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/srv/reproducible-results/rbuild-debian/r-b-build.LdjzBkvH/b1/ball_1.5.0+git20180813.37fc53c-11_i386.changes vs.
/srv/reproducible-results/rbuild-debian/r-b-build.LdjzBkvH/b2/ball_1.5.0+git20180813.37fc53c-11_i386.changes
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2 ·c1610b954de25298300251f49d56c414·201036·science·optional·ballview_1.5.0+git20180813.37fc53c-11_i386.deb2 ·c1610b954de25298300251f49d56c414·201036·science·optional·ballview_1.5.0+git20180813.37fc53c-11_i386.deb
3 ·b21d5cfa34c35bf0a53bfb413f874606·21080208·science·optional·libball1.5-data_1.5.0+git20180813.37fc53c-11_all.deb3 ·b21d5cfa34c35bf0a53bfb413f874606·21080208·science·optional·libball1.5-data_1.5.0+git20180813.37fc53c-11_all.deb
4 ·6f3553e30e2286084e0b89468fc8b3e6·74868392·debug·optional·libball1.5-dbgsym_1.5.0+git20180813.37fc53c-11_i386.deb4 ·6f3553e30e2286084e0b89468fc8b3e6·74868392·debug·optional·libball1.5-dbgsym_1.5.0+git20180813.37fc53c-11_i386.deb
5 ·056a238f3455c6f7b691aa9998fb975b·534280·libdevel·optional·libball1.5-dev_1.5.0+git20180813.37fc53c-11_i386.deb5 ·948cab7b74cffccd95534601f6189e43·534380·libdevel·optional·libball1.5-dev_1.5.0+git20180813.37fc53c-11_i386.deb
6 ·d47a7f2d16ce6c383ea1d560b412fcf2·9047852·doc·optional·libball1.5-doc_1.5.0+git20180813.37fc53c-11_all.deb6 ·04200f194ab2a687377445ad63ee4430·9060356·doc·optional·libball1.5-doc_1.5.0+git20180813.37fc53c-11_all.deb
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9 ·980fc2d21fe965004c14c88632ad736f·144860·libdevel·optional·libballview1.5-dev_1.5.0+git20180813.37fc53c-11_i386.deb9 ·980fc2d21fe965004c14c88632ad736f·144860·libdevel·optional·libballview1.5-dev_1.5.0+git20180813.37fc53c-11_i386.deb
10 ·b07bf552fb0ab68fb82f9b0d57881998·1471092·libs·optional·libballview1.5_1.5.0+git20180813.37fc53c-11_i386.deb10 ·b07bf552fb0ab68fb82f9b0d57881998·1471092·libs·optional·libballview1.5_1.5.0+git20180813.37fc53c-11_i386.deb
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libball1.5-dev_1.5.0+git20180813.37fc53c-11_i386.deb
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57 -rw-r--r--···0·root·········(0)·root·········(0)······199·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/sources.cmake57 -rw-r--r--···0·root·········(0)·root·········(0)······199·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/sources.cmake
58 -rw-r--r--···0·root·········(0)·root·········(0)·····1102·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/stdIteratorWrapper.h58 -rw-r--r--···0·root·········(0)·root·········(0)·····1102·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/stdIteratorWrapper.h
59 -rw-r--r--···0·root·········(0)·root·········(0)·····7944·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/textPersistenceManager.h59 -rw-r--r--···0·root·········(0)·root·········(0)·····7944·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/textPersistenceManager.h
60 -rw-r--r--···0·root·········(0)·root·········(0)·····5926·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/timeStamp.h60 -rw-r--r--···0·root·········(0)·root·········(0)·····5926·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/timeStamp.h
61 -rw-r--r--···0·root·········(0)·root·········(0)·····2388·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/timeStamp.iC61 -rw-r--r--···0·root·········(0)·root·········(0)·····2388·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/timeStamp.iC
62 -rw-r--r--···0·root·········(0)·root·········(0)·····1140·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/visitor.h62 -rw-r--r--···0·root·········(0)·root·········(0)·····1140·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/visitor.h
63 drwxr-xr-x···0·root·········(0)·root·········(0)········0·2022-12-21·15:46:23.000000·./usr/include/BALL/CONFIG/63 drwxr-xr-x···0·root·········(0)·root·········(0)········0·2022-12-21·15:46:23.000000·./usr/include/BALL/CONFIG/
64 -rw-r--r--···0·root·········(0)·root·········(0)·····7677·2022-12-21·15:46:23.000000·./usr/include/BALL/CONFIG/config.h64 -rw-r--r--···0·root·········(0)·root·········(0)·····7681·2022-12-21·15:46:23.000000·./usr/include/BALL/CONFIG/config.h
65 -rw-r--r--···0·root·········(0)·root·········(0)······198·2022-12-21·15:46:23.000000·./usr/include/BALL/CONFIG/sources.cmake65 -rw-r--r--···0·root·········(0)·root·········(0)······198·2022-12-21·15:46:23.000000·./usr/include/BALL/CONFIG/sources.cmake
66 drwxr-xr-x···0·root·········(0)·root·········(0)········0·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/66 drwxr-xr-x···0·root·········(0)·root·········(0)········0·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/
67 drwxr-xr-x···0·root·········(0)·root·········(0)········0·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/GRAPH/67 drwxr-xr-x···0·root·········(0)·root·········(0)········0·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/GRAPH/
68 -rw-r--r--···0·root·········(0)·root·········(0)····12697·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/GRAPH/graphAlgorithms.h68 -rw-r--r--···0·root·········(0)·root·········(0)····12697·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/GRAPH/graphAlgorithms.h
69 -rw-r--r--···0·root·········(0)·root·········(0)·····2907·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/GRAPH/molecularGraph.h69 -rw-r--r--···0·root·········(0)·root·········(0)·····2907·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/GRAPH/molecularGraph.h
70 -rw-r--r--···0·root·········(0)·root·········(0)······206·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/GRAPH/sources.cmake70 -rw-r--r--···0·root·········(0)·root·········(0)······206·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/GRAPH/sources.cmake
71 -rw-r--r--···0·root·········(0)·root·········(0)····18733·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/GRAPH/treeWidth.h71 -rw-r--r--···0·root·········(0)·root·········(0)····18733·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/GRAPH/treeWidth.h
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./usr/include/BALL/CONFIG/config.h
    
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21 #define·BALL_RELEASE_STRING·"1.5.0"21 #define·BALL_RELEASE_STRING·"1.5.0"
  
22 //·The·path·to·the·directory·where·BALL·is·installed.22 //·The·path·to·the·directory·where·BALL·is·installed.
23 #define·BALL_PATH·"/usr"23 #define·BALL_PATH·"/usr"
24 #define·BALL_DATA_PATH·"/usr/share/BALL-1.5/data"24 #define·BALL_DATA_PATH·"/usr/share/BALL-1.5/data"
  
25 //·The·string·describes·the·binary·format.25 //·The·string·describes·the·binary·format.
26 #define·BALL_BINFMT·"Linux-i686"26 #define·BALL_BINFMT·"Linux-x86_64"
  
27 //·The·processor·architecture27 //·The·processor·architecture
28 #define·BALL_ARCH·"i686"28 #define·BALL_ARCH·"x86_64"
  
29 //·The·operating·system29 //·The·operating·system
30 #define·BALL_OS·"Linux"30 #define·BALL_OS·"Linux"
  
31 //·Some·convenient·shortcuts·for·operating·systems·we·often·encounter31 //·Some·convenient·shortcuts·for·operating·systems·we·often·encounter
32 //·NOTE:·we'd·like·to·deprecate·these,·so·try·using·BALL_OS·instead32 //·NOTE:·we'd·like·to·deprecate·these,·so·try·using·BALL_OS·instead
33 //·whenever·possible33 //·whenever·possible
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88.7 MB
libball1.5-doc_1.5.0+git20180813.37fc53c-11_all.deb
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1 -rw-r--r--···0········0········0········4·2022-12-21·15:46:23.000000·debian-binary1 -rw-r--r--···0········0········0········4·2022-12-21·15:46:23.000000·debian-binary
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control.tar.xz
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control.tar
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./control
    
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1 Package:·libball1.5-doc1 Package:·libball1.5-doc
2 Source:·ball2 Source:·ball
3 Version:·1.5.0+git20180813.37fc53c-113 Version:·1.5.0+git20180813.37fc53c-11
4 Architecture:·all4 Architecture:·all
5 Maintainer:·Debian·Med·Packaging·Team·<debian-med-packaging@lists.alioth.debian.org>5 Maintainer:·Debian·Med·Packaging·Team·<debian-med-packaging@lists.alioth.debian.org>
6 Installed-Size:·1292516 Installed-Size:·129246
7 Depends:·libjs-jquery7 Depends:·libjs-jquery
8 Suggests:·libball1.58 Suggests:·libball1.5
9 Conflicts:·libball1.3-doc,·libball1.4-doc9 Conflicts:·libball1.3-doc,·libball1.4-doc
10 Section:·doc10 Section:·doc
11 Priority:·optional11 Priority:·optional
12 Multi-Arch:·foreign12 Multi-Arch:·foreign
13 Homepage:·http://www.ball-project.org/13 Homepage:·http://www.ball-project.org/
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./md5sums
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./usr/share/doc/libball1.5/html/BALL/d0/d00/a01286.html
    
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1 <!DOCTYPE·html·PUBLIC·"-//W3C//DTD·XHTML·1.0·Transitional//EN"·"https://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">1 <!DOCTYPE·html·PUBLIC·"-//W3C//DTD·XHTML·1.0·Transitional//EN"·"https://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">
2 <html·xmlns="http://www.w3.org/1999/xhtml">2 <html·xmlns="http://www.w3.org/1999/xhtml">
3 <head>3 <head>
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5 <meta·http-equiv="X-UA-Compatible"·content="IE=11"/>5 <meta·http-equiv="X-UA-Compatible"·content="IE=11"/>
6 <meta·name="generator"·content="Doxygen·1.9.4"/>6 <meta·name="generator"·content="Doxygen·1.9.4"/>
7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·raytraceableContourSurfaceDialog.h·File·Reference</title>8 <title>BALL:·dockProgressDialog.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>
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65 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>65 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
66 </div>66 </div>
67 </div><!--·top·-->67 </div><!--·top·-->
68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="#namespaces">Namespaces</a>··</div>71 <a·href="#namespaces">Namespaces</a>··</div>
72 ··<div·class="headertitle"><div·class="title">raytraceableContourSurfaceDialog.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">dockProgressDialog.h·File·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d2/d41/a01493_source.html">BALL/VIEW/DATATYPE/raytraceableGrid.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
79 <code>#include·&lt;BALL/VIEW/UIC/ui_raytraceableContourSurfaceDialog.h&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a01565_source.html">BALL/DOCKING/COMMON/dockingAlgorithm.h</a>&gt;</code><br·/>
80 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>78 <code>#include·&lt;QtCore/QTimer&gt;</code><br·/>
 79 <code>#include·&lt;QtCore/QDateTime&gt;</code><br·/>
 80 <code>#include·&lt;BALL/VIEW/UIC/ui_dockProgressDialog.h&gt;</code><br·/>
81 </div>81 </div>
82 <p><a·href="../../d0/d00/a01286_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../d0/d00/a01286_source.html">Go·to·the·source·code·of·this·file.</a></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
85 Classes</h2></td></tr>85 Classes</h2></td></tr>
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d40/a07714.html">BALL::VIEW::RaytraceableContourSurfaceDialog</a></td></tr>86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dd3/a07574.html">BALL::VIEW::DockProgressDialog</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table><table·class="memberdecls">88 </table><table·class="memberdecls">
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90 Namespaces</h2></td></tr>90 Namespaces</h2></td></tr>
91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>93 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="../../d5/d6c/a08471.html">List·of·all·members</a>··</div>72 <a·href="../../d5/d6c/a08471.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DoubleEditorWidget·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DoubleEditorWidget·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d7/def/a01538_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::DoubleEditorWidget:</div>78 Inheritance·diagram·for·BALL::VIEW::DoubleEditorWidget:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d0/d06/a08474.png"·usemap="#BALL::VIEW::DoubleEditorWidget_map"·alt=""/>81 ··<img·src="../../d0/d06/a08474.png"·usemap="#BALL::VIEW::DoubleEditorWidget_map"·alt=""/>
82 ··<map·id="BALL::VIEW::DoubleEditorWidget_map"·name="BALL::VIEW::DoubleEditorWidget_map">82 ··<map·id="BALL::VIEW::DoubleEditorWidget_map"·name="BALL::VIEW::DoubleEditorWidget_map">
83 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,197,80"/>83 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,197,80"/>
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137 <tr·class="memitem:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a46403e234f863163cb9af4c8641d036b">name_</a></td></tr>137 <tr·class="memitem:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a46403e234f863163cb9af4c8641d036b">name_</a></td></tr>
138 <tr·class="separator:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>139 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>
140 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock">143 <div·class="textblock">
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00188">188</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">propertyEditor.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00188">188</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="aed3881868bc0b926f5d1e458ebee73e9"·name="aed3881868bc0b926f5d1e458ebee73e9"></a>146 <a·id="aed3881868bc0b926f5d1e458ebee73e9"·name="aed3881868bc0b926f5d1e458ebee73e9"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#aed3881868bc0b926f5d1e458ebee73e9">&#9670;&nbsp;</a></span>DoubleEditorWidget()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#aed3881868bc0b926f5d1e458ebee73e9">&#9670;&nbsp;</a></span>DoubleEditorWidget()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
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8 <title>BALL:·charmm.doc·File·Reference</title>8 <title>BALL:·persistenceManager.h·File·Reference</title>
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59 ········name="MSearchResults"·id="MSearchResults">59 ········name="MSearchResults"·id="MSearchResults">
60 </iframe>60 </iframe>
61 </div>61 </div>
  
 62 <div·id="nav-path"·class="navpath">
 63 ··<ul>
 64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
 65 </div>
62 </div><!--·top·-->66 </div><!--·top·-->
63 <div·class="header">67 <div·class="header">
 68 ··<div·class="summary">
 69 <a·href="#nested-classes">Classes</a>·&#124;
 70 <a·href="#namespaces">Namespaces</a>·&#124;
 71 <a·href="#define-members">Macros</a>··</div>
64 ··<div·class="headertitle"><div·class="title">charmm.doc·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">persistenceManager.h·File·Reference</div></div>
65 </div><!--header-->73 </div><!--header-->
66 <div·class="contents">74 <div·class="contents">
 75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d2a/a00632_source.html">BALL/COMMON/rtti.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d5/d12/a00794_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 81 <code>#include·&lt;fstream&gt;</code><br·/>
 82 <code>#include·&lt;iomanip&gt;</code><br·/>
 83 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/>
 84 <code>#include·&lt;BALL/CONCEPT/persistenceManager.iC&gt;</code><br·/>
 85 </div>
 86 <p><a·href="../../d0/d11/a00842_source.html">Go·to·the·source·code·of·this·file.</a></p>
 87 <table·class="memberdecls">
 88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
 89 Classes</h2></td></tr>
 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d2e/a03310.html">BALL::PersistenceManager</a></td></tr>
 91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 92 </table><table·class="memberdecls">
 93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
 94 Namespaces</h2></td></tr>
 95 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
 96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 </table><table·class="memberdecls">
 98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>
 99 Macros</h2></td></tr>
 100 <tr·class="memitem:a4f11bd086597d38ec0ce75a42091d183"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d11/a00842.html#a4f11bd086597d38ec0ce75a42091d183">BALL_WRITE_PRIMITIVE_MEMBER</a>(pm,··x)&#160;&#160;&#160;pm.writePrimitive(x,#x)</td></tr>
 101 <tr·class="separator:a4f11bd086597d38ec0ce75a42091d183"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 102 <tr·class="memitem:a1d24e0e0b93c3d77450b876f03ff92dc"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d11/a00842.html#a1d24e0e0b93c3d77450b876f03ff92dc">BALL_READ_PRIMITIVE_MEMBER</a>(pm,··x)&#160;&#160;&#160;pm.readPrimitive(x,#x)</td></tr>
 103 <tr·class="separator:a1d24e0e0b93c3d77450b876f03ff92dc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 104 </table>
 105 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 106 <a·id="a1d24e0e0b93c3d77450b876f03ff92dc"·name="a1d24e0e0b93c3d77450b876f03ff92dc"></a>
 107 <h2·class="memtitle"><span·class="permalink"><a·href="#a1d24e0e0b93c3d77450b876f03ff92dc">&#9670;&nbsp;</a></span>BALL_READ_PRIMITIVE_MEMBER</h2>
  
 108 <div·class="memitem">
 109 <div·class="memproto">
 110 ······<table·class="memname">
 111 ········<tr>
 112 ··········<td·class="memname">#define·BALL_READ_PRIMITIVE_MEMBER</td>
 113 ··········<td>(</td>
 114 ··········<td·class="paramtype">&#160;</td>
 115 ··········<td·class="paramname">pm,·</td>
 116 ········</tr>
 117 ········<tr>
 118 ··········<td·class="paramkey"></td>
 119 ··········<td></td>
 120 ··········<td·class="paramtype">&#160;</td>
 121 ··········<td·class="paramname">x&#160;</td>
 122 ········</tr>
 123 ········<tr>
 124 ··········<td></td>
 125 ··········<td>)</td>
 126 ··········<td></td><td>&#160;&#160;&#160;pm.readPrimitive(x,#x)</td>
 127 ········</tr>
 128 ······</table>
 129 </div><div·class="memdoc">
  
 130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d11/a00842_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d0/d11/a00842_source.html">persistenceManager.h</a>.</p>
  
 131 </div>
 132 </div>
 133 <a·id="a4f11bd086597d38ec0ce75a42091d183"·name="a4f11bd086597d38ec0ce75a42091d183"></a>
 134 <h2·class="memtitle"><span·class="permalink"><a·href="#a4f11bd086597d38ec0ce75a42091d183">&#9670;&nbsp;</a></span>BALL_WRITE_PRIMITIVE_MEMBER</h2>
  
 135 <div·class="memitem">
 136 <div·class="memproto">
 137 ······<table·class="memname">
 138 ········<tr>
 139 ··········<td·class="memname">#define·BALL_WRITE_PRIMITIVE_MEMBER</td>
 140 ··········<td>(</td>
 141 ··········<td·class="paramtype">&#160;</td>
 142 ··········<td·class="paramname">pm,·</td>
 143 ········</tr>
 144 ········<tr>
 145 ··········<td·class="paramkey"></td>
 146 ··········<td></td>
 147 ··········<td·class="paramtype">&#160;</td>
 148 ··········<td·class="paramname">x&#160;</td>
 149 ········</tr>
 150 ········<tr>
 151 ··········<td></td>
 152 ··········<td>)</td>
 153 ··········<td></td><td>&#160;&#160;&#160;pm.writePrimitive(x,#x)</td>
 154 ········</tr>
 155 ······</table>
 156 </div><div·class="memdoc">
  
 157 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d11/a00842_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d0/d11/a00842_source.html">persistenceManager.h</a>.</p>
  
 158 </div>
 159 </div>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../db/d18/a05383.html">List·of·all·members</a>··</div>71 <a·href="../../db/d18/a05383.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::LennardJones::Values·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::LennardJones::Values·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d8b/a00821_source.html">BALL/MOLMEC/PARAMETER/lennardJones.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d3/df8/a00155_source.html">BALL/MOLMEC/PARAMETER/lennardJones.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:aa36b3f484d171989ae1d99a9c9a35b22"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d12/a05386.html#aa36b3f484d171989ae1d99a9c9a35b22">A</a></td></tr>79 <tr·class="memitem:aa36b3f484d171989ae1d99a9c9a35b22"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d12/a05386.html#aa36b3f484d171989ae1d99a9c9a35b22">A</a></td></tr>
80 <tr·class="separator:aa36b3f484d171989ae1d99a9c9a35b22"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:aa36b3f484d171989ae1d99a9c9a35b22"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a4aac64d3dc5d8a1d5ebacf85fb1dba48"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d12/a05386.html#a4aac64d3dc5d8a1d5ebacf85fb1dba48">B</a></td></tr>81 <tr·class="memitem:a4aac64d3dc5d8a1d5ebacf85fb1dba48"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d12/a05386.html#a4aac64d3dc5d8a1d5ebacf85fb1dba48">B</a></td></tr>
82 <tr·class="separator:a4aac64d3dc5d8a1d5ebacf85fb1dba48"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a4aac64d3dc5d8a1d5ebacf85fb1dba48"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock">85 <div·class="textblock">
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8b/a00821_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d6/d8b/a00821_source.html">lennardJones.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/df8/a00155_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d3/df8/a00155_source.html">lennardJones.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="aa36b3f484d171989ae1d99a9c9a35b22"·name="aa36b3f484d171989ae1d99a9c9a35b22"></a>88 <a·id="aa36b3f484d171989ae1d99a9c9a35b22"·name="aa36b3f484d171989ae1d99a9c9a35b22"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#aa36b3f484d171989ae1d99a9c9a35b22">&#9670;&nbsp;</a></span>A</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#aa36b3f484d171989ae1d99a9c9a35b22">&#9670;&nbsp;</a></span>A</h2>
  
90 <div·class="memitem">90 <div·class="memitem">
91 <div·class="memproto">91 <div·class="memproto">
92 ······<table·class="memname">92 ······<table·class="memname">
93 ········<tr>93 ········<tr>
94 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::LennardJones::Values::A</td>94 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::LennardJones::Values::A</td>
95 ········</tr>95 ········</tr>
96 ······</table>96 ······</table>
97 </div><div·class="memdoc">97 </div><div·class="memdoc">
  
98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8b/a00821_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../d6/d8b/a00821_source.html">lennardJones.h</a>.</p>98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/df8/a00155_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../d3/df8/a00155_source.html">lennardJones.h</a>.</p>
  
99 </div>99 </div>
100 </div>100 </div>
101 <a·id="a4aac64d3dc5d8a1d5ebacf85fb1dba48"·name="a4aac64d3dc5d8a1d5ebacf85fb1dba48"></a>101 <a·id="a4aac64d3dc5d8a1d5ebacf85fb1dba48"·name="a4aac64d3dc5d8a1d5ebacf85fb1dba48"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#a4aac64d3dc5d8a1d5ebacf85fb1dba48">&#9670;&nbsp;</a></span>B</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#a4aac64d3dc5d8a1d5ebacf85fb1dba48">&#9670;&nbsp;</a></span>B</h2>
  
103 <div·class="memitem">103 <div·class="memitem">
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110 ······<table·class="memname">110 ······<table·class="memname">
111 ········<tr>111 ········<tr>
112 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::LennardJones::Values::B</td>112 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::LennardJones::Values::B</td>
113 ········</tr>113 ········</tr>
114 ······</table>114 ······</table>
115 </div><div·class="memdoc">115 </div><div·class="memdoc">
  
116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8b/a00821_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../d6/d8b/a00821_source.html">lennardJones.h</a>.</p>116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/df8/a00155_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../d3/df8/a00155_source.html">lennardJones.h</a>.</p>
  
117 </div>117 </div>
118 </div>118 </div>
119 </div><!--·contents·-->119 </div><!--·contents·-->
120 <!--·start·footer·part·-->120 <!--·start·footer·part·-->
121 <hr·class="footer"/><address·class="footer"><small>121 <hr·class="footer"/><address·class="footer"><small>
122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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98 ········<tr>98 ········<tr>
99 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../de/db6/a03826.html">EnergyProcessor</a>*&gt;·<a·class="el"·href="../../d0/d13/a02139.html#ga808e2bd9a407e4eef17cc493303bbbad">BALL::EnergyProcessorList</a></td>99 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../de/db6/a03826.html">EnergyProcessor</a>*&gt;·<a·class="el"·href="../../d0/d13/a02139.html#ga808e2bd9a407e4eef17cc493303bbbad">BALL::EnergyProcessorList</a></td>
100 ········</tr>100 ········</tr>
101 ······</table>101 ······</table>
102 </div><div·class="memdoc">102 </div><div·class="memdoc">
103 <p·>EnergyProcessorList·</p>103 <p·>EnergyProcessorList·</p>
  
104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d76/a00992_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d7/d76/a00992_source.html">composedEnergyProcessor.h</a>.</p>104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d99/a01901_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d5/d99/a01901_source.html">composedEnergyProcessor.h</a>.</p>
  
105 </div>105 </div>
106 </div>106 </div>
107 <h2·class="groupheader">Function·Documentation</h2>107 <h2·class="groupheader">Function·Documentation</h2>
108 <a·id="ga8cb2233419a5e4c9e52e1d1ac34e1c7e"·name="ga8cb2233419a5e4c9e52e1d1ac34e1c7e"></a>108 <a·id="ga8cb2233419a5e4c9e52e1d1ac34e1c7e"·name="ga8cb2233419a5e4c9e52e1d1ac34e1c7e"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#ga8cb2233419a5e4c9e52e1d1ac34e1c7e">&#9670;&nbsp;</a></span>calculateACE()</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#ga8cb2233419a5e4c9e52e1d1ac34e1c7e">&#9670;&nbsp;</a></span>calculateACE()</h2>
  
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73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
74 <a·href="#friends">Friends</a>·&#124;74 <a·href="#friends">Friends</a>·&#124;
75 <a·href="../../d8/d12/a07515.html">List·of·all·members</a>··</div>75 <a·href="../../d8/d12/a07515.html">List·of·all·members</a>··</div>
76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::AmberConfigurationDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::AmberConfigurationDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
77 </div><!--header-->77 </div><!--header-->
78 <div·class="contents">78 <div·class="contents">
  
79 <p><code>#include·&lt;<a·class="el"·href="../../d5/df4/a01322_source.html">BALL/VIEW/DIALOGS/amberConfigurationDialog.h</a>&gt;</code></p>79 <p><code>#include·&lt;<a·class="el"·href="../../d8/d7a/a01292_source.html">BALL/VIEW/DIALOGS/amberConfigurationDialog.h</a>&gt;</code></p>
80 <div·class="dynheader">80 <div·class="dynheader">
81 Inheritance·diagram·for·BALL::VIEW::AmberConfigurationDialog:</div>81 Inheritance·diagram·for·BALL::VIEW::AmberConfigurationDialog:</div>
82 <div·class="dyncontent">82 <div·class="dyncontent">
83 ·<div·class="center">83 ·<div·class="center">
84 ··<img·src="../../d0/d13/a07518.png"·usemap="#BALL::VIEW::AmberConfigurationDialog_map"·alt=""/>84 ··<img·src="../../d0/d13/a07518.png"·usemap="#BALL::VIEW::AmberConfigurationDialog_map"·alt=""/>
85 ··<map·id="BALL::VIEW::AmberConfigurationDialog_map"·name="BALL::VIEW::AmberConfigurationDialog_map">85 ··<map·id="BALL::VIEW::AmberConfigurationDialog_map"·name="BALL::VIEW::AmberConfigurationDialog_map">
86 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,235,24"/>86 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,235,24"/>
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214 <tr·class="separator:afcd01733c038e845ad6fb5e284e89238·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>214 <tr·class="separator:afcd01733c038e845ad6fb5e284e89238·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
215 <tr·class="memitem:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d3d/a07926.html#a257b5f0e49b1f24294c315d4d7363693">StackPages</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ab7942bdf4c88f10d41eec3aa452bbed5">stack_pages_</a></td></tr>215 <tr·class="memitem:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d3d/a07926.html#a257b5f0e49b1f24294c315d4d7363693">StackPages</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ab7942bdf4c88f10d41eec3aa452bbed5">stack_pages_</a></td></tr>
216 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>216 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
217 </table>217 </table>
218 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>218 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
219 <div·class="textblock"><p·>Dialog·for·changing·the·options·of·the·AMBER·forcefield·</p>219 <div·class="textblock"><p·>Dialog·for·changing·the·options·of·the·AMBER·forcefield·</p>
  
220 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/df4/a01322_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d5/df4/a01322_source.html">amberConfigurationDialog.h</a>.</p>220 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d7a/a01292_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d8/d7a/a01292_source.html">amberConfigurationDialog.h</a>.</p>
221 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>221 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
222 <a·id="a74bbea4b0298d478df80ecc0c17a3ad1"·name="a74bbea4b0298d478df80ecc0c17a3ad1"></a>222 <a·id="a74bbea4b0298d478df80ecc0c17a3ad1"·name="a74bbea4b0298d478df80ecc0c17a3ad1"></a>
223 <h2·class="memtitle"><span·class="permalink"><a·href="#a74bbea4b0298d478df80ecc0c17a3ad1">&#9670;&nbsp;</a></span>AmberConfigurationDialog()</h2>223 <h2·class="memtitle"><span·class="permalink"><a·href="#a74bbea4b0298d478df80ecc0c17a3ad1">&#9670;&nbsp;</a></span>AmberConfigurationDialog()</h2>
  
224 <div·class="memitem">224 <div·class="memitem">
225 <div·class="memproto">225 <div·class="memproto">
226 ······<table·class="memname">226 ······<table·class="memname">
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499 ··</td>499 ··</td>
500 ··<td·class="mlabels-right">500 ··<td·class="mlabels-right">
501 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>501 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
502 ··</tr>502 ··</tr>
503 </table>503 </table>
504 </div><div·class="memdoc">504 </div><div·class="memdoc">
  
505 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/df4/a01322_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d5/df4/a01322_source.html">amberConfigurationDialog.h</a>.</p>505 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d7a/a01292_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d8/d7a/a01292_source.html">amberConfigurationDialog.h</a>.</p>
  
506 </div>506 </div>
507 </div>507 </div>
508 </div><!--·contents·-->508 </div><!--·contents·-->
509 <!--·start·footer·part·-->509 <!--·start·footer·part·-->
510 <hr·class="footer"/><address·class="footer"><small>510 <hr·class="footer"/><address·class="footer"><small>
511 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4511 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d2/de6/a06355.html">List·of·all·members</a>··</div>71 <a·href="../../d2/de6/a06355.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::RotationalEntropy·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::RotationalEntropy·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dd0/a00191_source.html">BALL/SCORING/COMPONENTS/rotationalEntropy.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/dbe/a02084_source.html">BALL/SCORING/COMPONENTS/rotationalEntropy.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::RotationalEntropy:</div>77 Inheritance·diagram·for·BALL::RotationalEntropy:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d0/d14/a06358.png"·usemap="#BALL::RotationalEntropy_map"·alt=""/>80 ··<img·src="../../d0/d14/a06358.png"·usemap="#BALL::RotationalEntropy_map"·alt=""/>
81 ··<map·id="BALL::RotationalEntropy_map"·name="BALL::RotationalEntropy_map">81 ··<map·id="BALL::RotationalEntropy_map"·name="BALL::RotationalEntropy_map">
82 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>82 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
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179 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>179 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>
180 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>180 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
181 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>181 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
182 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>182 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
183 </table>183 </table>
184 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>184 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
185 <div·class="textblock">185 <div·class="textblock">
186 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd0/a00191_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d9/dd0/a00191_source.html">rotationalEntropy.h</a>.</p>186 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dbe/a02084_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../da/dbe/a02084_source.html">rotationalEntropy.h</a>.</p>
187 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>187 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
188 <a·id="a0656afed140a912c53a35800627bf846"·name="a0656afed140a912c53a35800627bf846"></a>188 <a·id="a0656afed140a912c53a35800627bf846"·name="a0656afed140a912c53a35800627bf846"></a>
189 <h2·class="memtitle"><span·class="permalink"><a·href="#a0656afed140a912c53a35800627bf846">&#9670;&nbsp;</a></span>RotationalEntropy()</h2>189 <h2·class="memtitle"><span·class="permalink"><a·href="#a0656afed140a912c53a35800627bf846">&#9670;&nbsp;</a></span>RotationalEntropy()</h2>
  
190 <div·class="memitem">190 <div·class="memitem">
191 <div·class="memproto">191 <div·class="memproto">
192 ······<table·class="memname">192 ······<table·class="memname">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../d8/d9b/a04067.html">List·of·all·members</a>··</div>72 <a·href="../../d8/d9b/a04067.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::NMRStarFile::NMRSpectrometer·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::NMRStarFile::NMRSpectrometer·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
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178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00431">431</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">NMRStarFile.h</a>.</p>178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d40/a00959_source.html#l00431">431</a>·of·file·<a·class="el"·href="../../db/d40/a00959_source.html">NMRStarFile.h</a>.</p>
  
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69 ··<div·class="summary">69 ··<div·class="summary">
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72 ··<div·class="headertitle"><div·class="title">BALL::StrangLBFGSMinimizer::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::StrangLBFGSMinimizer::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../df/d4c/a00851_source.html">BALL/MOLMEC/MINIMIZATION/strangLBFGS.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/MOLMEC/MINIMIZATION/strangLBFGS.h</a>&gt;</code></p>
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83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock"><p·>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../d8/d35/a05178.html#a96b309d96054f91c2ee6b631ae9dacb7">StrangLBFGSMinimizer::options</a>.·</p><dl·class="section·user"><dt></dt><dd>For·each·symbol·the·required·type·is·given·under·parameters.·</dd></dl>85 <div·class="textblock"><p·>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../d8/d35/a05178.html#a96b309d96054f91c2ee6b631ae9dacb7">StrangLBFGSMinimizer::options</a>.·</p><dl·class="section·user"><dt></dt><dd>For·each·symbol·the·required·type·is·given·under·parameters.·</dd></dl>
  
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109 <p·>Should·the·improved·version·be·used?·</p>109 <p·>Should·the·improved·version·be·used?·</p>
  
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111 </div>111 </div>
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115 <div·class="memitem">115 <div·class="memitem">
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134 <p·>Maximum·number·of·stored·vector·pairs·</p>134 <p·>Maximum·number·of·stored·vector·pairs·</p>
  
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../d2/dc3/a06951.html">List·of·all·members</a>··</div>71 <a·href="../../d2/dc3/a06951.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::HybridisationProcessor::Method·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::HybridisationProcessor::Method·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../da/d36/a00650_source.html">BALL/STRUCTURE/hybridisationProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/d27/a01763_source.html">BALL/STRUCTURE/hybridisationProcessor.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
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78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:af522bf9a72e68d071d6d5ac9acb09a97"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d1d/a06954.html#af522bf9a72e68d071d6d5ac9acb09a97">SMART_MATCHING</a></td></tr>79 <tr·class="memitem:af522bf9a72e68d071d6d5ac9acb09a97"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d1d/a06954.html#af522bf9a72e68d071d6d5ac9acb09a97">SMART_MATCHING</a></td></tr>
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84 <tr·class="separator:ab5a118f59dc914e69df8fcd38ee37f73"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:ab5a118f59dc914e69df8fcd38ee37f73"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
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87 <div·class="textblock">87 <div·class="textblock">
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00094">94</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">hybridisationProcessor.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00094">94</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="ab5a118f59dc914e69df8fcd38ee37f73"·name="ab5a118f59dc914e69df8fcd38ee37f73"></a>90 <a·id="ab5a118f59dc914e69df8fcd38ee37f73"·name="ab5a118f59dc914e69df8fcd38ee37f73"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#ab5a118f59dc914e69df8fcd38ee37f73">&#9670;&nbsp;</a></span>FF_BASED</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#ab5a118f59dc914e69df8fcd38ee37f73">&#9670;&nbsp;</a></span>FF_BASED</h2>
  
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105 ··<td·class="mlabels-right">105 ··<td·class="mlabels-right">
106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
107 ··</tr>107 ··</tr>
108 </table>108 </table>
109 </div><div·class="memdoc">109 </div><div·class="memdoc">
  
110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00098">98</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">hybridisationProcessor.h</a>.</p>110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00098">98</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
  
111 </div>111 </div>
112 </div>112 </div>
113 <a·id="af522bf9a72e68d071d6d5ac9acb09a97"·name="af522bf9a72e68d071d6d5ac9acb09a97"></a>113 <a·id="af522bf9a72e68d071d6d5ac9acb09a97"·name="af522bf9a72e68d071d6d5ac9acb09a97"></a>
114 <h2·class="memtitle"><span·class="permalink"><a·href="#af522bf9a72e68d071d6d5ac9acb09a97">&#9670;&nbsp;</a></span>SMART_MATCHING</h2>114 <h2·class="memtitle"><span·class="permalink"><a·href="#af522bf9a72e68d071d6d5ac9acb09a97">&#9670;&nbsp;</a></span>SMART_MATCHING</h2>
  
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131 ··</tr>131 ··</tr>
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133 </div><div·class="memdoc">133 </div><div·class="memdoc">
  
134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">hybridisationProcessor.h</a>.</p>134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
  
135 </div>135 </div>
136 </div>136 </div>
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138 <h2·class="memtitle"><span·class="permalink"><a·href="#a40e55a4b32da8c525691213017dbcf6e">&#9670;&nbsp;</a></span>STRUCTURE_BASED</h2>138 <h2·class="memtitle"><span·class="permalink"><a·href="#a40e55a4b32da8c525691213017dbcf6e">&#9670;&nbsp;</a></span>STRUCTURE_BASED</h2>
  
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72 ··<div·class="headertitle"><div·class="title">BALL::HybridisationProcessor::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::HybridisationProcessor::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../d0/d21/a06946.html"·title="Option·names.">Option</a>·names.··75 <p><a·class="el"·href="../../d0/d21/a06946.html"·title="Option·names.">Option</a>·names.··
76 ·<a·href="../../d0/d21/a06946.html#details">More...</a></p>76 ·<a·href="../../d0/d21/a06946.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../da/d36/a00650_source.html">BALL/STRUCTURE/hybridisationProcessor.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d9/d27/a01763_source.html">BALL/STRUCTURE/hybridisationProcessor.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
80 Static·Public·Attributes</h2></td></tr>80 Static·Public·Attributes</h2></td></tr>
81 <tr·class="memitem:aad47ae6b0d188e669c347e41e66e5565"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d21/a06946.html#aad47ae6b0d188e669c347e41e66e5565">ATOM_TYPE_SMARTS_FILENAME</a></td></tr>81 <tr·class="memitem:aad47ae6b0d188e669c347e41e66e5565"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d21/a06946.html#aad47ae6b0d188e669c347e41e66e5565">ATOM_TYPE_SMARTS_FILENAME</a></td></tr>
82 <tr·class="separator:aad47ae6b0d188e669c347e41e66e5565"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:aad47ae6b0d188e669c347e41e66e5565"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a44a63be63447a6957ed1c8596d33f624"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d21/a06946.html#a44a63be63447a6957ed1c8596d33f624">ATOM_TYPE_FF_FILENAME</a></td></tr>83 <tr·class="memitem:a44a63be63447a6957ed1c8596d33f624"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d21/a06946.html#a44a63be63447a6957ed1c8596d33f624">ATOM_TYPE_FF_FILENAME</a></td></tr>
84 <tr·class="separator:a44a63be63447a6957ed1c8596d33f624"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a44a63be63447a6957ed1c8596d33f624"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 <tr·class="memitem:a409e0bf7f99a80a00a3366901f2eee5d"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d21/a06946.html#a409e0bf7f99a80a00a3366901f2eee5d">METHOD</a></td></tr>85 <tr·class="memitem:a409e0bf7f99a80a00a3366901f2eee5d"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d21/a06946.html#a409e0bf7f99a80a00a3366901f2eee5d">METHOD</a></td></tr>
86 <tr·class="separator:a409e0bf7f99a80a00a3366901f2eee5d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:a409e0bf7f99a80a00a3366901f2eee5d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table>87 </table>
88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
89 <div·class="textblock"><p·><a·class="el"·href="../../d0/d21/a06946.html"·title="Option·names.">Option</a>·names.·</p>89 <div·class="textblock"><p·><a·class="el"·href="../../d0/d21/a06946.html"·title="Option·names.">Option</a>·names.·</p>
  
90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">hybridisationProcessor.h</a>.</p>90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
91 </div><h2·class="groupheader">Member·Data·Documentation</h2>91 </div><h2·class="groupheader">Member·Data·Documentation</h2>
92 <a·id="a44a63be63447a6957ed1c8596d33f624"·name="a44a63be63447a6957ed1c8596d33f624"></a>92 <a·id="a44a63be63447a6957ed1c8596d33f624"·name="a44a63be63447a6957ed1c8596d33f624"></a>
93 <h2·class="memtitle"><span·class="permalink"><a·href="#a44a63be63447a6957ed1c8596d33f624">&#9670;&nbsp;</a></span>ATOM_TYPE_FF_FILENAME</h2>93 <h2·class="memtitle"><span·class="permalink"><a·href="#a44a63be63447a6957ed1c8596d33f624">&#9670;&nbsp;</a></span>ATOM_TYPE_FF_FILENAME</h2>
  
94 <div·class="memitem">94 <div·class="memitem">
95 <div·class="memproto">95 <div·class="memproto">
96 <table·class="mlabels">96 <table·class="mlabels">
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109 ··<td·class="mlabels-right">109 ··<td·class="mlabels-right">
110 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>110 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
111 ··</tr>111 ··</tr>
112 </table>112 </table>
113 </div><div·class="memdoc">113 </div><div·class="memdoc">
114 <p·>Name·to·the·file·where·the·atom·types,·corresponding·hybridisation·states,·and·bond·angles·are·stored·in·(force·field·based·method).·</p>114 <p·>Name·to·the·file·where·the·atom·types,·corresponding·hybridisation·states,·and·bond·angles·are·stored·in·(force·field·based·method).·</p>
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">hybridisationProcessor.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
  
116 </div>116 </div>
117 </div>117 </div>
118 <a·id="aad47ae6b0d188e669c347e41e66e5565"·name="aad47ae6b0d188e669c347e41e66e5565"></a>118 <a·id="aad47ae6b0d188e669c347e41e66e5565"·name="aad47ae6b0d188e669c347e41e66e5565"></a>
119 <h2·class="memtitle"><span·class="permalink"><a·href="#aad47ae6b0d188e669c347e41e66e5565">&#9670;&nbsp;</a></span>ATOM_TYPE_SMARTS_FILENAME</h2>119 <h2·class="memtitle"><span·class="permalink"><a·href="#aad47ae6b0d188e669c347e41e66e5565">&#9670;&nbsp;</a></span>ATOM_TYPE_SMARTS_FILENAME</h2>
  
120 <div·class="memitem">120 <div·class="memitem">
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134 ··<td·class="mlabels-right">134 ··<td·class="mlabels-right">
135 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>135 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
136 ··</tr>136 ··</tr>
137 </table>137 </table>
138 </div><div·class="memdoc">138 </div><div·class="memdoc">
139 <p·>Name·to·the·file·where·the·atom·types·and·corresponding·hybridisation·states·are·stored·in.·</p>139 <p·>Name·to·the·file·where·the·atom·types·and·corresponding·hybridisation·states·are·stored·in.·</p>
  
140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">hybridisationProcessor.h</a>.</p>140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
  
141 </div>141 </div>
142 </div>142 </div>
143 <a·id="a409e0bf7f99a80a00a3366901f2eee5d"·name="a409e0bf7f99a80a00a3366901f2eee5d"></a>143 <a·id="a409e0bf7f99a80a00a3366901f2eee5d"·name="a409e0bf7f99a80a00a3366901f2eee5d"></a>
144 <h2·class="memtitle"><span·class="permalink"><a·href="#a409e0bf7f99a80a00a3366901f2eee5d">&#9670;&nbsp;</a></span>METHOD</h2>144 <h2·class="memtitle"><span·class="permalink"><a·href="#a409e0bf7f99a80a00a3366901f2eee5d">&#9670;&nbsp;</a></span>METHOD</h2>
  
145 <div·class="memitem">145 <div·class="memitem">
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159 ··<td·class="mlabels-right">159 ··<td·class="mlabels-right">
160 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>160 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
161 ··</tr>161 ··</tr>
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163 </div><div·class="memdoc">163 </div><div·class="memdoc">
164 <p·>If·true,·the·existing·bonds·are·deleted·before·bonds·detection·begins.·If·the·atoms·are·in·non-bond·distance·no·bonds·will·be·build!·Note·that·the·processor·cannot·rebuild·inter-atomcontainer·bonds,·that·will·cause·problem·using·it·with·proteins.·Technique·to·compute·the·hybridisation·states.·</p>164 <p·>If·true,·the·existing·bonds·are·deleted·before·bonds·detection·begins.·If·the·atoms·are·in·non-bond·distance·no·bonds·will·be·build!·Note·that·the·processor·cannot·rebuild·inter-atomcontainer·bonds,·that·will·cause·problem·using·it·with·proteins.·Technique·to·compute·the·hybridisation·states.·</p>
  
165 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">hybridisationProcessor.h</a>.</p>165 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li><li·class="navelem"><a·class="el"·href="../../dir_44c71f2b1d1d8faff5c132b93515fa86.html">MODES</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">pickingMode.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">modelInformation.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d4c/a01058_source.html">BALL/VIEW/KERNEL/MODES/interactionMode.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;QtCore/QCoreApplication&gt;</code><br·/>
75 </div>76 </div>
76 <p><a·href="../../d0/d22/a01049_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d0/d22/a01049_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">78 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>80 Classes</h2></td></tr>
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84 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d6/d09/a03139.html">List·of·all·members</a>··</div>71 <a·href="../../d6/d09/a03139.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Exception::Postcondition·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::Postcondition·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
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78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d0/d22/a03142.png"·usemap="#BALL::Exception::Postcondition_map"·alt=""/>80 ··<img·src="../../d0/d22/a03142.png"·usemap="#BALL::Exception::Postcondition_map"·alt=""/>
81 ··<map·id="BALL::Exception::Postcondition_map"·name="BALL::Exception::Postcondition_map">81 ··<map·id="BALL::Exception::Postcondition_map"·name="BALL::Exception::Postcondition_map">
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134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·><a·class="el"·href="../../d0/d22/a03142.html">Postcondition</a>·failed.·A·postcondition·(as·defined·by·BALL_POSTCONDITION_EXCEPTION)·has·failed.·</p>136 <div·class="textblock"><p·><a·class="el"·href="../../d0/d22/a03142.html">Postcondition</a>·failed.·A·postcondition·(as·defined·by·BALL_POSTCONDITION_EXCEPTION)·has·failed.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00409">409</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00409">409</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="a7c6907f8da33b9e129e73edaf9dcd54b"·name="a7c6907f8da33b9e129e73edaf9dcd54b"></a>139 <a·id="a7c6907f8da33b9e129e73edaf9dcd54b"·name="a7c6907f8da33b9e129e73edaf9dcd54b"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a7c6907f8da33b9e129e73edaf9dcd54b">&#9670;&nbsp;</a></span>Postcondition()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a7c6907f8da33b9e129e73edaf9dcd54b">&#9670;&nbsp;</a></span>Postcondition()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
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143 ······<table·class="memname">143 ······<table·class="memname">
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_a7dfdbc559f1e3def0943b68d93d2e00.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">fermiBaseFunction.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">vector3.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d1a/a00251_source.html">BALL/SCORING/COMMON/baseFunction.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d0/d11/a00842_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../df/da9/a00263_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/MATHS/common.h</a>&gt;</code><br·/>
75 </div>78 </div>
76 <p><a·href="../../d0/d27/a00239_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d0/d27/a00239_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">80 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>82 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d44/a06130.html">BALL::FermiBaseFunction</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d54/a04918.html">BALL::TVector3&lt;·T·&gt;</a></td></tr>
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 91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Global·binary·operators·for·three-dimensional·vectors.</h2></td></tr>
 92 <tr·class="memitem:aa9fccf5a468c02f8dc3cd89925e7affd"><td·class="memItemLeft"·align="right"·valign="top">typedef·TVector3&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">BALL::Vector3</a></td></tr>
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 100 <tr·class="memitem:a08054d4af8650a154052843d2625feff"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a08054d4af8650a154052843d2625feff">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·TVector3&lt;·T·&gt;·&amp;vector)</td></tr>
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 103 <tr·class="memitem:a44675e8d16977e399d1b192d20623548"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a44675e8d16977e399d1b192d20623548">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·TVector3&lt;·T·&gt;·&amp;vector)</td></tr>
 104 <tr·class="separator:a44675e8d16977e399d1b192d20623548"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table>105 </table>
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65 </div><!--header-->72 </div><!--header-->
66 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d27/a00392_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../dd/d63/a00455_source.html">BALL/QSAR/statistics.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/QSAR/latentVariableModel.h</a>&gt;</code><br·/>
 78 </div>
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72 ··<div·class="headertitle"><div·class="title">BALL::GridBasedScoring::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::GridBasedScoring::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../df/da9/a00263_source.html">BALL/SCORING/COMMON/gridBasedScoring.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d3/def/a01985_source.html">BALL/SCORING/COMMON/gridBasedScoring.h</a>&gt;</code></p>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">validation.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">randomEvaluation.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d31/a02087_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d2f/a01586_source.html">BALL/DOCKING/COMMON/conformationSet.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d4/dae/a01994_source.html">BALL/SCORING/FUNCTIONS/energeticEvaluation.h</a>&gt;</code><br·/>
75 <code>#include·&lt;iterator&gt;</code><br·/>77 <code>#include·&lt;vector&gt;</code><br·/>
76 </div>78 </div>
77 <p><a·href="../../d0/d2b/a01997_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d0/d2b/a01997_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">80 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>82 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8c/a06114.html">BALL::QSAR::Validation</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db0/a06414.html">BALL::RandomEvaluation</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table><table·class="memberdecls">85 </table><table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
85 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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88 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../df/dea/a03391.html">List·of·all·members</a>··</div>71 <a·href="../../df/dea/a03391.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Bit::IllegalOperation·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Bit::IllegalOperation·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d18/a01925_source.html">BALL/DATATYPE/bitVector.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/deb/a00710_source.html">BALL/DATATYPE/bitVector.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Bit::IllegalOperation:</div>77 Inheritance·diagram·for·BALL::Bit::IllegalOperation:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d0/d2b/a03394.png"·usemap="#BALL::Bit::IllegalOperation_map"·alt=""/>80 ··<img·src="../../d0/d2b/a03394.png"·usemap="#BALL::Bit::IllegalOperation_map"·alt=""/>
81 ··<map·id="BALL::Bit::IllegalOperation_map"·name="BALL::Bit::IllegalOperation_map">81 ··<map·id="BALL::Bit::IllegalOperation_map"·name="BALL::Bit::IllegalOperation_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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131 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>131 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·thrown·if·a·file·could·not·be·processed·right.·</p>136 <div·class="textblock"><p·><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·thrown·if·a·file·could·not·be·processed·right.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d18/a01925_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d6/d18/a01925_source.html">bitVector.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/deb/a00710_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d4/deb/a00710_source.html">bitVector.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="adaa95a0929224473c476a1c300376612"·name="adaa95a0929224473c476a1c300376612"></a>139 <a·id="adaa95a0929224473c476a1c300376612"·name="adaa95a0929224473c476a1c300376612"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#adaa95a0929224473c476a1c300376612">&#9670;&nbsp;</a></span>IllegalOperation()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#adaa95a0929224473c476a1c300376612">&#9670;&nbsp;</a></span>IllegalOperation()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
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143 ······<table·class="memname">143 ······<table·class="memname">
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d1/df9/a03555.html">List·of·all·members</a>··</div>70 <a·href="../../d1/df9/a03555.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::Options·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::Options·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::Options:</div>76 Inheritance·diagram·for·BALL::Options:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d0/d31/a03558.png"·usemap="#BALL::Options_map"·alt=""/>79 ··<img·src="../../d0/d31/a03558.png"·usemap="#BALL::Options_map"·alt=""/>
80 ··<map·id="BALL::Options_map"·name="BALL::Options_map">80 ··<map·id="BALL::Options_map"·name="BALL::Options_map">
81 <area·href="../../de/d7e/a03618.html"·alt="BALL::StringHashMap&lt;·String·&gt;"·shape="rect"·coords="0,112,236,136"/>81 <area·href="../../de/d7e/a03618.html"·alt="BALL::StringHashMap&lt;·String·&gt;"·shape="rect"·coords="0,112,236,136"/>
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261 <tr·class="memitem:ac967e9140caa4086aed12dfabb7aee83·inherit·pub_types_a03530"><td·class="memItemLeft"·align="right"·valign="top">typedef·Base::const_iterator&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/de9/a03530.html#ac967e9140caa4086aed12dfabb7aee83">ConstIterator</a></td></tr>261 <tr·class="memitem:ac967e9140caa4086aed12dfabb7aee83·inherit·pub_types_a03530"><td·class="memItemLeft"·align="right"·valign="top">typedef·Base::const_iterator&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/de9/a03530.html#ac967e9140caa4086aed12dfabb7aee83">ConstIterator</a></td></tr>
262 <tr·class="separator:ac967e9140caa4086aed12dfabb7aee83·inherit·pub_types_a03530"><td·class="memSeparator"·colspan="2">&#160;</td></tr>262 <tr·class="separator:ac967e9140caa4086aed12dfabb7aee83·inherit·pub_types_a03530"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
263 </table>263 </table>
264 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>264 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
265 <div·class="textblock"><p·><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·class.·This·object·is·intended·to·store·options·for·complex·method·calls.·These·options·are·stored·as·key/value·pairs·of·<a·class="el"·href="../../db/ddd/a02136.html">String·</a>·.·</p><dl·class="section·user"><dt></dt><dd>Using·this·datastructure,·options·for·force·fields·(·<a·class="el"·href="../../d9/d65/a05074.html">ForceField·</a>·),·finit·difference·Poisson·Boltzmann·calculations·(·<a·class="el"·href="../../de/d3f/a06566.html">FDPB·</a>·),·or·the·results·of·calculations·can·be·given,·retrieved,·stored·into·a·file·and·retrieved·from·a·file.·This·simplifies·the·handling·of·such·complex·parameter·sets.·</dd></dl>265 <div·class="textblock"><p·><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·class.·This·object·is·intended·to·store·options·for·complex·method·calls.·These·options·are·stored·as·key/value·pairs·of·<a·class="el"·href="../../db/ddd/a02136.html">String·</a>·.·</p><dl·class="section·user"><dt></dt><dd>Using·this·datastructure,·options·for·force·fields·(·<a·class="el"·href="../../d9/d65/a05074.html">ForceField·</a>·),·finit·difference·Poisson·Boltzmann·calculations·(·<a·class="el"·href="../../de/d3f/a06566.html">FDPB·</a>·),·or·the·results·of·calculations·can·be·given,·retrieved,·stored·into·a·file·and·retrieved·from·a·file.·This·simplifies·the·handling·of·such·complex·parameter·sets.·</dd></dl>
266 <dl·class="section·user"><dt></dt><dd></dd></dl>266 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
267 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d9b/a01889_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d9/d9b/a01889_source.html">options.h</a>.</p>267 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d87/a00689_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d1/d87/a00689_source.html">options.h</a>.</p>
268 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>268 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
269 <a·id="a7dead9786c97efdd33334fa711b627f3"·name="a7dead9786c97efdd33334fa711b627f3"></a>269 <a·id="a7dead9786c97efdd33334fa711b627f3"·name="a7dead9786c97efdd33334fa711b627f3"></a>
270 <h2·class="memtitle"><span·class="permalink"><a·href="#a7dead9786c97efdd33334fa711b627f3">&#9670;&nbsp;</a></span>Options()·<span·class="overload">[1/2]</span></h2>270 <h2·class="memtitle"><span·class="permalink"><a·href="#a7dead9786c97efdd33334fa711b627f3">&#9670;&nbsp;</a></span>Options()·<span·class="overload">[1/2]</span></h2>
  
271 <div·class="memitem">271 <div·class="memitem">
272 <div·class="memproto">272 <div·class="memproto">
273 ······<table·class="memname">273 ······<table·class="memname">
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1336 ··</td>1336 ··</td>
1337 ··<td·class="mlabels-right">1337 ··<td·class="mlabels-right">
1338 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>1338 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
1339 ··</tr>1339 ··</tr>
1340 </table>1340 </table>
1341 </div><div·class="memdoc">1341 </div><div·class="memdoc">
  
1342 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d9b/a01889_source.html#l00385">385</a>·of·file·<a·class="el"·href="../../d9/d9b/a01889_source.html">options.h</a>.</p>1342 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d87/a00689_source.html#l00385">385</a>·of·file·<a·class="el"·href="../../d1/d87/a00689_source.html">options.h</a>.</p>
  
1343 </div>1343 </div>
1344 </div>1344 </div>
1345 <a·id="a649802215056eb020c5eaa7b7c24007b"·name="a649802215056eb020c5eaa7b7c24007b"></a>1345 <a·id="a649802215056eb020c5eaa7b7c24007b"·name="a649802215056eb020c5eaa7b7c24007b"></a>
1346 <h2·class="memtitle"><span·class="permalink"><a·href="#a649802215056eb020c5eaa7b7c24007b">&#9670;&nbsp;</a></span>MAX_ENTRY_LENGTH</h2>1346 <h2·class="memtitle"><span·class="permalink"><a·href="#a649802215056eb020c5eaa7b7c24007b">&#9670;&nbsp;</a></span>MAX_ENTRY_LENGTH</h2>
  
1347 <div·class="memitem">1347 <div·class="memitem">
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1361 ··<td·class="mlabels-right">1361 ··<td·class="mlabels-right">
1362 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>1362 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
1363 ··</tr>1363 ··</tr>
1364 </table>1364 </table>
1365 </div><div·class="memdoc">1365 </div><div·class="memdoc">
1366 <p·>Maximum·length·for·each·entry·(key·+·value):·1024·byte.·@memo·</p>1366 <p·>Maximum·length·for·each·entry·(key·+·value):·1024·byte.·@memo·</p>
  
1367 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d9b/a01889_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../d9/d9b/a01889_source.html">options.h</a>.</p>1367 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d87/a00689_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../d1/d87/a00689_source.html">options.h</a>.</p>
  
1368 </div>1368 </div>
1369 </div>1369 </div>
1370 <a·id="ace319fe43bc18085e8fa9fdc729727e5"·name="ace319fe43bc18085e8fa9fdc729727e5"></a>1370 <a·id="ace319fe43bc18085e8fa9fdc729727e5"·name="ace319fe43bc18085e8fa9fdc729727e5"></a>
1371 <h2·class="memtitle"><span·class="permalink"><a·href="#ace319fe43bc18085e8fa9fdc729727e5">&#9670;&nbsp;</a></span>name_</h2>1371 <h2·class="memtitle"><span·class="permalink"><a·href="#ace319fe43bc18085e8fa9fdc729727e5">&#9670;&nbsp;</a></span>name_</h2>
  
1372 <div·class="memitem">1372 <div·class="memitem">
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1385 ··</td>1385 ··</td>
1386 ··<td·class="mlabels-right">1386 ··<td·class="mlabels-right">
1387 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>1387 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
1388 ··</tr>1388 ··</tr>
1389 </table>1389 </table>
1390 </div><div·class="memdoc">1390 </div><div·class="memdoc">
  
1391 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d9b/a01889_source.html#l00384">384</a>·of·file·<a·class="el"·href="../../d9/d9b/a01889_source.html">options.h</a>.</p>1391 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d87/a00689_source.html#l00384">384</a>·of·file·<a·class="el"·href="../../d1/d87/a00689_source.html">options.h</a>.</p>
  
1392 </div>1392 </div>
1393 </div>1393 </div>
1394 <a·id="ace20fcdf49380b88e1661c7ad9989a43"·name="ace20fcdf49380b88e1661c7ad9989a43"></a>1394 <a·id="ace20fcdf49380b88e1661c7ad9989a43"·name="ace20fcdf49380b88e1661c7ad9989a43"></a>
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1396 <div·class="memitem">1396 <div·class="memitem">
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1409 ··</td>1409 ··</td>
1410 ··<td·class="mlabels-right">1410 ··<td·class="mlabels-right">
1411 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>1411 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
1412 ··</tr>1412 ··</tr>
1413 </table>1413 </table>
1414 </div><div·class="memdoc">1414 </div><div·class="memdoc">
  
1415 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d9b/a01889_source.html#l00386">386</a>·of·file·<a·class="el"·href="../../d9/d9b/a01889_source.html">options.h</a>.</p>1415 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d87/a00689_source.html#l00386">386</a>·of·file·<a·class="el"·href="../../d1/d87/a00689_source.html">options.h</a>.</p>
  
1416 </div>1416 </div>
1417 </div>1417 </div>
1418 </div><!--·contents·-->1418 </div><!--·contents·-->
1419 <!--·start·footer·part·-->1419 <!--·start·footer·part·-->
1420 <hr·class="footer"/><address·class="footer"><small>1420 <hr·class="footer"/><address·class="footer"><small>
1421 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.41421 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;71 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
72 <a·href="../../d8/d03/a03871.html">List·of·all·members</a>··</div>72 <a·href="../../d8/d03/a03871.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::CommandlineParser·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::CommandlineParser·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../df/d03/a00062_source.html">BALL/FORMAT/commandlineParser.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../da/dd6/a00896_source.html">BALL/FORMAT/commandlineParser.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a127e4e30717f63707f357a5b7003e8f9"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d34/a03874.html#a127e4e30717f63707f357a5b7003e8f9">CommandlineParser</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·tool_name,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·tool_description,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·tool_version,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·build_date,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·category=&quot;&quot;)</td></tr>80 <tr·class="memitem:a127e4e30717f63707f357a5b7003e8f9"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d34/a03874.html#a127e4e30717f63707f357a5b7003e8f9">CommandlineParser</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·tool_name,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·tool_description,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·tool_version,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·build_date,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·category=&quot;&quot;)</td></tr>
81 <tr·class="separator:a127e4e30717f63707f357a5b7003e8f9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a127e4e30717f63707f357a5b7003e8f9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:a607dfe36613be83b3e2038da40fa93b8"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d34/a03874.html#a607dfe36613be83b3e2038da40fa93b8">setToolManual</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;manual)</td></tr>82 <tr·class="memitem:a607dfe36613be83b3e2038da40fa93b8"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d34/a03874.html#a607dfe36613be83b3e2038da40fa93b8">setToolManual</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;manual)</td></tr>
83 <tr·class="separator:a607dfe36613be83b3e2038da40fa93b8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:a607dfe36613be83b3e2038da40fa93b8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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184 <div·class="textblock"><p·>Class·for·parsing·parameters·specified·on·the·command·line.<br··/>184 <div·class="textblock"><p·>Class·for·parsing·parameters·specified·on·the·command·line.<br··/>
185 ·Register·the·parameters·and·flags·of·your·tool·with·registerParameter(),·resp.·<a·class="el"·href="../../d0/d34/a03874.html#a3e1b120e78735c4fd10686d69e94e1b7">registerFlag()</a>·and·have·the·command-line·parsed·with·<a·class="el"·href="../../d0/d34/a03874.html#af8372197711db0091e0ea97a72c208bc">parse()</a>.·After·this,·you·can·retrieve·the·values·of·all·parameters·with·<a·class="el"·href="../../d0/d34/a03874.html#aadb574ff70a1eb7bd00a3cce7bb0c6b9">get()</a>.<br··/>185 ·Register·the·parameters·and·flags·of·your·tool·with·registerParameter(),·resp.·<a·class="el"·href="../../d0/d34/a03874.html#a3e1b120e78735c4fd10686d69e94e1b7">registerFlag()</a>·and·have·the·command-line·parsed·with·<a·class="el"·href="../../d0/d34/a03874.html#af8372197711db0091e0ea97a72c208bc">parse()</a>.·After·this,·you·can·retrieve·the·values·of·all·parameters·with·<a·class="el"·href="../../d0/d34/a03874.html#aadb574ff70a1eb7bd00a3cce7bb0c6b9">get()</a>.<br··/>
186 ·In·addition·to·this,·you·can·also·register·a·tool-manual·text,·define·restrictions·on·parameters·and·register·file-formats·that·are·supported·for·in-·or·output-files.<br··/>186 ·In·addition·to·this,·you·can·also·register·a·tool-manual·text,·define·restrictions·on·parameters·and·register·file-formats·that·are·supported·for·in-·or·output-files.<br··/>
187 ·If·the·parameter·'-write_par·somefilename.xml'·is·given·to·the·program,·an·xml-based·parameter-file·will·be·automatically·written,·containing·the·specification·the·tool,·all·its·parameters·and·all·parameter·values·used·on·the·commend-line.<br··/>187 ·If·the·parameter·'-write_par·somefilename.xml'·is·given·to·the·program,·an·xml-based·parameter-file·will·be·automatically·written,·containing·the·specification·the·tool,·all·its·parameters·and·all·parameter·values·used·on·the·commend-line.<br··/>
188 ·If·the·parameter·'-par·somefilename.xml'·is·used,·such·a·file·can·be·read,·so·that·the·parameter-values·stored·in·it·will·be·used.·However,·if,·although·this·is·not·necessary,·parameters·(other·than·-par)·are·specified·on·the·command-line,·their·values·will·automatically·overload·those·stored·in·the·xml-file.</p>188 ·If·the·parameter·'-par·somefilename.xml'·is·used,·such·a·file·can·be·read,·so·that·the·parameter-values·stored·in·it·will·be·used.·However,·if,·although·this·is·not·necessary,·parameters·(other·than·-par)·are·specified·on·the·command-line,·their·values·will·automatically·overload·those·stored·in·the·xml-file.</p>
189 <p·>The·parameter·'-env'·allows·to·differentiate·between·command·line·('cmdline')·behaviour·and·special·adaptions·to·workflow·systems·like·galaxy·or·knime.·</p>189 <p·>The·parameter·'-env'·allows·to·differentiate·between·command·line·('cmdline')·behaviour·and·special·adaptions·to·workflow·systems·like·galaxy·or·knime.·</p>
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d03/a00062_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../df/d03/a00062_source.html">commandlineParser.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd6/a00896_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../da/dd6/a00896_source.html">commandlineParser.h</a>.</p>
191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
192 <a·id="a127e4e30717f63707f357a5b7003e8f9"·name="a127e4e30717f63707f357a5b7003e8f9"></a>192 <a·id="a127e4e30717f63707f357a5b7003e8f9"·name="a127e4e30717f63707f357a5b7003e8f9"></a>
193 <h2·class="memtitle"><span·class="permalink"><a·href="#a127e4e30717f63707f357a5b7003e8f9">&#9670;&nbsp;</a></span>CommandlineParser()</h2>193 <h2·class="memtitle"><span·class="permalink"><a·href="#a127e4e30717f63707f357a5b7003e8f9">&#9670;&nbsp;</a></span>CommandlineParser()</h2>
  
194 <div·class="memitem">194 <div·class="memitem">
195 <div·class="memproto">195 <div·class="memproto">
196 ······<table·class="memname">196 ······<table·class="memname">
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1583 ··</td>1583 ··</td>
1584 ··<td·class="mlabels-right">1584 ··<td·class="mlabels-right">
1585 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>1585 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
1586 ··</tr>1586 ··</tr>
1587 </table>1587 </table>
1588 </div><div·class="memdoc">1588 </div><div·class="memdoc">
  
1589 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d03/a00062_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../df/d03/a00062_source.html">commandlineParser.h</a>.</p>1589 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd6/a00896_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../da/dd6/a00896_source.html">commandlineParser.h</a>.</p>
  
1590 </div>1590 </div>
1591 </div>1591 </div>
1592 <a·id="a9ad235c080a5b2a255fbaa76df9d9828"·name="a9ad235c080a5b2a255fbaa76df9d9828"></a>1592 <a·id="a9ad235c080a5b2a255fbaa76df9d9828"·name="a9ad235c080a5b2a255fbaa76df9d9828"></a>
1593 <h2·class="memtitle"><span·class="permalink"><a·href="#a9ad235c080a5b2a255fbaa76df9d9828">&#9670;&nbsp;</a></span>NOT_FOUND</h2>1593 <h2·class="memtitle"><span·class="permalink"><a·href="#a9ad235c080a5b2a255fbaa76df9d9828">&#9670;&nbsp;</a></span>NOT_FOUND</h2>
  
1594 <div·class="memitem">1594 <div·class="memitem">
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1607 ··</td>1607 ··</td>
1608 ··<td·class="mlabels-right">1608 ··<td·class="mlabels-right">
1609 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>1609 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
1610 ··</tr>1610 ··</tr>
1611 </table>1611 </table>
1612 </div><div·class="memdoc">1612 </div><div·class="memdoc">
  
1613 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d03/a00062_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../df/d03/a00062_source.html">commandlineParser.h</a>.</p>1613 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd6/a00896_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../da/dd6/a00896_source.html">commandlineParser.h</a>.</p>
  
1614 </div>1614 </div>
1615 </div>1615 </div>
1616 </div><!--·contents·-->1616 </div><!--·contents·-->
1617 <!--·start·footer·part·-->1617 <!--·start·footer·part·-->
1618 <hr·class="footer"/><address·class="footer"><small>1618 <hr·class="footer"/><address·class="footer"><small>
1619 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.41619 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d3/dcd/a07303.html">List·of·all·members</a>··</div>70 <a·href="../../d3/dcd/a07303.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::TriangulatedSAS·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::TriangulatedSAS·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../db/d77/a00683_source.html">BALL/STRUCTURE/triangulatedSAS.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d1/dd5/a01742_source.html">BALL/STRUCTURE/triangulatedSAS.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::TriangulatedSAS:</div>76 Inheritance·diagram·for·BALL::TriangulatedSAS:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d0/d35/a07306.png"·usemap="#BALL::TriangulatedSAS_map"·alt=""/>79 ··<img·src="../../d0/d35/a07306.png"·usemap="#BALL::TriangulatedSAS_map"·alt=""/>
80 ··<map·id="BALL::TriangulatedSAS_map"·name="BALL::TriangulatedSAS_map">80 ··<map·id="BALL::TriangulatedSAS_map"·name="BALL::TriangulatedSAS_map">
81 <area·href="../../d5/d6f/a07322.html"·alt="BALL::TriangulatedSurface"·shape="rect"·coords="0,0,164,24"/>81 <area·href="../../d5/d6f/a07322.html"·alt="BALL::TriangulatedSurface"·shape="rect"·coords="0,0,164,24"/>
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249 <tr·class="separator:a195049c060dc7a7ba550c95564ef1d13·inherit·pro_attribs_a07322"><td·class="memSeparator"·colspan="2">&#160;</td></tr>249 <tr·class="separator:a195049c060dc7a7ba550c95564ef1d13·inherit·pro_attribs_a07322"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
250 <tr·class="memitem:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6f/a07322.html#a2b3bca766e09149b94f1e3c0534c125f">density_</a></td></tr>250 <tr·class="memitem:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6f/a07322.html#a2b3bca766e09149b94f1e3c0534c125f">density_</a></td></tr>
251 <tr·class="separator:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"><td·class="memSeparator"·colspan="2">&#160;</td></tr>251 <tr·class="separator:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
252 </table>252 </table>
253 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>253 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
254 <div·class="textblock"><p·>Generic·<a·class="el"·href="../../d0/d35/a07306.html">TriangulatedSAS</a>·Class.·&lt;&gt;·</p>254 <div·class="textblock"><p·>Generic·<a·class="el"·href="../../d0/d35/a07306.html">TriangulatedSAS</a>·Class.·&lt;&gt;·</p>
  
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534 </div>534 </div>
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536 <h2·class="memtitle"><span·class="permalink"><a·href="#abd6c5c37d75de2293a634d2c361bae92">&#9670;&nbsp;</a></span>sas_</h2>536 <h2·class="memtitle"><span·class="permalink"><a·href="#abd6c5c37d75de2293a634d2c361bae92">&#9670;&nbsp;</a></span>sas_</h2>
  
537 <div·class="memitem">537 <div·class="memitem">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">modifyRepresentationDialog.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">label.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d21/a01484_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d0/d85/a01352_source.html">BALL/VIEW/DATATYPE/vertex1.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;QtGui/QFont&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d0/de2/a01442_source.html">BALL/VIEW/PRIMITIVES/mesh.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d6/d80/a01076_source.html">BALL/VIEW/KERNEL/representation.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../db/d29/a01895_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;<a·class="el"·href="../../d1/db0/a01928_source.html">BALL/DATATYPE/hashGrid.h</a>&gt;</code><br·/> 
81 <code>#include·&lt;<a·class="el"·href="../../de/d70/a01415_source.html">BALL/VIEW/DIALOGS/materialSettings.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;BALL/VIEW/UIC/ui_modifyRepresentationDialog.h&gt;</code><br·/> 
83 </div>77 </div>
84 <p><a·href="../../d0/d36/a01388_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d0/d36/a01388_source.html">Go·to·the·source·code·of·this·file.</a></p>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">hashMap.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">ooiEnergy.h·File·Reference</div></div>
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75 <code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../dc/d31/a01892_source.html">BALL/DATATYPE/triple.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/MOLMEC/COMMON/typeRuleProcessor.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../dd/d8e/a01898_source.html">BALL/DATATYPE/quadruple.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;boost/unordered_map.hpp&gt;</code><br·/> 
79 <code>#include·&lt;boost/functional/hash.hpp&gt;</code><br·/> 
80 </div>76 </div>
81 <p><a·href="../../d0/d36/a01916_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d0/d36/a01916_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls">78 <table·class="memberdecls">
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86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d7f/a03522.html">boost::hash&lt;·BALL::Triple&lt;·T1,·T2,·T3·&gt;·&gt;</a></td></tr> 
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d19/a03526.html">boost::hash&lt;·BALL::Quadruple&lt;·T1,·T2,·T3,·T4·&gt;·&gt;</a></td></tr> 
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/de9/a03530.html">BALL::HashMap&lt;·Key,·T·&gt;</a></td></tr> 
92 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d0/de9/a03530.html"·title="HashMap·class·based·on·the·STL·map·(containing·serveral·convenience·functions)">HashMap</a>·class·based·on·the·STL·map·(containing·serveral·convenience·functions)··<a·href="../../d0/de9/a03530.html#details">More...</a><br·/></td></tr> 
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/de6/a03534.html">BALL::HashMap&lt;·Key,·T·&gt;::IllegalKey</a></td></tr> 
95 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d0/de9/a03530.html"·title="HashMap·class·based·on·the·STL·map·(containing·serveral·convenience·functions)">HashMap</a>·illegal·key·exception.··<a·href="../../d6/de6/a03534.html#details">More...</a><br·/></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 </table><table·class="memberdecls"> 
98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
99 Namespaces</h2></td></tr>80 Namespaces</h2></td></tr>
100 <tr·class="memitem:d6/d41/a02222"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d41/a02222.html">boost</a></td></tr> 
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>81 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
103 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 83 </table><table·class="memberdecls">
 84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 85 Functions</h2></td></tr>
 86 <tr·class="memitem:ga9e9d6d856fdfab50a675e8a15ce3125c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d1b/a02187.html#ga9e9d6d856fdfab50a675e8a15ce3125c">BALL::calculateOoiEnergy</a>·(AtomContainer·&amp;atoms)</td></tr>
 87 <tr·class="separator:ga9e9d6d856fdfab50a675e8a15ce3125c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
104 </table>88 </table>
105 </div><!--·contents·-->89 </div><!--·contents·-->
106 <!--·start·footer·part·-->90 <!--·start·footer·part·-->
107 <hr·class="footer"/><address·class="footer"><small>91 <hr·class="footer"/><address·class="footer"><small>
108 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.492 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
109 </small></address>93 </small></address>
110 </body>94 </body>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../de/d8a/a07983.html">List·of·all·members</a>··</div>72 <a·href="../../de/d8a/a07983.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::CalculateFDPBThread·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::CalculateFDPBThread·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../dd/d09/a01118_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::CalculateFDPBThread:</div>78 Inheritance·diagram·for·BALL::VIEW::CalculateFDPBThread:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d0/d36/a07986.png"·usemap="#BALL::VIEW::CalculateFDPBThread_map"·alt=""/>81 ··<img·src="../../d0/d36/a07986.png"·usemap="#BALL::VIEW::CalculateFDPBThread_map"·alt=""/>
82 ··<map·id="BALL::VIEW::CalculateFDPBThread_map"·name="BALL::VIEW::CalculateFDPBThread_map">82 ··<map·id="BALL::VIEW::CalculateFDPBThread_map"·name="BALL::VIEW::CalculateFDPBThread_map">
83 <area·href="../../dc/da9/a07982.html"·alt="BALL::VIEW::BALLThread"·shape="rect"·coords="0,56,212,80"/>83 <area·href="../../dc/da9/a07982.html"·alt="BALL::VIEW::BALLThread"·shape="rect"·coords="0,56,212,80"/>
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127 <tr·class="memdesc:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Sends·the·string·as·outout·to·Log.info.··<a·href="../../dc/da9/a07982.html#a86f8e5eb10fe0cc8fdcf07a1f4bb43f2">More...</a><br·/></td></tr>127 <tr·class="memdesc:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Sends·the·string·as·outout·to·Log.info.··<a·href="../../dc/da9/a07982.html#a86f8e5eb10fe0cc8fdcf07a1f4bb43f2">More...</a><br·/></td></tr>
128 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>129 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>
130 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>130 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
131 </table>131 </table>
132 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>132 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
133 <div·class="textblock">133 <div·class="textblock">
134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
135 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>135 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
136 <a·id="ae575b41aa31be8a015dcf65b03f5c18e"·name="ae575b41aa31be8a015dcf65b03f5c18e"></a>136 <a·id="ae575b41aa31be8a015dcf65b03f5c18e"·name="ae575b41aa31be8a015dcf65b03f5c18e"></a>
137 <h2·class="memtitle"><span·class="permalink"><a·href="#ae575b41aa31be8a015dcf65b03f5c18e">&#9670;&nbsp;</a></span>CalculateFDPBThread()</h2>137 <h2·class="memtitle"><span·class="permalink"><a·href="#ae575b41aa31be8a015dcf65b03f5c18e">&#9670;&nbsp;</a></span>CalculateFDPBThread()</h2>
  
138 <div·class="memitem">138 <div·class="memitem">
139 <div·class="memproto">139 <div·class="memproto">
140 ······<table·class="memname">140 ······<table·class="memname">
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199 ··</td>199 ··</td>
200 ··<td·class="mlabels-right">200 ··<td·class="mlabels-right">
201 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>201 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
202 ··</tr>202 ··</tr>
203 </table>203 </table>
204 </div><div·class="memdoc">204 </div><div·class="memdoc">
  
205 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>205 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
206 </div>206 </div>
207 </div>207 </div>
208 <h2·class="groupheader">Member·Data·Documentation</h2>208 <h2·class="groupheader">Member·Data·Documentation</h2>
209 <a·id="ae6f971bcabb1d648a76c8d1a5eb42e56"·name="ae6f971bcabb1d648a76c8d1a5eb42e56"></a>209 <a·id="ae6f971bcabb1d648a76c8d1a5eb42e56"·name="ae6f971bcabb1d648a76c8d1a5eb42e56"></a>
210 <h2·class="memtitle"><span·class="permalink"><a·href="#ae6f971bcabb1d648a76c8d1a5eb42e56">&#9670;&nbsp;</a></span>dialog_</h2>210 <h2·class="memtitle"><span·class="permalink"><a·href="#ae6f971bcabb1d648a76c8d1a5eb42e56">&#9670;&nbsp;</a></span>dialog_</h2>
  
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224 ··</td>224 ··</td>
225 ··<td·class="mlabels-right">225 ··<td·class="mlabels-right">
226 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>226 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
227 ··</tr>227 ··</tr>
228 </table>228 </table>
229 </div><div·class="memdoc">229 </div><div·class="memdoc">
  
230 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00135">135</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>230 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00135">135</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
231 </div>231 </div>
232 </div>232 </div>
233 </div><!--·contents·-->233 </div><!--·contents·-->
234 <!--·start·footer·part·-->234 <!--·start·footer·part·-->
235 <hr·class="footer"/><address·class="footer"><small>235 <hr·class="footer"/><address·class="footer"><small>
236 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4236 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
75 <a·href="../../d6/d94/a05479.html">List·of·all·members</a>··</div>75 <a·href="../../d6/d94/a05479.html">List·of·all·members</a>··</div>
76 ··<div·class="headertitle"><div·class="title">BALL::EmpiricalHSShiftProcessor::PropertiesForShift_·Class·Reference</div></div>76 ··<div·class="headertitle"><div·class="title">BALL::EmpiricalHSShiftProcessor::PropertiesForShift_·Class·Reference</div></div>
77 </div><!--header-->77 </div><!--header-->
78 <div·class="contents">78 <div·class="contents">
  
79 <p><code>#include·&lt;<a·class="el"·href="../../d9/d10/a00449_source.html">BALL/NMR/empiricalHSShiftProcessor.h</a>&gt;</code></p>79 <p><code>#include·&lt;<a·class="el"·href="../../d3/deb/a01619_source.html">BALL/NMR/empiricalHSShiftProcessor.h</a>&gt;</code></p>
80 <table·class="memberdecls">80 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
82 Public·Member·Functions</h2></td></tr>82 Public·Member·Functions</h2></td></tr>
83 <tr·class="memitem:abcc18e695393e95a560607e77fd1021f"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d3d/a05482.html#abcc18e695393e95a560607e77fd1021f">PropertiesForShift_</a>·(int·verbosity_=<a·class="el"·href="../../da/d10/a05470.html#a6d8ce63c8ee7cec4c45efe29ceb16560">EmpiricalHSShiftProcessor::VERBOSITY_LEVEL_CRITICAL</a>)</td></tr>83 <tr·class="memitem:abcc18e695393e95a560607e77fd1021f"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d3d/a05482.html#abcc18e695393e95a560607e77fd1021f">PropertiesForShift_</a>·(int·verbosity_=<a·class="el"·href="../../da/d10/a05470.html#a6d8ce63c8ee7cec4c45efe29ceb16560">EmpiricalHSShiftProcessor::VERBOSITY_LEVEL_CRITICAL</a>)</td></tr>
84 <tr·class="separator:abcc18e695393e95a560607e77fd1021f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:abcc18e695393e95a560607e77fd1021f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 <tr·class="memitem:a94f6f9d751304f18be2ea01e4f03c21b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d3d/a05482.html#a94f6f9d751304f18be2ea01e4f03c21b">computeProperties_</a>·(<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*atom,·std::set&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·properties)</td></tr>85 <tr·class="memitem:a94f6f9d751304f18be2ea01e4f03c21b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d3d/a05482.html#a94f6f9d751304f18be2ea01e4f03c21b">computeProperties_</a>·(<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*atom,·std::set&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·properties)</td></tr>
86 <tr·class="separator:a94f6f9d751304f18be2ea01e4f03c21b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:a94f6f9d751304f18be2ea01e4f03c21b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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134 <tr·class="memitem:ad15907383ea0bbe3680c09fcd9664103"><td·class="memItemLeft"·align="right"·valign="top">std::map&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d3d/a05482.html#ad15907383ea0bbe3680c09fcd9664103">properties_real_</a></td></tr>134 <tr·class="memitem:ad15907383ea0bbe3680c09fcd9664103"><td·class="memItemLeft"·align="right"·valign="top">std::map&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d3d/a05482.html#ad15907383ea0bbe3680c09fcd9664103">properties_real_</a></td></tr>
135 <tr·class="separator:ad15907383ea0bbe3680c09fcd9664103"><td·class="memSeparator"·colspan="2">&#160;</td></tr>135 <tr·class="separator:ad15907383ea0bbe3680c09fcd9664103"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
136 <tr·class="memitem:ad2efcf9aba363062354d86ea958db9e2"><td·class="memItemLeft"·align="right"·valign="top">std::map&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d3d/a05482.html#ad2efcf9aba363062354d86ea958db9e2">properties_string_</a></td></tr>136 <tr·class="memitem:ad2efcf9aba363062354d86ea958db9e2"><td·class="memItemLeft"·align="right"·valign="top">std::map&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d3d/a05482.html#ad2efcf9aba363062354d86ea958db9e2">properties_string_</a></td></tr>
137 <tr·class="separator:ad2efcf9aba363062354d86ea958db9e2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>137 <tr·class="separator:ad2efcf9aba363062354d86ea958db9e2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
138 </table>138 </table>
139 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>139 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
140 <div·class="textblock">140 <div·class="textblock">
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d10/a00449_source.html#l00195">195</a>·of·file·<a·class="el"·href="../../d9/d10/a00449_source.html">empiricalHSShiftProcessor.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/deb/a01619_source.html#l00195">195</a>·of·file·<a·class="el"·href="../../d3/deb/a01619_source.html">empiricalHSShiftProcessor.h</a>.</p>
142 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>142 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
143 <a·id="abcc18e695393e95a560607e77fd1021f"·name="abcc18e695393e95a560607e77fd1021f"></a>143 <a·id="abcc18e695393e95a560607e77fd1021f"·name="abcc18e695393e95a560607e77fd1021f"></a>
144 <h2·class="memtitle"><span·class="permalink"><a·href="#abcc18e695393e95a560607e77fd1021f">&#9670;&nbsp;</a></span>PropertiesForShift_()</h2>144 <h2·class="memtitle"><span·class="permalink"><a·href="#abcc18e695393e95a560607e77fd1021f">&#9670;&nbsp;</a></span>PropertiesForShift_()</h2>
  
145 <div·class="memitem">145 <div·class="memitem">
146 <div·class="memproto">146 <div·class="memproto">
147 ······<table·class="memname">147 ······<table·class="memname">
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611 ········<tr>611 ········<tr>
612 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::EmpiricalHSShiftProcessor::PropertiesForShift_::current_atom</td>612 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::EmpiricalHSShiftProcessor::PropertiesForShift_::current_atom</td>
613 ········</tr>613 ········</tr>
614 ······</table>614 ······</table>
615 </div><div·class="memdoc">615 </div><div·class="memdoc">
616 <p·>A·pointer·to·the·atom,·whose·properties·are·computed·and·stored.·</p>616 <p·>A·pointer·to·the·atom,·whose·properties·are·computed·and·stored.·</p>
  
617 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d10/a00449_source.html#l00205">205</a>·of·file·<a·class="el"·href="../../d9/d10/a00449_source.html">empiricalHSShiftProcessor.h</a>.</p>617 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/deb/a01619_source.html#l00205">205</a>·of·file·<a·class="el"·href="../../d3/deb/a01619_source.html">empiricalHSShiftProcessor.h</a>.</p>
  
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635 ··</td>635 ··</td>
636 ··<td·class="mlabels-right">636 ··<td·class="mlabels-right">
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638 ··</tr>638 ··</tr>
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641 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d10/a00449_source.html#l00253">253</a>·of·file·<a·class="el"·href="../../d9/d10/a00449_source.html">empiricalHSShiftProcessor.h</a>.</p>641 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/deb/a01619_source.html#l00253">253</a>·of·file·<a·class="el"·href="../../d3/deb/a01619_source.html">empiricalHSShiftProcessor.h</a>.</p>
  
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659 ··</td>659 ··</td>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
 71 <a·href="#define-members">Macros</a>··</div>
71 ··<div·class="headertitle"><div·class="title">triangle.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">nucleicAcid.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/STRUCTURE/graphEdge.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d1e/a00497_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../df/d3b/a00728_source.html">BALL/STRUCTURE/graphFace.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d6/d06/a00572_source.html">BALL/KERNEL/nucleotide.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d9/d0f/a00644_source.html">BALL/STRUCTURE/graphVertex.h</a>&gt;</code><br·/> 
77 </div>77 </div>
78 <p><a·href="../../d0/d3e/a00566_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d0/d3e/a00566_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">79 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>81 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dcd/a07294.html">BALL::Triangle</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/df8/a04550.html">BALL::NucleicAcid</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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86 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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91 Functions</h2></td></tr>91 Macros</h2></td></tr>
 92 <tr·class="memitem:a5a1d37bfd74850a659f3eedb6a62a01a"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d3e/a00566.html#a5a1d37bfd74850a659f3eedb6a62a01a">BALL_NUCLEICACID_DEFAULT_ID</a>&#160;&#160;&#160;&quot;&quot;</td></tr>
92 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr> 
93 <tr·class="memitem:ga99ff9defb0f0d75aab79f2d79a3740e6"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga99ff9defb0f0d75aab79f2d79a3740e6">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·Triangle·&amp;triangle)</td></tr> 
94 <tr·class="separator:ga99ff9defb0f0d75aab79f2d79a3740e6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:a5a1d37bfd74850a659f3eedb6a62a01a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table>94 </table>
 95 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 96 <a·id="a5a1d37bfd74850a659f3eedb6a62a01a"·name="a5a1d37bfd74850a659f3eedb6a62a01a"></a>
 97 <h2·class="memtitle"><span·class="permalink"><a·href="#a5a1d37bfd74850a659f3eedb6a62a01a">&#9670;&nbsp;</a></span>BALL_NUCLEICACID_DEFAULT_ID</h2>
  
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 102 ··········<td·class="memname">#define·BALL_NUCLEICACID_DEFAULT_ID&#160;&#160;&#160;&quot;&quot;</td>
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 104 ······</table>
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 107 </div>
 108 </div>
96 </div><!--·contents·-->109 </div><!--·contents·-->
97 <!--·start·footer·part·-->110 <!--·start·footer·part·-->
98 <hr·class="footer"/><address·class="footer"><small>111 <hr·class="footer"/><address·class="footer"><small>
99 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4112 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 ··<div·class="headertitle"><div·class="title">BALL::Lipophilic·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Lipophilic·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../de/df3/a00185_source.html">BALL/SCORING/COMPONENTS/lipophilic.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d8b/a02060_source.html">BALL/SCORING/COMPONENTS/lipophilic.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Lipophilic:</div>77 Inheritance·diagram·for·BALL::Lipophilic:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d0/d44/a06302.png"·usemap="#BALL::Lipophilic_map"·alt=""/>80 ··<img·src="../../d0/d44/a06302.png"·usemap="#BALL::Lipophilic_map"·alt=""/>
81 ··<map·id="BALL::Lipophilic_map"·name="BALL::Lipophilic_map">81 ··<map·id="BALL::Lipophilic_map"·name="BALL::Lipophilic_map">
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206 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>206 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
207 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>207 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
208 </table>208 </table>
209 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>209 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
210 <div·class="textblock"><p·>Fresno·lipophilic·component·</p>210 <div·class="textblock"><p·>Fresno·lipophilic·component·</p>
  
211 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/df3/a00185_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../de/df3/a00185_source.html">lipophilic.h</a>.</p>211 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8b/a02060_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d5/d8b/a02060_source.html">lipophilic.h</a>.</p>
212 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>212 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
213 <a·id="a198f8b5602772dc72f96929a958ce8a3"·name="a198f8b5602772dc72f96929a958ce8a3"></a>213 <a·id="a198f8b5602772dc72f96929a958ce8a3"·name="a198f8b5602772dc72f96929a958ce8a3"></a>
214 <h2·class="memtitle"><span·class="permalink"><a·href="#a198f8b5602772dc72f96929a958ce8a3">&#9670;&nbsp;</a></span>Lipophilic()·<span·class="overload">[1/2]</span></h2>214 <h2·class="memtitle"><span·class="permalink"><a·href="#a198f8b5602772dc72f96929a958ce8a3">&#9670;&nbsp;</a></span>Lipophilic()·<span·class="overload">[1/2]</span></h2>
  
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8 <title>BALL:·rombergIntegrator.h·File·Reference</title>8 <title>BALL:·SASVertex.h·File·Reference</title>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">rombergIntegrator.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">SASVertex.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/dfb/a01874_source.html">BALL/MATHS/numericalIntegrator.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/db3/a01751_source.html">BALL/STRUCTURE/graphVertex.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
75 </div>76 </div>
76 <p><a·href="../../d0/d4a/a01862_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d0/d4a/a01862_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">78 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>80 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dd4/a04894.html">BALL::RombergIntegrator&lt;·Function,·DataType·&gt;</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dcc/a07138.html">BALL::SASVertex</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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84 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 88 </table><table·class="memberdecls">
 89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 90 Functions</h2></td></tr>
 91 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>
 92 <tr·class="memitem:gaabdd319478a7cf1db2ec4c4dfcc5481f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gaabdd319478a7cf1db2ec4c4dfcc5481f">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·SASVertex·&amp;sasvertex)</td></tr>
 93 <tr·class="separator:gaabdd319478a7cf1db2ec4c4dfcc5481f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table>94 </table>
88 </div><!--·contents·-->95 </div><!--·contents·-->
89 <!--·start·footer·part·-->96 <!--·start·footer·part·-->
90 <hr·class="footer"/><address·class="footer"><small>97 <hr·class="footer"/><address·class="footer"><small>
91 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.498 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 ··<div·class="headertitle"><div·class="title">BALL::PubChemDownloader·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PubChemDownloader·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p>Downloads·PubChem·entries.··75 <p>Downloads·PubChem·entries.··
76 ·<a·href="../../d0/d4c/a04422.html#details">More...</a></p>76 ·<a·href="../../d0/d4c/a04422.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../da/d24/a00068_source.html">BALL/FORMAT/pubchemDownloader.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d5/da3/a00953_source.html">BALL/FORMAT/pubchemDownloader.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
80 Public·Member·Functions</h2></td></tr>80 Public·Member·Functions</h2></td></tr>
81 <tr·class="memitem:a3bf2ac0e08a39dc99abeb39cf40b307f"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d4c/a04422.html#a3bf2ac0e08a39dc99abeb39cf40b307f">PubChemDownloader</a>·()</td></tr>81 <tr·class="memitem:a3bf2ac0e08a39dc99abeb39cf40b307f"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d4c/a04422.html#a3bf2ac0e08a39dc99abeb39cf40b307f">PubChemDownloader</a>·()</td></tr>
82 <tr·class="separator:a3bf2ac0e08a39dc99abeb39cf40b307f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a3bf2ac0e08a39dc99abeb39cf40b307f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a65840571f4ea73e1793124c3bd1b94b4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d4c/a04422.html#a65840571f4ea73e1793124c3bd1b94b4">downloadSDFByName</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;query,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;filename)</td></tr>83 <tr·class="memitem:a65840571f4ea73e1793124c3bd1b94b4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d4c/a04422.html#a65840571f4ea73e1793124c3bd1b94b4">downloadSDFByName</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;query,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;filename)</td></tr>
84 <tr·class="separator:a65840571f4ea73e1793124c3bd1b94b4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a65840571f4ea73e1793124c3bd1b94b4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 <tr·class="memitem:a442f11b21978019f8fecfeb0e9a448af"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d4c/a04422.html#a442f11b21978019f8fecfeb0e9a448af">downloadSDFByCID</a>·(int·cid,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;filename)</td></tr>85 <tr·class="memitem:a442f11b21978019f8fecfeb0e9a448af"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d4c/a04422.html#a442f11b21978019f8fecfeb0e9a448af">downloadSDFByCID</a>·(int·cid,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;filename)</td></tr>
86 <tr·class="separator:a442f11b21978019f8fecfeb0e9a448af"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:a442f11b21978019f8fecfeb0e9a448af"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table>87 </table>
88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
89 <div·class="textblock"><p·>Downloads·PubChem·entries.·</p>89 <div·class="textblock"><p·>Downloads·PubChem·entries.·</p>
90 <p·>This·class·provides·a·simplistic,·blocking·interface·to·the·PubChem·REST·query·interface.·It·downloads·the·obtained·records·in·SDF·format·and·</p>90 <p·>This·class·provides·a·simplistic,·blocking·interface·to·the·PubChem·REST·query·interface.·It·downloads·the·obtained·records·in·SDF·format·and·</p>
  
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d24/a00068_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../da/d24/a00068_source.html">pubchemDownloader.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da3/a00953_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d5/da3/a00953_source.html">pubchemDownloader.h</a>.</p>
92 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>92 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
93 <a·id="a3bf2ac0e08a39dc99abeb39cf40b307f"·name="a3bf2ac0e08a39dc99abeb39cf40b307f"></a>93 <a·id="a3bf2ac0e08a39dc99abeb39cf40b307f"·name="a3bf2ac0e08a39dc99abeb39cf40b307f"></a>
94 <h2·class="memtitle"><span·class="permalink"><a·href="#a3bf2ac0e08a39dc99abeb39cf40b307f">&#9670;&nbsp;</a></span>PubChemDownloader()</h2>94 <h2·class="memtitle"><span·class="permalink"><a·href="#a3bf2ac0e08a39dc99abeb39cf40b307f">&#9670;&nbsp;</a></span>PubChemDownloader()</h2>
  
95 <div·class="memitem">95 <div·class="memitem">
96 <div·class="memproto">96 <div·class="memproto">
97 ······<table·class="memname">97 ······<table·class="memname">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="../../d6/d7d/a04707.html">List·of·all·members</a>··</div>72 <a·href="../../d6/d7d/a04707.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::NumberOfBondsPredicate·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::NumberOfBondsPredicate·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::NumberOfBondsPredicate:</div>78 Inheritance·diagram·for·BALL::NumberOfBondsPredicate:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d0/d51/a04710.png"·usemap="#BALL::NumberOfBondsPredicate_map"·alt=""/>81 ··<img·src="../../d0/d51/a04710.png"·usemap="#BALL::NumberOfBondsPredicate_map"·alt=""/>
82 ··<map·id="BALL::NumberOfBondsPredicate_map"·name="BALL::NumberOfBondsPredicate_map">82 ··<map·id="BALL::NumberOfBondsPredicate_map"·name="BALL::NumberOfBondsPredicate_map">
83 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="107,112,311,136"/>83 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="107,112,311,136"/>
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129 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>129 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
130 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>130 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
131 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>131 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
132 </table>132 </table>
133 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>133 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
134 <div·class="textblock"><p·>Predicate·class·for·atoms·bearing·a·certain·number·of·bonds.·Arguments·of·this·class·are·<b>·required·</b>·to·consist·of·an·relational·operator·and·a·number·between·1·and·8.·The·default·is·"&gt;0"·which·means·that·the·atom·under·siege·has·to·bear·at·least·one·bond·to·make·this·predicate's·operator·()·()·return·true.·</p>134 <div·class="textblock"><p·>Predicate·class·for·atoms·bearing·a·certain·number·of·bonds.·Arguments·of·this·class·are·<b>·required·</b>·to·consist·of·an·relational·operator·and·a·number·between·1·and·8.·The·default·is·"&gt;0"·which·means·that·the·atom·under·siege·has·to·bear·at·least·one·bond·to·make·this·predicate's·operator·()·()·return·true.·</p>
  
135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00353">353</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00353">353</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
136 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>136 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
137 <a·id="ac5506ac0513f1b987e22741f11702ce7"·name="ac5506ac0513f1b987e22741f11702ce7"></a>137 <a·id="ac5506ac0513f1b987e22741f11702ce7"·name="ac5506ac0513f1b987e22741f11702ce7"></a>
138 <h2·class="memtitle"><span·class="permalink"><a·href="#ac5506ac0513f1b987e22741f11702ce7">&#9670;&nbsp;</a></span>NumberOfBondsPredicate()</h2>138 <h2·class="memtitle"><span·class="permalink"><a·href="#ac5506ac0513f1b987e22741f11702ce7">&#9670;&nbsp;</a></span>NumberOfBondsPredicate()</h2>
  
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63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li><li·class="navelem"><a·class="el"·href="../../dir_6ac6220cac5eaca96612654e61f12e3a.html">BONDORDERS</a></li>··</ul>
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68 ··<div·class="headertitle"><div·class="title">molmec.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">ILPBondOrderStrategy.h·File·Reference</div></div>
69 </div><!--header-->73 </div><!--header-->
70 <div·class="contents">74 <div·class="contents">
 75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d53/a01688_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignmentStrategy.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d4/d26/a01700_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignment.h</a>&gt;</code><br·/>
71 <div·class="textblock"><code>#include·&lt;BALL/MOLMEC/amber.h&gt;</code><br·/> 
72 <code>#include·&lt;BALL/MOLMEC/common.h&gt;</code><br·/> 
73 <code>#include·&lt;BALL/MOLMEC/mdsimulation.h&gt;</code><br·/> 
74 <code>#include·&lt;BALL/MOLMEC/minimization.h&gt;</code><br·/> 
75 <code>#include·&lt;BALL/MOLMEC/parameter.h&gt;</code><br·/> 
76 </div>77 </div>
77 <p><a·href="../../d0/d54/a01691_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d0/d54/a01691_source.html">Go·to·the·source·code·of·this·file.</a></p>
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 86 Namespaces</h2></td></tr>
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 89 </table><table·class="memberdecls">
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 91 Typedefs</h2></td></tr>
 92 <tr·class="memitem:afe42f1373b9ee8d824b5cad6a22d24c6"><td·class="memItemLeft"·align="right"·valign="top">typedef·struct·_lprec&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d54/a01691.html#afe42f1373b9ee8d824b5cad6a22d24c6">lprec</a></td></tr>
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 94 </table>
 95 <h2·class="groupheader">Typedef·Documentation</h2>
 96 <a·id="afe42f1373b9ee8d824b5cad6a22d24c6"·name="afe42f1373b9ee8d824b5cad6a22d24c6"></a>
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 106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d54/a01691_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../d0/d54/a01691_source.html">ILPBondOrderStrategy.h</a>.</p>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_0f44562fa0092558829ef2f34049a706.html">MODELS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">ballAndStickModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">fieldLinesDialog.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
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74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d61/a01205_source.html">BALL/VIEW/MODELS/atomBondModelBaseProcessor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d1/dde/a01496_source.html">BALL/VIEW/MODELS/fieldLineCreator.h</a>&gt;</code><br·/>
76 <code>#include·&lt;BALL/VIEW/MODELS/ballAndStickModel.iC&gt;</code><br·/>76 <code>#include·&lt;BALL/VIEW/UIC/ui_fieldLinesDialog.h&gt;</code><br·/>
77 </div>77 </div>
78 <p><a·href="../../d0/d5a/a01199_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d0/d5a/a01199_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">79 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>81 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7a/a08030.html">BALL::VIEW::AddBallAndStickModel</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d42/a07610.html">BALL::VIEW::FieldLinesDialog</a></td></tr>
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86 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
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88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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70 <a·href="../../d2/d72/a05567.html">List·of·all·members</a>··</div>70 <a·href="../../d2/d72/a05567.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::PyDatasetVector·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d5/d63/a02123.html">Python</a>·&raquo;·<a·class="el"·href="../../d5/ddd/a02184.html">Python·extensions</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::PyDatasetVector·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d5/d63/a02123.html">Python</a>·&raquo;·<a·class="el"·href="../../d5/ddd/a02184.html">Python·extensions</a></div></div></div>
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73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d6/d7d/a00161_source.html">BALL/PYTHON/EXTENSIONS/pyDatasetVector.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a00305_source.html">BALL/PYTHON/EXTENSIONS/pyDatasetVector.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::PyDatasetVector:</div>76 Inheritance·diagram·for·BALL::PyDatasetVector:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
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109 <tr·class="memitem:a7d4d0c12974e230560b95ede833e65d5"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d5e/a05570.html#a7d4d0c12974e230560b95ede833e65d5">~PyDatasetVector</a>·()··throw·()</td></tr>109 <tr·class="memitem:a7d4d0c12974e230560b95ede833e65d5"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d5e/a05570.html#a7d4d0c12974e230560b95ede833e65d5">~PyDatasetVector</a>·()··throw·()</td></tr>
110 <tr·class="memdesc:a7d4d0c12974e230560b95ede833e65d5"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Destructor.··<a·href="../../d0/d5e/a05570.html#a7d4d0c12974e230560b95ede833e65d5">More...</a><br·/></td></tr>110 <tr·class="memdesc:a7d4d0c12974e230560b95ede833e65d5"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Destructor.··<a·href="../../d0/d5e/a05570.html#a7d4d0c12974e230560b95ede833e65d5">More...</a><br·/></td></tr>
111 <tr·class="separator:a7d4d0c12974e230560b95ede833e65d5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>111 <tr·class="separator:a7d4d0c12974e230560b95ede833e65d5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
114 <div·class="textblock"><p·>Equivalent·for·a·STL::Vector·of·Dataset·Pointers·in·Python·</p>114 <div·class="textblock"><p·>Equivalent·for·a·STL::Vector·of·Dataset·Pointers·in·Python·</p>
  
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124 ········</tr>124 ········</tr>
125 ······</table>125 ······</table>
126 </div><div·class="memdoc">126 </div><div·class="memdoc">
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128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d7d/a00161_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d6/d7d/a00161_source.html">pyDatasetVector.h</a>.</p>128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a00305_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d3/d07/a00305_source.html">pyDatasetVector.h</a>.</p>
  
129 </div>129 </div>
130 </div>130 </div>
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132 <h2·class="memtitle"><span·class="permalink"><a·href="#a636e928c2906fece1fa53aada51d5c58">&#9670;&nbsp;</a></span>Iterator</h2>132 <h2·class="memtitle"><span·class="permalink"><a·href="#a636e928c2906fece1fa53aada51d5c58">&#9670;&nbsp;</a></span>Iterator</h2>
  
133 <div·class="memitem">133 <div·class="memitem">
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143 ········</tr>143 ········</tr>
144 ······</table>144 ······</table>
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146 <p·>Iterator·type.·</p>146 <p·>Iterator·type.·</p>
  
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160 ········</tr>160 ········</tr>
161 ······</table>161 ······</table>
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163 <p·>Pointer·type·</p>163 <p·>Pointer·type·</p>
  
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177 ········</tr>177 ········</tr>
178 ······</table>178 ······</table>
179 </div><div·class="memdoc">179 </div><div·class="memdoc">
180 <p·>Dataset*·type·</p>180 <p·>Dataset*·type·</p>
  
181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d7d/a00161_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d6/d7d/a00161_source.html">pyDatasetVector.h</a>.</p>181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a00305_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d3/d07/a00305_source.html">pyDatasetVector.h</a>.</p>
  
182 </div>182 </div>
183 </div>183 </div>
184 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>184 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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186 <h2·class="memtitle"><span·class="permalink"><a·href="#a4a28c9c413a6d81a15268766489945a8">&#9670;&nbsp;</a></span>PyDatasetVector()·<span·class="overload">[1/3]</span></h2>186 <h2·class="memtitle"><span·class="permalink"><a·href="#a4a28c9c413a6d81a15268766489945a8">&#9670;&nbsp;</a></span>PyDatasetVector()·<span·class="overload">[1/3]</span></h2>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_fdd4deb6e7660eceda5e61c32b248f16.html">PLUGIN</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
65 </div>65 </div>
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69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">modularWidgetPluginHandler.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">bondProperties.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d3e/a01676_source.html">BALL/PLUGIN/pluginHandler.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;BALL/VIEW/UIC/ui_bondProperties.h&gt;</code><br·/>
76 </div>77 </div>
77 <p><a·href="../../d0/d67/a01232_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d0/d67/a01232_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">79 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>81 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d40/a08146.html">BALL::VIEW::ModularWidgetPluginHandler</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dc0/a07542.html">BALL::VIEW::BondProperties</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table><table·class="memberdecls">84 </table><table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
85 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>89 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d0/d5e/a04655.html">List·of·all·members</a>··</div>71 <a·href="../../d0/d5e/a04655.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::AtomTypePredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::AtomTypePredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::AtomTypePredicate:</div>77 Inheritance·diagram·for·BALL::AtomTypePredicate:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d0/d70/a04658.png"·usemap="#BALL::AtomTypePredicate_map"·alt=""/>80 ··<img·src="../../d0/d70/a04658.png"·usemap="#BALL::AtomTypePredicate_map"·alt=""/>
81 ··<map·id="BALL::AtomTypePredicate_map"·name="BALL::AtomTypePredicate_map">81 ··<map·id="BALL::AtomTypePredicate_map"·name="BALL::AtomTypePredicate_map">
82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Predicate·for·matching·atom·types.·Returns·<code>true</code>,·if·the·type·name·of·the·atom·matches·exactly·the·argument·of·this·predicate.·</p>122 <div·class="textblock"><p·>Predicate·for·matching·atom·types.·Returns·<code>true</code>,·if·the·type·name·of·the·atom·matches·exactly·the·argument·of·this·predicate.·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
125 <a·id="af6b134a31aad59351d207b7ff4a61b0c"·name="af6b134a31aad59351d207b7ff4a61b0c"></a>125 <a·id="af6b134a31aad59351d207b7ff4a61b0c"·name="af6b134a31aad59351d207b7ff4a61b0c"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#af6b134a31aad59351d207b7ff4a61b0c">&#9670;&nbsp;</a></span>operator()()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#af6b134a31aad59351d207b7ff4a61b0c">&#9670;&nbsp;</a></span>operator()()</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
128 <div·class="memproto">128 <div·class="memproto">
129 <table·class="mlabels">129 <table·class="mlabels">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../d1/d46/a03691.html">List·of·all·members</a>··</div>72 <a·href="../../d1/d46/a03691.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::ClusterProperties·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::ClusterProperties·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d3/d87/a00539_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d5/d10/a01571_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a41fa45a16693f60243230829b1c5171e"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d76/a03694.html#a41fa45a16693f60243230829b1c5171e">ClusterProperties</a>·()</td></tr>80 <tr·class="memitem:a41fa45a16693f60243230829b1c5171e"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d76/a03694.html#a41fa45a16693f60243230829b1c5171e">ClusterProperties</a>·()</td></tr>
81 <tr·class="separator:a41fa45a16693f60243230829b1c5171e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a41fa45a16693f60243230829b1c5171e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:ade2d03c3c1016d74dda5efcdd0a0c0b3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d76/a03694.html#ade2d03c3c1016d74dda5efcdd0a0c0b3">ClusterProperties</a>·(const·<a·class="el"·href="../../d0/d76/a03694.html">ClusterProperties</a>·&amp;)</td></tr>82 <tr·class="memitem:ade2d03c3c1016d74dda5efcdd0a0c0b3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d76/a03694.html#ade2d03c3c1016d74dda5efcdd0a0c0b3">ClusterProperties</a>·(const·<a·class="el"·href="../../d0/d76/a03694.html">ClusterProperties</a>·&amp;)</td></tr>
83 <tr·class="separator:ade2d03c3c1016d74dda5efcdd0a0c0b3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:ade2d03c3c1016d74dda5efcdd0a0c0b3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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101 <tr·class="memitem:ae39fc14e9736a8e1d6b0160b94868e19"><td·class="memItemLeft"·align="right"·valign="top">boost::variant&lt;·Eigen::VectorXf,·<a·class="el"·href="../../d4/d5e/a03686.html">RigidTransformation</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d76/a03694.html#ae39fc14e9736a8e1d6b0160b94868e19">center</a></td></tr>101 <tr·class="memitem:ae39fc14e9736a8e1d6b0160b94868e19"><td·class="memItemLeft"·align="right"·valign="top">boost::variant&lt;·Eigen::VectorXf,·<a·class="el"·href="../../d4/d5e/a03686.html">RigidTransformation</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d76/a03694.html#ae39fc14e9736a8e1d6b0160b94868e19">center</a></td></tr>
102 <tr·class="separator:ae39fc14e9736a8e1d6b0160b94868e19"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:ae39fc14e9736a8e1d6b0160b94868e19"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 <tr·class="memitem:ad37fb903691ddd2cf09d44a9da888e5b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d76/a03694.html#ad37fb903691ddd2cf09d44a9da888e5b">merged_at</a></td></tr>103 <tr·class="memitem:ad37fb903691ddd2cf09d44a9da888e5b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d76/a03694.html#ad37fb903691ddd2cf09d44a9da888e5b">merged_at</a></td></tr>
104 <tr·class="separator:ad37fb903691ddd2cf09d44a9da888e5b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:ad37fb903691ddd2cf09d44a9da888e5b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 </table>105 </table>
106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
107 <div·class="textblock">107 <div·class="textblock">
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00228">228</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00228">228</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
110 <a·id="a41fa45a16693f60243230829b1c5171e"·name="a41fa45a16693f60243230829b1c5171e"></a>110 <a·id="a41fa45a16693f60243230829b1c5171e"·name="a41fa45a16693f60243230829b1c5171e"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#a41fa45a16693f60243230829b1c5171e">&#9670;&nbsp;</a></span>ClusterProperties()·<span·class="overload">[1/3]</span></h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#a41fa45a16693f60243230829b1c5171e">&#9670;&nbsp;</a></span>ClusterProperties()·<span·class="overload">[1/3]</span></h2>
  
112 <div·class="memitem">112 <div·class="memitem">
113 <div·class="memproto">113 <div·class="memproto">
114 ······<table·class="memname">114 ······<table·class="memname">
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238 ········<tr>238 ········<tr>
239 ··········<td·class="memname">boost::variant&lt;Eigen::VectorXf,·<a·class="el"·href="../../d4/d5e/a03686.html">RigidTransformation</a>&gt;·BALL::PoseClustering::ClusterProperties::center</td>239 ··········<td·class="memname">boost::variant&lt;Eigen::VectorXf,·<a·class="el"·href="../../d4/d5e/a03686.html">RigidTransformation</a>&gt;·BALL::PoseClustering::ClusterProperties::center</td>
240 ········</tr>240 ········</tr>
241 ······</table>241 ······</table>
242 </div><div·class="memdoc">242 </div><div·class="memdoc">
243 <p·>The·center·of·the·cluster.·Depending·on·the·type·of·transformations·we·allow,·this·is·either·stored·as·a·rigid·transformation·or·as·the·3N-dimensional·vector·given·by·the·atom·coordinates.·The·special·case·of·using·only·the·center·of·mass·is·achieved·by·setting·the·rotation·matrix·to·identity.·</p>243 <p·>The·center·of·the·cluster.·Depending·on·the·type·of·transformations·we·allow,·this·is·either·stored·as·a·rigid·transformation·or·as·the·3N-dimensional·vector·given·by·the·atom·coordinates.·The·special·case·of·using·only·the·center·of·mass·is·achieved·by·setting·the·rotation·matrix·to·identity.·</p>
  
244 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00260">260</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>244 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00260">260</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
245 </div>245 </div>
246 </div>246 </div>
247 <a·id="ad37fb903691ddd2cf09d44a9da888e5b"·name="ad37fb903691ddd2cf09d44a9da888e5b"></a>247 <a·id="ad37fb903691ddd2cf09d44a9da888e5b"·name="ad37fb903691ddd2cf09d44a9da888e5b"></a>
248 <h2·class="memtitle"><span·class="permalink"><a·href="#ad37fb903691ddd2cf09d44a9da888e5b">&#9670;&nbsp;</a></span>merged_at</h2>248 <h2·class="memtitle"><span·class="permalink"><a·href="#ad37fb903691ddd2cf09d44a9da888e5b">&#9670;&nbsp;</a></span>merged_at</h2>
  
249 <div·class="memitem">249 <div·class="memitem">
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255 ········<tr>255 ········<tr>
256 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::PoseClustering::ClusterProperties::merged_at</td>256 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::PoseClustering::ClusterProperties::merged_at</td>
257 ········</tr>257 ········</tr>
258 ······</table>258 ······</table>
259 </div><div·class="memdoc">259 </div><div·class="memdoc">
260 <p·>The·value·at·which·this·cluster·is·merged·with·its·sibling.·</p>260 <p·>The·value·at·which·this·cluster·is·merged·with·its·sibling.·</p>
  
261 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00264">264</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>261 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00264">264</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
262 </div>262 </div>
263 </div>263 </div>
264 <a·id="abb0c33758ae8b9f747fa6a956263b35e"·name="abb0c33758ae8b9f747fa6a956263b35e"></a>264 <a·id="abb0c33758ae8b9f747fa6a956263b35e"·name="abb0c33758ae8b9f747fa6a956263b35e"></a>
265 <h2·class="memtitle"><span·class="permalink"><a·href="#abb0c33758ae8b9f747fa6a956263b35e">&#9670;&nbsp;</a></span>poses</h2>265 <h2·class="memtitle"><span·class="permalink"><a·href="#abb0c33758ae8b9f747fa6a956263b35e">&#9670;&nbsp;</a></span>poses</h2>
  
266 <div·class="memitem">266 <div·class="memitem">
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272 ········<tr>272 ········<tr>
273 ··········<td·class="memname">std::set&lt;<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>&gt;·BALL::PoseClustering::ClusterProperties::poses</td>273 ··········<td·class="memname">std::set&lt;<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>&gt;·BALL::PoseClustering::ClusterProperties::poses</td>
274 ········</tr>274 ········</tr>
275 ······</table>275 ······</table>
276 </div><div·class="memdoc">276 </div><div·class="memdoc">
277 <p·>The·poses·contained·in·this·cluster.·</p>277 <p·>The·poses·contained·in·this·cluster.·</p>
  
278 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00246">246</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>278 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00246">246</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
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282 <h2·class="memtitle"><span·class="permalink"><a·href="#a6fe96c9030d053ea317c93e1ed6f0bae">&#9670;&nbsp;</a></span>size</h2>282 <h2·class="memtitle"><span·class="permalink"><a·href="#a6fe96c9030d053ea317c93e1ed6f0bae">&#9670;&nbsp;</a></span>size</h2>
  
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290 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·BALL::PoseClustering::ClusterProperties::size</td>290 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·BALL::PoseClustering::ClusterProperties::size</td>
291 ········</tr>291 ········</tr>
292 ······</table>292 ······</table>
293 </div><div·class="memdoc">293 </div><div·class="memdoc">
294 <p·>The·number·of·poses·contained·in·this·cluster.·</p>294 <p·>The·number·of·poses·contained·in·this·cluster.·</p>
  
295 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00250">250</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>295 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00250">250</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">claverieParameter.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">RSVertex.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d98/a00107_source.html">BALL/FORMAT/parameters.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/db3/a01751_source.html">BALL/STRUCTURE/graphVertex.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d3/d00/a00113_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../dd/d7e/a00809_source.html">BALL/MOLMEC/PARAMETER/forceFieldParameters.h</a>&gt;</code><br·/> 
77 </div>75 </div>
78 <p><a·href="../../d0/d79/a01766_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d0/d79/a01766_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">77 <table·class="memberdecls">
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86 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 87 </table><table·class="memberdecls">
 88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 89 Functions</h2></td></tr>
 90 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>
 91 <tr·class="memitem:ga7f5ef705f805eba2df93fb129137793e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga7f5ef705f805eba2df93fb129137793e">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·RSVertex·&amp;rsvertex)</td></tr>
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92 <hr·class="footer"/><address·class="footer"><small>96 <hr·class="footer"/><address·class="footer"><small>
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72 ··<div·class="headertitle"><div·class="title">BALL::Exception::Precondition·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::Precondition·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Exception::Precondition:</div>77 Inheritance·diagram·for·BALL::Exception::Precondition:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
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136 <div·class="textblock"><p·><a·class="el"·href="../../d0/d7e/a03138.html">Precondition</a>·failed.·A·precondition·(as·defined·by·BALL_PRECONDITION_EXCEPTION)·has·failed.·</p>136 <div·class="textblock"><p·><a·class="el"·href="../../d0/d7e/a03138.html">Precondition</a>·failed.·A·precondition·(as·defined·by·BALL_PRECONDITION_EXCEPTION)·has·failed.·</p>
  
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73 <div·class="contents">66 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/MOLMEC/MINIMIZATION/energyMinimizer.h</a>&gt;</code><br·/> 
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76 </div> 
77 <p><a·href="../../d0/d82/a00857_source.html">Go·to·the·source·code·of·this·file.</a></p> 
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75 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/> 
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 76 <code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_3df5a5ad7754ea960e604448eda1468f.html">DATATYPE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">assignBondOrderResultsDialog.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">vertex1.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d10/a01571_source.html">BALL/VIEW/WIDGETS/SDWidget.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
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76 <code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/STRUCTURE/assignBondOrderProcessor.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;BALL/VIEW/UIC/ui_assignBondOrderResultsDialog.h&gt;</code><br·/> 
78 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/> 
79 <code>#include·&lt;map&gt;</code><br·/> 
80 </div>77 </div>
81 <p><a·href="../../d0/d85/a01352_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d0/d85/a01352_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls">79 <table·class="memberdecls">
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>
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66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#define-members">Macros</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">CIFFile.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">bendComponent.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/dbe/a01706_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d9/d17/a01937_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d5/db5/a00374_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../db/dab/a00089_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>
78 <code>#include·&lt;map&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d6/db8/a00158_source.html">BALL/MOLMEC/PARAMETER/quadraticAngleBend.h</a>&gt;</code><br·/>
79 </div>77 </div>
80 <p><a·href="../../d0/d89/a00071_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d0/d89/a00071_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls">79 <table·class="memberdecls">
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
83 Classes</h2></td></tr>81 Classes</h2></td></tr>
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d2a/a03850.html">BALL::CIFFile</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dc7/a05066.html">BALL::BendComponent</a></td></tr>
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d83/a03854.html">BALL::CIFFile::Item</a></td></tr> 
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d61/a03858.html">BALL::CIFFile::SaveFrame</a></td></tr> 
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d31/a03862.html">BALL::CIFFile::Datacontent</a></td></tr> 
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d06/a03866.html">BALL::CIFFile::Datablock</a></td></tr> 
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/db8/a03870.html">BALL::CIFFile::State</a></td></tr> 
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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98 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
99 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 </table><table·class="memberdecls"> 
102 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
103 Macros</h2></td></tr> 
104 <tr·class="memitem:ab45d0e74c5682e547513a407ac99df80"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d89/a00071.html#ab45d0e74c5682e547513a407ac99df80">CIFPARSER_LINE_LENGTH</a>&#160;&#160;&#160;2550</td></tr> 
105 <tr·class="separator:ab45d0e74c5682e547513a407ac99df80"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
106 </table>89 </table>
107 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
108 <a·id="ab45d0e74c5682e547513a407ac99df80"·name="ab45d0e74c5682e547513a407ac99df80"></a> 
109 <h2·class="memtitle"><span·class="permalink"><a·href="#ab45d0e74c5682e547513a407ac99df80">&#9670;&nbsp;</a></span>CIFPARSER_LINE_LENGTH</h2> 
  
110 <div·class="memitem"> 
111 <div·class="memproto"> 
112 ······<table·class="memname"> 
113 ········<tr> 
114 ··········<td·class="memname">#define·CIFPARSER_LINE_LENGTH&#160;&#160;&#160;2550</td> 
115 ········</tr> 
116 ······</table> 
117 </div><div·class="memdoc"> 
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d89/a00071_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d0/d89/a00071_source.html">CIFFile.h</a>.</p> 
  
119 </div> 
120 </div> 
121 </div><!--·contents·-->90 </div><!--·contents·-->
122 <!--·start·footer·part·-->91 <!--·start·footer·part·-->
123 <hr·class="footer"/><address·class="footer"><small>92 <hr·class="footer"/><address·class="footer"><small>
124 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.493 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MDSimulationThread·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MDSimulationThread·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p>Thread·for·MDSimulation.··76 <p>Thread·for·MDSimulation.··
77 ·<a·href="../../d0/d89/a08006.html#details">More...</a></p>77 ·<a·href="../../d0/d89/a08006.html#details">More...</a></p>
  
78 <p><code>#include·&lt;<a·class="el"·href="../../dd/d09/a01118_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
80 Inheritance·diagram·for·BALL::VIEW::MDSimulationThread:</div>80 Inheritance·diagram·for·BALL::VIEW::MDSimulationThread:</div>
81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../d0/d89/a08006.png"·usemap="#BALL::VIEW::MDSimulationThread_map"·alt=""/>83 ··<img·src="../../d0/d89/a08006.png"·usemap="#BALL::VIEW::MDSimulationThread_map"·alt=""/>
84 ··<map·id="BALL::VIEW::MDSimulationThread_map"·name="BALL::VIEW::MDSimulationThread_map">84 ··<map·id="BALL::VIEW::MDSimulationThread_map"·name="BALL::VIEW::MDSimulationThread_map">
85 <area·href="../../df/d00/a07998.html"·alt="BALL::VIEW::SimulationThread"·shape="rect"·coords="0,112,203,136"/>85 <area·href="../../df/d00/a07998.html"·alt="BALL::VIEW::SimulationThread"·shape="rect"·coords="0,112,203,136"/>
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163 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>163 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
164 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>164 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>
165 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>165 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
166 </table>166 </table>
167 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>167 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
168 <div·class="textblock"><p·>Thread·for·MDSimulation.·</p>168 <div·class="textblock"><p·>Thread·for·MDSimulation.·</p>
  
169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00244">244</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00244">244</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
170 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>170 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
171 <a·id="a3d17f99e9aaab54cc313ff50b839c65f"·name="a3d17f99e9aaab54cc313ff50b839c65f"></a>171 <a·id="a3d17f99e9aaab54cc313ff50b839c65f"·name="a3d17f99e9aaab54cc313ff50b839c65f"></a>
172 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d17f99e9aaab54cc313ff50b839c65f">&#9670;&nbsp;</a></span>MDSimulationThread()</h2>172 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d17f99e9aaab54cc313ff50b839c65f">&#9670;&nbsp;</a></span>MDSimulationThread()</h2>
  
173 <div·class="memitem">173 <div·class="memitem">
174 <div·class="memproto">174 <div·class="memproto">
175 ······<table·class="memname">175 ······<table·class="memname">
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283 ··</td>283 ··</td>
284 ··<td·class="mlabels-right">284 ··<td·class="mlabels-right">
285 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>285 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
286 ··</tr>286 ··</tr>
287 </table>287 </table>
288 </div><div·class="memdoc">288 </div><div·class="memdoc">
  
289 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00262">262</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>289 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00262">262</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
290 </div>290 </div>
291 </div>291 </div>
292 <a·id="a43d24373c034ab8f4ac4f96d9904c293"·name="a43d24373c034ab8f4ac4f96d9904c293"></a>292 <a·id="a43d24373c034ab8f4ac4f96d9904c293"·name="a43d24373c034ab8f4ac4f96d9904c293"></a>
293 <h2·class="memtitle"><span·class="permalink"><a·href="#a43d24373c034ab8f4ac4f96d9904c293">&#9670;&nbsp;</a></span>setSaveImages()</h2>293 <h2·class="memtitle"><span·class="permalink"><a·href="#a43d24373c034ab8f4ac4f96d9904c293">&#9670;&nbsp;</a></span>setSaveImages()</h2>
  
294 <div·class="memitem">294 <div·class="memitem">
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311 ··</td>311 ··</td>
312 ··<td·class="mlabels-right">312 ··<td·class="mlabels-right">
313 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>313 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
314 ··</tr>314 ··</tr>
315 </table>315 </table>
316 </div><div·class="memdoc">316 </div><div·class="memdoc">
  
317 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00265">265</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>317 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00265">265</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
318 </div>318 </div>
319 </div>319 </div>
320 <h2·class="groupheader">Member·Data·Documentation</h2>320 <h2·class="groupheader">Member·Data·Documentation</h2>
321 <a·id="aec1e9baa3a21c4331d5f0fcf3f2deca1"·name="aec1e9baa3a21c4331d5f0fcf3f2deca1"></a>321 <a·id="aec1e9baa3a21c4331d5f0fcf3f2deca1"·name="aec1e9baa3a21c4331d5f0fcf3f2deca1"></a>
322 <h2·class="memtitle"><span·class="permalink"><a·href="#aec1e9baa3a21c4331d5f0fcf3f2deca1">&#9670;&nbsp;</a></span>md_</h2>322 <h2·class="memtitle"><span·class="permalink"><a·href="#aec1e9baa3a21c4331d5f0fcf3f2deca1">&#9670;&nbsp;</a></span>md_</h2>
  
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336 ··</td>336 ··</td>
337 ··<td·class="mlabels-right">337 ··<td·class="mlabels-right">
338 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>338 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
339 ··</tr>339 ··</tr>
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73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SnapshotManagerInterface·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SnapshotManagerInterface·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d9/d10/a01103_source.html">BALL/VIEW/KERNEL/snapshotManagerInterface.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d9/db3/a01064_source.html">BALL/VIEW/KERNEL/snapshotManagerInterface.h</a>&gt;</code></p>
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80 <tr·class="memitem:acd1554344b1891fad525b9417b59de06"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d8c/a07958.html#acd1554344b1891fad525b9417b59de06">SnapshotManagerInterface</a>·()</td></tr>80 <tr·class="memitem:acd1554344b1891fad525b9417b59de06"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d8c/a07958.html#acd1554344b1891fad525b9417b59de06">SnapshotManagerInterface</a>·()</td></tr>
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Offset 96, 15 lines modifiedOffset 96, 15 lines modified
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101 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>101 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
102 <div·class="textblock">102 <div·class="textblock">
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104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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266 ··</td>266 ··</td>
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73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RotateMode·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RotateMode·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/MODES/rotateMode.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../de/def/a01016_source.html">BALL/VIEW/KERNEL/MODES/rotateMode.h</a>&gt;</code></p>
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198 <div·class="textblock">198 <div·class="textblock">
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202 <h2·class="memtitle"><span·class="permalink"><a·href="#ab744c29e1504ebcd1d55ff99d0f8b3c4">&#9670;&nbsp;</a></span>RotateMode()</h2>202 <h2·class="memtitle"><span·class="permalink"><a·href="#ab744c29e1504ebcd1d55ff99d0f8b3c4">&#9670;&nbsp;</a></span>RotateMode()</h2>
  
203 <div·class="memitem">203 <div·class="memitem">
204 <div·class="memproto">204 <div·class="memproto">
205 ······<table·class="memname">205 ······<table·class="memname">
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298 </div>298 </div>
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">peptideDialog.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">quadMesh.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../df/d9e/a00686_source.html">BALL/STRUCTURE/peptideBuilder.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d8/dbe/a01370_source.html">BALL/VIEW/DATATYPE/colorExtensions.h</a>&gt;</code><br·/>
76 <code>#include·&lt;BALL/VIEW/UIC/ui_peptideDialog.h&gt;</code><br·/> 
77 </div>76 </div>
78 <p><a·href="../../d0/d9b/a01379_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d0/d9b/a01379_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">78 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">solventDescriptor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">solventAccessibleSurface.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d46/a01739_source.html">BALL/STRUCTURE/SASEdge.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../de/dc3/a01787_source.html">BALL/STRUCTURE/SASFace.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d0/d4a/a01862_source.html">BALL/STRUCTURE/SASVertex.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/STRUCTURE/reducedSurface.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>78 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a00293_source.html">BALL/MATHS/sphere3.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;vector&gt;</code><br·/>
76 </div>80 </div>
77 <p><a·href="../../d0/d9d/a01760_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../d0/d9d/a01760_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">82 <table·class="memberdecls">
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82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd2/a06610.html">BALL::SolventDescriptor</a></td></tr>85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d55/a07266.html">BALL::SolventAccessibleSurface</a></td></tr>
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87 Namespaces</h2></td></tr>89 Namespaces</h2></td></tr>
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89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 92 </table><table·class="memberdecls">
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 96 <tr·class="memitem:gac44f1d03fa68f0688ee49d1750be83d0"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gac44f1d03fa68f0688ee49d1750be83d0">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·SolventAccessibleSurface·&amp;sas)</td></tr>
 97 <tr·class="separator:gac44f1d03fa68f0688ee49d1750be83d0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>98 </table>
91 </div><!--·contents·-->99 </div><!--·contents·-->
92 <!--·start·footer·part·-->100 <!--·start·footer·part·-->
93 <hr·class="footer"/><address·class="footer"><small>101 <hr·class="footer"/><address·class="footer"><small>
94 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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96 </body>104 </body>
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75 <code>#include·&lt;<a·class="el"·href="../../d3/deb/a01619_source.html">BALL/CONCEPT/bidirectionalIterator.h</a>&gt;</code><br·/> 
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93 <tr><td·colspan="2"><div·class="groupHeader">Generic·Constant·Random·Access·Iterator</div></td></tr> 
94 <tr·class="memitem:a902d381afb809b157ad674a3087377a1"><td·class="memTemplParams"·colspan="2">template&lt;typename·Container·,·typename·DataType·,·typename·Position·,·typename·Traits·&gt;·</td></tr> 
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72 </div><!--header-->73 </div><!--header-->
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74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d00/a00113_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d8/db7/a00812_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d5/d12/a00794_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code><br·/>
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 92 Macros</h2></td></tr>
 93 <tr·class="memitem:acd344e9aa65175e384e210efb4325118"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dad/a00806.html#acd344e9aa65175e384e210efb4325118">BALL_SELECTABLE_DEFAULT_SELECTION</a>&#160;&#160;&#160;false</td></tr>
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 96 <h2·class="groupheader">Macro·Definition·Documentation</h2>
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73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::UpdateRepresentationThread·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::UpdateRepresentationThread·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../dd/d09/a01118_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
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83 <area·href="../../dc/da9/a07982.html"·alt="BALL::VIEW::BALLThread"·shape="rect"·coords="0,56,249,80"/>83 <area·href="../../dc/da9/a07982.html"·alt="BALL::VIEW::BALLThread"·shape="rect"·coords="0,56,249,80"/>
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129 <tr·class="memdesc:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Sends·the·string·as·outout·to·Log.info.··<a·href="../../dc/da9/a07982.html#a86f8e5eb10fe0cc8fdcf07a1f4bb43f2">More...</a><br·/></td></tr>129 <tr·class="memdesc:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Sends·the·string·as·outout·to·Log.info.··<a·href="../../dc/da9/a07982.html#a86f8e5eb10fe0cc8fdcf07a1f4bb43f2">More...</a><br·/></td></tr>
130 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>130 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
131 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>131 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>
132 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>132 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
133 </table>133 </table>
134 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>134 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
135 <div·class="textblock">135 <div·class="textblock">
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00159">159</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00159">159</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
137 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>137 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
138 <a·id="a36089fdfc0f51572144314d62a0f7311"·name="a36089fdfc0f51572144314d62a0f7311"></a>138 <a·id="a36089fdfc0f51572144314d62a0f7311"·name="a36089fdfc0f51572144314d62a0f7311"></a>
139 <h2·class="memtitle"><span·class="permalink"><a·href="#a36089fdfc0f51572144314d62a0f7311">&#9670;&nbsp;</a></span>UpdateRepresentationThread()</h2>139 <h2·class="memtitle"><span·class="permalink"><a·href="#a36089fdfc0f51572144314d62a0f7311">&#9670;&nbsp;</a></span>UpdateRepresentationThread()</h2>
  
140 <div·class="memitem">140 <div·class="memitem">
141 <div·class="memproto">141 <div·class="memproto">
142 ······<table·class="memname">142 ······<table·class="memname">
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172 ··</td>172 ··</td>
173 ··<td·class="mlabels-right">173 ··<td·class="mlabels-right">
174 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>174 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
175 ··</tr>175 ··</tr>
176 </table>176 </table>
177 </div><div·class="memdoc">177 </div><div·class="memdoc">
  
178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00175">175</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00175">175</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
179 </div>179 </div>
180 </div>180 </div>
181 <a·id="a6198c6596ecccad88f8365431066b930"·name="a6198c6596ecccad88f8365431066b930"></a>181 <a·id="a6198c6596ecccad88f8365431066b930"·name="a6198c6596ecccad88f8365431066b930"></a>
182 <h2·class="memtitle"><span·class="permalink"><a·href="#a6198c6596ecccad88f8365431066b930">&#9670;&nbsp;</a></span>run()</h2>182 <h2·class="memtitle"><span·class="permalink"><a·href="#a6198c6596ecccad88f8365431066b930">&#9670;&nbsp;</a></span>run()</h2>
  
183 <div·class="memitem">183 <div·class="memitem">
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228 ··</td>228 ··</td>
229 ··<td·class="mlabels-right">229 ··<td·class="mlabels-right">
230 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>230 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
231 ··</tr>231 ··</tr>
232 </table>232 </table>
233 </div><div·class="memdoc">233 </div><div·class="memdoc">
  
234 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>234 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
235 </div>235 </div>
236 </div>236 </div>
237 <h2·class="groupheader">Member·Data·Documentation</h2>237 <h2·class="groupheader">Member·Data·Documentation</h2>
238 <a·id="a984cf1366783a39134a1c5bcf77fead9"·name="a984cf1366783a39134a1c5bcf77fead9"></a>238 <a·id="a984cf1366783a39134a1c5bcf77fead9"·name="a984cf1366783a39134a1c5bcf77fead9"></a>
239 <h2·class="memtitle"><span·class="permalink"><a·href="#a984cf1366783a39134a1c5bcf77fead9">&#9670;&nbsp;</a></span>rep_</h2>239 <h2·class="memtitle"><span·class="permalink"><a·href="#a984cf1366783a39134a1c5bcf77fead9">&#9670;&nbsp;</a></span>rep_</h2>
  
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253 ··</td>253 ··</td>
254 ··<td·class="mlabels-right">254 ··<td·class="mlabels-right">
255 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>255 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
256 ··</tr>256 ··</tr>
257 </table>257 </table>
258 </div><div·class="memdoc">258 </div><div·class="memdoc">
  
259 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00180">180</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>259 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00180">180</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
260 </div>260 </div>
261 </div>261 </div>
262 </div><!--·contents·-->262 </div><!--·contents·-->
263 <!--·start·footer·part·-->263 <!--·start·footer·part·-->
264 <hr·class="footer"/><address·class="footer"><small>264 <hr·class="footer"/><address·class="footer"><small>
265 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4265 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d4/daf/a03819.html">List·of·all·members</a>··</div>70 <a·href="../../d4/daf/a03819.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::ComposedEnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d74/a02137.html">Energy·evaluation·(non-MM)</a>·&raquo;·<a·class="el"·href="../../d0/d13/a02139.html">Miscellaneous</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::ComposedEnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d74/a02137.html">Energy·evaluation·(non-MM)</a>·&raquo;·<a·class="el"·href="../../d0/d13/a02139.html">Miscellaneous</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d7/d76/a00992_source.html">BALL/ENERGY/composedEnergyProcessor.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/ENERGY/composedEnergyProcessor.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::ComposedEnergyProcessor:</div>76 Inheritance·diagram·for·BALL::ComposedEnergyProcessor:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d0/db2/a03822.png"·usemap="#BALL::ComposedEnergyProcessor_map"·alt=""/>79 ··<img·src="../../d0/db2/a03822.png"·usemap="#BALL::ComposedEnergyProcessor_map"·alt=""/>
80 ··<map·id="BALL::ComposedEnergyProcessor_map"·name="BALL::ComposedEnergyProcessor_map">80 ··<map·id="BALL::ComposedEnergyProcessor_map"·name="BALL::ComposedEnergyProcessor_map">
81 <area·href="../../de/db6/a03826.html"·alt="BALL::EnergyProcessor"·shape="rect"·coords="0,112,341,136"/>81 <area·href="../../de/db6/a03826.html"·alt="BALL::EnergyProcessor"·shape="rect"·coords="0,112,341,136"/>
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166 <tr·class="separator:a423fd75c0b0943e2244fe3de3cfc8ebc·inherit·pro_attribs_a03826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>166 <tr·class="separator:a423fd75c0b0943e2244fe3de3cfc8ebc·inherit·pro_attribs_a03826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
167 <tr·class="memitem:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db6/a03826.html#a3ea3669e5486c28c28cc24716f7b058b">valid_</a></td></tr>167 <tr·class="memitem:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db6/a03826.html#a3ea3669e5486c28c28cc24716f7b058b">valid_</a></td></tr>
168 <tr·class="separator:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>168 <tr·class="separator:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
169 </table>169 </table>
170 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>170 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
171 <div·class="textblock"><p·>A·class·for·composed·energy·calculations.·Most·energies·are·compositions·of·several·energy·contributions.·To·model·this·in·a·convenient·way·this·class·is·intended·to·calculate·and·sum·a·given·list·of·energy·contributions.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../de/db6/a03826.html">EnergyProcessor</a>·</dd></dl>171 <div·class="textblock"><p·>A·class·for·composed·energy·calculations.·Most·energies·are·compositions·of·several·energy·contributions.·To·model·this·in·a·convenient·way·this·class·is·intended·to·calculate·and·sum·a·given·list·of·energy·contributions.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../de/db6/a03826.html">EnergyProcessor</a>·</dd></dl>
  
172 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d76/a00992_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d7/d76/a00992_source.html">composedEnergyProcessor.h</a>.</p>172 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d99/a01901_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d5/d99/a01901_source.html">composedEnergyProcessor.h</a>.</p>
173 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>173 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
174 <a·id="a7ab411c6a6720595fd396d50f9efe271"·name="a7ab411c6a6720595fd396d50f9efe271"></a>174 <a·id="a7ab411c6a6720595fd396d50f9efe271"·name="a7ab411c6a6720595fd396d50f9efe271"></a>
175 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ab411c6a6720595fd396d50f9efe271">&#9670;&nbsp;</a></span>ComposedEnergyProcessor()·<span·class="overload">[1/3]</span></h2>175 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ab411c6a6720595fd396d50f9efe271">&#9670;&nbsp;</a></span>ComposedEnergyProcessor()·<span·class="overload">[1/3]</span></h2>
  
176 <div·class="memitem">176 <div·class="memitem">
177 <div·class="memproto">177 <div·class="memproto">
178 ······<table·class="memname">178 ······<table·class="memname">
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422 ··</td>422 ··</td>
423 ··<td·class="mlabels-right">423 ··<td·class="mlabels-right">
424 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>424 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
425 ··</tr>425 ··</tr>
426 </table>426 </table>
427 </div><div·class="memdoc">427 </div><div·class="memdoc">
  
428 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d76/a00992_source.html#l00116">116</a>·of·file·<a·class="el"·href="../../d7/d76/a00992_source.html">composedEnergyProcessor.h</a>.</p>428 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d99/a01901_source.html#l00116">116</a>·of·file·<a·class="el"·href="../../d5/d99/a01901_source.html">composedEnergyProcessor.h</a>.</p>
  
429 </div>429 </div>
430 </div>430 </div>
431 </div><!--·contents·-->431 </div><!--·contents·-->
432 <!--·start·footer·part·-->432 <!--·start·footer·part·-->
433 <hr·class="footer"/><address·class="footer"><small>433 <hr·class="footer"/><address·class="footer"><small>
434 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4434 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d8/dd8/a07591.html">List·of·all·members</a>··</div>71 <a·href="../../d8/dd8/a07591.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::EditSettings·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::EditSettings·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../da/d79/a01310_source.html">BALL/VIEW/DIALOGS/editSettings.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/d19/a01217_source.html">BALL/VIEW/DIALOGS/editSettings.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::EditSettings:</div>77 Inheritance·diagram·for·BALL::VIEW::EditSettings:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d0/db4/a07594.png"·usemap="#BALL::VIEW::EditSettings_map"·alt=""/>80 ··<img·src="../../d0/db4/a07594.png"·usemap="#BALL::VIEW::EditSettings_map"·alt=""/>
81 ··<map·id="BALL::VIEW::EditSettings_map"·name="BALL::VIEW::EditSettings_map">81 ··<map·id="BALL::VIEW::EditSettings_map"·name="BALL::VIEW::EditSettings_map">
82 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,186,24"/>82 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,186,24"/>
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181 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>181 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
182 <div·class="textblock"><p·><a·class="el"·href="../../d0/db4/a07594.html">EditSettings</a>·is·a·widget·that·will·be·inserted·into·the·tab·dialog·<a·class="el"·href="../../dc/da1/a07694.html">Preferences</a>.·It·contains·the·following·settings:</p><ul>182 <div·class="textblock"><p·><a·class="el"·href="../../d0/db4/a07594.html">EditSettings</a>·is·a·widget·that·will·be·inserted·into·the·tab·dialog·<a·class="el"·href="../../dc/da1/a07694.html">Preferences</a>.·It·contains·the·following·settings:</p><ul>
183 <li>maximum·distance·for·an·atom·to·be·picked</li>183 <li>maximum·distance·for·an·atom·to·be·picked</li>
184 <li>maximum·distance·for·an·bond·to·be·picked</li>184 <li>maximum·distance·for·an·bond·to·be·picked</li>
185 <li>only·atom·in·highlighted·container·to·be·picked?·</li>185 <li>only·atom·in·highlighted·container·to·be·picked?·</li>
186 </ul>186 </ul>
  
187 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d79/a01310_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../da/d79/a01310_source.html">editSettings.h</a>.</p>187 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d19/a01217_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../da/d19/a01217_source.html">editSettings.h</a>.</p>
188 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>188 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
189 <a·id="afddc03e6112629554de4bbba6012a72c"·name="afddc03e6112629554de4bbba6012a72c"></a>189 <a·id="afddc03e6112629554de4bbba6012a72c"·name="afddc03e6112629554de4bbba6012a72c"></a>
190 <h2·class="memtitle"><span·class="permalink"><a·href="#afddc03e6112629554de4bbba6012a72c">&#9670;&nbsp;</a></span>EditSettings()</h2>190 <h2·class="memtitle"><span·class="permalink"><a·href="#afddc03e6112629554de4bbba6012a72c">&#9670;&nbsp;</a></span>EditSettings()</h2>
  
191 <div·class="memitem">191 <div·class="memitem">
192 <div·class="memproto">192 <div·class="memproto">
193 ······<table·class="memname">193 ······<table·class="memname">
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d6/d63/a05559.html">List·of·all·members</a>··</div>70 <a·href="../../d6/d63/a05559.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::PyCompositeList·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d5/d63/a02123.html">Python</a>·&raquo;·<a·class="el"·href="../../d5/ddd/a02184.html">Python·extensions</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::PyCompositeList·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d5/d63/a02123.html">Python</a>·&raquo;·<a·class="el"·href="../../d5/ddd/a02184.html">Python·extensions</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d9/db6/a00146_source.html">BALL/PYTHON/EXTENSIONS/pyCompositeList.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d1/d5d/a00311_source.html">BALL/PYTHON/EXTENSIONS/pyCompositeList.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::PyCompositeList:</div>76 Inheritance·diagram·for·BALL::PyCompositeList:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d0/db7/a05562.png"·alt=""/>79 ··<img·src="../../d0/db7/a05562.png"·alt=""/>
80 ·</div></div>80 ·</div></div>
81 <table·class="memberdecls">81 <table·class="memberdecls">
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118 <tr·class="memitem:a477d4fc1a5cd2f7f61ae94473c6b1024"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/db7/a05562.html#a477d4fc1a5cd2f7f61ae94473c6b1024">~PyCompositeList</a>·()··throw·()</td></tr>118 <tr·class="memitem:a477d4fc1a5cd2f7f61ae94473c6b1024"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/db7/a05562.html#a477d4fc1a5cd2f7f61ae94473c6b1024">~PyCompositeList</a>·()··throw·()</td></tr>
119 <tr·class="memdesc:a477d4fc1a5cd2f7f61ae94473c6b1024"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Destructor.··<a·href="../../d0/db7/a05562.html#a477d4fc1a5cd2f7f61ae94473c6b1024">More...</a><br·/></td></tr>119 <tr·class="memdesc:a477d4fc1a5cd2f7f61ae94473c6b1024"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Destructor.··<a·href="../../d0/db7/a05562.html#a477d4fc1a5cd2f7f61ae94473c6b1024">More...</a><br·/></td></tr>
120 <tr·class="separator:a477d4fc1a5cd2f7f61ae94473c6b1024"><td·class="memSeparator"·colspan="2">&#160;</td></tr>120 <tr·class="separator:a477d4fc1a5cd2f7f61ae94473c6b1024"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
121 </table>121 </table>
122 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>122 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
123 <div·class="textblock"><p·>Equivalent·for·a·STL::List·of·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·Pointers·in·Python·</p>123 <div·class="textblock"><p·>Equivalent·for·a·STL::List·of·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·Pointers·in·Python·</p>
  
124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/db6/a00146_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d9/db6/a00146_source.html">pyCompositeList.h</a>.</p>124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d5d/a00311_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d1/d5d/a00311_source.html">pyCompositeList.h</a>.</p>
125 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>125 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
126 <a·id="a0df146ea8f23189639ce4c9a438bd38d"·name="a0df146ea8f23189639ce4c9a438bd38d"></a>126 <a·id="a0df146ea8f23189639ce4c9a438bd38d"·name="a0df146ea8f23189639ce4c9a438bd38d"></a>
127 <h2·class="memtitle"><span·class="permalink"><a·href="#a0df146ea8f23189639ce4c9a438bd38d">&#9670;&nbsp;</a></span>ConstIterator</h2>127 <h2·class="memtitle"><span·class="permalink"><a·href="#a0df146ea8f23189639ce4c9a438bd38d">&#9670;&nbsp;</a></span>ConstIterator</h2>
  
128 <div·class="memitem">128 <div·class="memitem">
129 <div·class="memproto">129 <div·class="memproto">
130 ······<table·class="memname">130 ······<table·class="memname">
131 ········<tr>131 ········<tr>
132 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>*&gt;::const_iterator·<a·class="el"·href="../../d0/db7/a05562.html#a0df146ea8f23189639ce4c9a438bd38d">BALL::PyCompositeList::ConstIterator</a></td>132 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>*&gt;::const_iterator·<a·class="el"·href="../../d0/db7/a05562.html#a0df146ea8f23189639ce4c9a438bd38d">BALL::PyCompositeList::ConstIterator</a></td>
133 ········</tr>133 ········</tr>
134 ······</table>134 ······</table>
135 </div><div·class="memdoc">135 </div><div·class="memdoc">
136 <p·><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·iterator·type.·</p>136 <p·><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·iterator·type.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/db6/a00146_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d9/db6/a00146_source.html">pyCompositeList.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d5d/a00311_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d1/d5d/a00311_source.html">pyCompositeList.h</a>.</p>
  
138 </div>138 </div>
139 </div>139 </div>
140 <a·id="adf89aa487cf7cf89a8f789d3b55b9b04"·name="adf89aa487cf7cf89a8f789d3b55b9b04"></a>140 <a·id="adf89aa487cf7cf89a8f789d3b55b9b04"·name="adf89aa487cf7cf89a8f789d3b55b9b04"></a>
141 <h2·class="memtitle"><span·class="permalink"><a·href="#adf89aa487cf7cf89a8f789d3b55b9b04">&#9670;&nbsp;</a></span>Iterator</h2>141 <h2·class="memtitle"><span·class="permalink"><a·href="#adf89aa487cf7cf89a8f789d3b55b9b04">&#9670;&nbsp;</a></span>Iterator</h2>
  
142 <div·class="memitem">142 <div·class="memitem">
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151 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>*&gt;::iterator·<a·class="el"·href="../../d0/db7/a05562.html#adf89aa487cf7cf89a8f789d3b55b9b04">BALL::PyCompositeList::Iterator</a></td>151 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>*&gt;::iterator·<a·class="el"·href="../../d0/db7/a05562.html#adf89aa487cf7cf89a8f789d3b55b9b04">BALL::PyCompositeList::Iterator</a></td>
152 ········</tr>152 ········</tr>
153 ······</table>153 ······</table>
154 </div><div·class="memdoc">154 </div><div·class="memdoc">
155 <p·>Iterator·type.·</p>155 <p·>Iterator·type.·</p>
  
156 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/db6/a00146_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d9/db6/a00146_source.html">pyCompositeList.h</a>.</p>156 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d5d/a00311_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d1/d5d/a00311_source.html">pyCompositeList.h</a>.</p>
  
157 </div>157 </div>
158 </div>158 </div>
159 <a·id="a1ab67d793951746402f1829aed171726"·name="a1ab67d793951746402f1829aed171726"></a>159 <a·id="a1ab67d793951746402f1829aed171726"·name="a1ab67d793951746402f1829aed171726"></a>
160 <h2·class="memtitle"><span·class="permalink"><a·href="#a1ab67d793951746402f1829aed171726">&#9670;&nbsp;</a></span>PointerType</h2>160 <h2·class="memtitle"><span·class="permalink"><a·href="#a1ab67d793951746402f1829aed171726">&#9670;&nbsp;</a></span>PointerType</h2>
  
161 <div·class="memitem">161 <div·class="memitem">
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168 ··········<td·class="memname">typedef·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>**·<a·class="el"·href="../../d0/db7/a05562.html#a1ab67d793951746402f1829aed171726">BALL::PyCompositeList::PointerType</a></td>168 ··········<td·class="memname">typedef·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>**·<a·class="el"·href="../../d0/db7/a05562.html#a1ab67d793951746402f1829aed171726">BALL::PyCompositeList::PointerType</a></td>
169 ········</tr>169 ········</tr>
170 ······</table>170 ······</table>
171 </div><div·class="memdoc">171 </div><div·class="memdoc">
172 <p·>Pointer·type·</p>172 <p·>Pointer·type·</p>
  
173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/db6/a00146_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d9/db6/a00146_source.html">pyCompositeList.h</a>.</p>173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d5d/a00311_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d1/d5d/a00311_source.html">pyCompositeList.h</a>.</p>
  
174 </div>174 </div>
175 </div>175 </div>
176 <a·id="af0223328c965438bfe010bee2097c750"·name="af0223328c965438bfe010bee2097c750"></a>176 <a·id="af0223328c965438bfe010bee2097c750"·name="af0223328c965438bfe010bee2097c750"></a>
177 <h2·class="memtitle"><span·class="permalink"><a·href="#af0223328c965438bfe010bee2097c750">&#9670;&nbsp;</a></span>ValueType</h2>177 <h2·class="memtitle"><span·class="permalink"><a·href="#af0223328c965438bfe010bee2097c750">&#9670;&nbsp;</a></span>ValueType</h2>
  
178 <div·class="memitem">178 <div·class="memitem">
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184 ········<tr>184 ········<tr>
185 ··········<td·class="memname">typedef·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>*·<a·class="el"·href="../../d0/db7/a05562.html#af0223328c965438bfe010bee2097c750">BALL::PyCompositeList::ValueType</a></td>185 ··········<td·class="memname">typedef·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>*·<a·class="el"·href="../../d0/db7/a05562.html#af0223328c965438bfe010bee2097c750">BALL::PyCompositeList::ValueType</a></td>
186 ········</tr>186 ········</tr>
187 ······</table>187 ······</table>
188 </div><div·class="memdoc">188 </div><div·class="memdoc">
189 <p·>Composite*·type·</p>189 <p·>Composite*·type·</p>
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/db6/a00146_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d9/db6/a00146_source.html">pyCompositeList.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d5d/a00311_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d1/d5d/a00311_source.html">pyCompositeList.h</a>.</p>
  
191 </div>191 </div>
192 </div>192 </div>
193 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>193 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
194 <a·id="aebced633f70c8b2f9c40045ad274b951"·name="aebced633f70c8b2f9c40045ad274b951"></a>194 <a·id="aebced633f70c8b2f9c40045ad274b951"·name="aebced633f70c8b2f9c40045ad274b951"></a>
195 <h2·class="memtitle"><span·class="permalink"><a·href="#aebced633f70c8b2f9c40045ad274b951">&#9670;&nbsp;</a></span>PyCompositeList()·<span·class="overload">[1/6]</span></h2>195 <h2·class="memtitle"><span·class="permalink"><a·href="#aebced633f70c8b2f9c40045ad274b951">&#9670;&nbsp;</a></span>PyCompositeList()·<span·class="overload">[1/6]</span></h2>
  
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d2/dbb/a07863.html">List·of·all·members</a>··</div>71 <a·href="../../d2/dbb/a07863.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DeselectControlsMessage·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DeselectControlsMessage·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d39/a01112_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::DeselectControlsMessage:</div>77 Inheritance·diagram·for·BALL::VIEW::DeselectControlsMessage:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d0/db7/a07866.png"·usemap="#BALL::VIEW::DeselectControlsMessage_map"·alt=""/>80 ··<img·src="../../d0/db7/a07866.png"·usemap="#BALL::VIEW::DeselectControlsMessage_map"·alt=""/>
81 ··<map·id="BALL::VIEW::DeselectControlsMessage_map"·name="BALL::VIEW::DeselectControlsMessage_map">81 ··<map·id="BALL::VIEW::DeselectControlsMessage_map"·name="BALL::VIEW::DeselectControlsMessage_map">
82 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,233,24"/>82 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,233,24"/>
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105 <tr·class="separator:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>105 <tr·class="separator:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
106 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>106 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>
107 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>107 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
108 </table>108 </table>
109 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>109 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
110 <div·class="textblock"><p·><a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·send·by·one·<a·class="el"·href="../../db/dff/a08390.html">GenericControl</a>·to·notify·all·other·<a·class="el"·href="../../db/dff/a08390.html">GenericControl</a>·instances·to·deselect·their·QListView.·</p>110 <div·class="textblock"><p·><a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·send·by·one·<a·class="el"·href="../../db/dff/a08390.html">GenericControl</a>·to·notify·all·other·<a·class="el"·href="../../db/dff/a08390.html">GenericControl</a>·instances·to·deselect·their·QListView.·</p>
  
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00724">724</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00724">724</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
113 <a·id="ab9710da066657a3456d11ecd7b84c15e"·name="ab9710da066657a3456d11ecd7b84c15e"></a>113 <a·id="ab9710da066657a3456d11ecd7b84c15e"·name="ab9710da066657a3456d11ecd7b84c15e"></a>
114 <h2·class="memtitle"><span·class="permalink"><a·href="#ab9710da066657a3456d11ecd7b84c15e">&#9670;&nbsp;</a></span>DeselectControlsMessage()</h2>114 <h2·class="memtitle"><span·class="permalink"><a·href="#ab9710da066657a3456d11ecd7b84c15e">&#9670;&nbsp;</a></span>DeselectControlsMessage()</h2>
  
115 <div·class="memitem">115 <div·class="memitem">
116 <div·class="memproto">116 <div·class="memproto">
117 <table·class="mlabels">117 <table·class="mlabels">
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130 ··</td>130 ··</td>
131 ··<td·class="mlabels-right">131 ··<td·class="mlabels-right">
132 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>132 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
133 ··</tr>133 ··</tr>
134 </table>134 </table>
135 </div><div·class="memdoc">135 </div><div·class="memdoc">
  
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00728">728</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00728">728</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
137 </div>137 </div>
138 </div>138 </div>
139 </div><!--·contents·-->139 </div><!--·contents·-->
140 <!--·start·footer·part·-->140 <!--·start·footer·part·-->
141 <hr·class="footer"/><address·class="footer"><small>141 <hr·class="footer"/><address·class="footer"><small>
142 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4142 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../de/d30/a07987.html">List·of·all·members</a>··</div>72 <a·href="../../de/d30/a07987.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GenerateCrystalThread·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GenerateCrystalThread·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../dd/d09/a01118_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::GenerateCrystalThread:</div>78 Inheritance·diagram·for·BALL::VIEW::GenerateCrystalThread:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d0/db8/a07990.png"·usemap="#BALL::VIEW::GenerateCrystalThread_map"·alt=""/>81 ··<img·src="../../d0/db8/a07990.png"·usemap="#BALL::VIEW::GenerateCrystalThread_map"·alt=""/>
82 ··<map·id="BALL::VIEW::GenerateCrystalThread_map"·name="BALL::VIEW::GenerateCrystalThread_map">82 ··<map·id="BALL::VIEW::GenerateCrystalThread_map"·name="BALL::VIEW::GenerateCrystalThread_map">
83 <area·href="../../dc/da9/a07982.html"·alt="BALL::VIEW::BALLThread"·shape="rect"·coords="0,56,218,80"/>83 <area·href="../../dc/da9/a07982.html"·alt="BALL::VIEW::BALLThread"·shape="rect"·coords="0,56,218,80"/>
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127 <tr·class="memdesc:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Sends·the·string·as·outout·to·Log.info.··<a·href="../../dc/da9/a07982.html#a86f8e5eb10fe0cc8fdcf07a1f4bb43f2">More...</a><br·/></td></tr>127 <tr·class="memdesc:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Sends·the·string·as·outout·to·Log.info.··<a·href="../../dc/da9/a07982.html#a86f8e5eb10fe0cc8fdcf07a1f4bb43f2">More...</a><br·/></td></tr>
128 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>129 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>
130 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>130 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
131 </table>131 </table>
132 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>132 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
133 <div·class="textblock">133 <div·class="textblock">
134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00140">140</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00140">140</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
135 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>135 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
136 <a·id="a641b1cf11d704846a192700f94cf1591"·name="a641b1cf11d704846a192700f94cf1591"></a>136 <a·id="a641b1cf11d704846a192700f94cf1591"·name="a641b1cf11d704846a192700f94cf1591"></a>
137 <h2·class="memtitle"><span·class="permalink"><a·href="#a641b1cf11d704846a192700f94cf1591">&#9670;&nbsp;</a></span>GenerateCrystalThread()</h2>137 <h2·class="memtitle"><span·class="permalink"><a·href="#a641b1cf11d704846a192700f94cf1591">&#9670;&nbsp;</a></span>GenerateCrystalThread()</h2>
  
138 <div·class="memitem">138 <div·class="memitem">
139 <div·class="memproto">139 <div·class="memproto">
140 ······<table·class="memname">140 ······<table·class="memname">
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199 ··</td>199 ··</td>
200 ··<td·class="mlabels-right">200 ··<td·class="mlabels-right">
201 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>201 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
202 ··</tr>202 ··</tr>
203 </table>203 </table>
204 </div><div·class="memdoc">204 </div><div·class="memdoc">
  
205 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>205 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
206 </div>206 </div>
207 </div>207 </div>
208 <h2·class="groupheader">Member·Data·Documentation</h2>208 <h2·class="groupheader">Member·Data·Documentation</h2>
209 <a·id="aaeae0bd31fc27d8d48c628600612adf5"·name="aaeae0bd31fc27d8d48c628600612adf5"></a>209 <a·id="aaeae0bd31fc27d8d48c628600612adf5"·name="aaeae0bd31fc27d8d48c628600612adf5"></a>
210 <h2·class="memtitle"><span·class="permalink"><a·href="#aaeae0bd31fc27d8d48c628600612adf5">&#9670;&nbsp;</a></span>dialog_</h2>210 <h2·class="memtitle"><span·class="permalink"><a·href="#aaeae0bd31fc27d8d48c628600612adf5">&#9670;&nbsp;</a></span>dialog_</h2>
  
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224 ··</td>224 ··</td>
225 ··<td·class="mlabels-right">225 ··<td·class="mlabels-right">
226 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>226 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
227 ··</tr>227 ··</tr>
228 </table>228 </table>
229 </div><div·class="memdoc">229 </div><div·class="memdoc">
  
230 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00155">155</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>230 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00155">155</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
231 </div>231 </div>
232 </div>232 </div>
233 </div><!--·contents·-->233 </div><!--·contents·-->
234 <!--·start·footer·part·-->234 <!--·start·footer·part·-->
235 <hr·class="footer"/><address·class="footer"><small>235 <hr·class="footer"/><address·class="footer"><small>
236 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4236 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../de/d65/a04631.html">List·of·all·members</a>··</div>71 <a·href="../../de/d65/a04631.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::SecondaryStructureIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SecondaryStructureIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d6/de1/a00356_source.html">BALL/KERNEL/secondaryStructureIterator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/dfb/a00512_source.html">BALL/KERNEL/secondaryStructureIterator.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::SecondaryStructureIteratorTraits:</div>77 Inheritance·diagram·for·BALL::SecondaryStructureIteratorTraits:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d0/dbd/a04634.png"·usemap="#BALL::SecondaryStructureIteratorTraits_map"·alt=""/>80 ··<img·src="../../d0/dbd/a04634.png"·usemap="#BALL::SecondaryStructureIteratorTraits_map"·alt=""/>
81 ··<map·id="BALL::SecondaryStructureIteratorTraits_map"·name="BALL::SecondaryStructureIteratorTraits_map">81 ··<map·id="BALL::SecondaryStructureIteratorTraits_map"·name="BALL::SecondaryStructureIteratorTraits_map">
82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,234,24"/>82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,234,24"/>
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184 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>184 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>
185 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<a·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">More...</a><br·/></td></tr>185 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<a·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">More...</a><br·/></td></tr>
186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
187 </table>187 </table>
188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
189 <div·class="textblock"><p·><a·class="el"·href="../../d0/dbd/a04634.html">SecondaryStructureIteratorTraits</a>·</p>189 <div·class="textblock"><p·><a·class="el"·href="../../d0/dbd/a04634.html">SecondaryStructureIteratorTraits</a>·</p>
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/de1/a00356_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d6/de1/a00356_source.html">secondaryStructureIterator.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dfb/a00512_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d4/dfb/a00512_source.html">secondaryStructureIterator.h</a>.</p>
191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
192 <a·id="ada219abb88163d3e5a0768919cdbe26f"·name="ada219abb88163d3e5a0768919cdbe26f"></a>192 <a·id="ada219abb88163d3e5a0768919cdbe26f"·name="ada219abb88163d3e5a0768919cdbe26f"></a>
193 <h2·class="memtitle"><span·class="permalink"><a·href="#ada219abb88163d3e5a0768919cdbe26f">&#9670;&nbsp;</a></span>SecondaryStructureIteratorTraits()·<span·class="overload">[1/3]</span></h2>193 <h2·class="memtitle"><span·class="permalink"><a·href="#ada219abb88163d3e5a0768919cdbe26f">&#9670;&nbsp;</a></span>SecondaryStructureIteratorTraits()·<span·class="overload">[1/3]</span></h2>
  
194 <div·class="memitem">194 <div·class="memitem">
195 <div·class="memproto">195 <div·class="memproto">
196 <table·class="mlabels">196 <table·class="mlabels">
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209 ··</td>209 ··</td>
210 ··<td·class="mlabels-right">210 ··<td·class="mlabels-right">
211 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>211 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
212 ··</tr>212 ··</tr>
213 </table>213 </table>
214 </div><div·class="memdoc">214 </div><div·class="memdoc">
  
215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/de1/a00356_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d6/de1/a00356_source.html">secondaryStructureIterator.h</a>.</p>215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dfb/a00512_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d4/dfb/a00512_source.html">secondaryStructureIterator.h</a>.</p>
  
216 </div>216 </div>
217 </div>217 </div>
218 <a·id="a0f63b4fd68a93b50acdd44273604efdf"·name="a0f63b4fd68a93b50acdd44273604efdf"></a>218 <a·id="a0f63b4fd68a93b50acdd44273604efdf"·name="a0f63b4fd68a93b50acdd44273604efdf"></a>
219 <h2·class="memtitle"><span·class="permalink"><a·href="#a0f63b4fd68a93b50acdd44273604efdf">&#9670;&nbsp;</a></span>SecondaryStructureIteratorTraits()·<span·class="overload">[2/3]</span></h2>219 <h2·class="memtitle"><span·class="permalink"><a·href="#a0f63b4fd68a93b50acdd44273604efdf">&#9670;&nbsp;</a></span>SecondaryStructureIteratorTraits()·<span·class="overload">[2/3]</span></h2>
  
220 <div·class="memitem">220 <div·class="memitem">
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237 ··</td>237 ··</td>
238 ··<td·class="mlabels-right">238 ··<td·class="mlabels-right">
239 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>239 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
240 ··</tr>240 ··</tr>
241 </table>241 </table>
242 </div><div·class="memdoc">242 </div><div·class="memdoc">
  
243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/de1/a00356_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d6/de1/a00356_source.html">secondaryStructureIterator.h</a>.</p>243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dfb/a00512_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d4/dfb/a00512_source.html">secondaryStructureIterator.h</a>.</p>
  
244 </div>244 </div>
245 </div>245 </div>
246 <a·id="afb4aa54a36d522b11b76dc15d805fc07"·name="afb4aa54a36d522b11b76dc15d805fc07"></a>246 <a·id="afb4aa54a36d522b11b76dc15d805fc07"·name="afb4aa54a36d522b11b76dc15d805fc07"></a>
247 <h2·class="memtitle"><span·class="permalink"><a·href="#afb4aa54a36d522b11b76dc15d805fc07">&#9670;&nbsp;</a></span>SecondaryStructureIteratorTraits()·<span·class="overload">[3/3]</span></h2>247 <h2·class="memtitle"><span·class="permalink"><a·href="#afb4aa54a36d522b11b76dc15d805fc07">&#9670;&nbsp;</a></span>SecondaryStructureIteratorTraits()·<span·class="overload">[3/3]</span></h2>
  
248 <div·class="memitem">248 <div·class="memitem">
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275 ··</td>275 ··</td>
276 ··<td·class="mlabels-right">276 ··<td·class="mlabels-right">
277 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>277 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
278 ··</tr>278 ··</tr>
279 </table>279 </table>
280 </div><div·class="memdoc">280 </div><div·class="memdoc">
  
281 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/de1/a00356_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d6/de1/a00356_source.html">secondaryStructureIterator.h</a>.</p>281 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dfb/a00512_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d4/dfb/a00512_source.html">secondaryStructureIterator.h</a>.</p>
  
282 </div>282 </div>
283 </div>283 </div>
284 <h2·class="groupheader">Member·Function·Documentation</h2>284 <h2·class="groupheader">Member·Function·Documentation</h2>
285 <a·id="a38f52fe76c60c51c67a4fbe01dfe6846"·name="a38f52fe76c60c51c67a4fbe01dfe6846"></a>285 <a·id="a38f52fe76c60c51c67a4fbe01dfe6846"·name="a38f52fe76c60c51c67a4fbe01dfe6846"></a>
286 <h2·class="memtitle"><span·class="permalink"><a·href="#a38f52fe76c60c51c67a4fbe01dfe6846">&#9670;&nbsp;</a></span>operator=()</h2>286 <h2·class="memtitle"><span·class="permalink"><a·href="#a38f52fe76c60c51c67a4fbe01dfe6846">&#9670;&nbsp;</a></span>operator=()</h2>
  
Offset 304, 15 lines modifiedOffset 304, 15 lines modified
304 ··</td>304 ··</td>
305 ··<td·class="mlabels-right">305 ··<td·class="mlabels-right">
306 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>306 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
307 ··</tr>307 ··</tr>
308 </table>308 </table>
309 </div><div·class="memdoc">309 </div><div·class="memdoc">
  
310 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/de1/a00356_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d6/de1/a00356_source.html">secondaryStructureIterator.h</a>.</p>310 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dfb/a00512_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d4/dfb/a00512_source.html">secondaryStructureIterator.h</a>.</p>
  
311 </div>311 </div>
312 </div>312 </div>
313 <a·id="aafd54e9b34b29c7047a5f30357b73813"·name="aafd54e9b34b29c7047a5f30357b73813"></a>313 <a·id="aafd54e9b34b29c7047a5f30357b73813"·name="aafd54e9b34b29c7047a5f30357b73813"></a>
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77 <code>#include·&lt;list&gt;</code><br·/> 
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 87 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>
 88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>89 </table>
91 </div><!--·contents·-->90 </div><!--·contents·-->
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d2/dbd/a06775.html">List·of·all·members</a>··</div>71 <a·href="../../d2/dbd/a06775.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::DPJoinMapComparator_·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::DPJoinMapComparator_·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d2a/a00632_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8e/a01694_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:a39d143ae8b35d876bda50b9f78ee2b59"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dc4/a06778.html#a39d143ae8b35d876bda50b9f78ee2b59">operator()</a>·(<a·class="el"·href="../../d8/d89/a06754.html">DPConfig_</a>·const·*leftp,·<a·class="el"·href="../../d8/d89/a06754.html">DPConfig_</a>·const·*rightp)·const</td></tr>79 <tr·class="memitem:a39d143ae8b35d876bda50b9f78ee2b59"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dc4/a06778.html#a39d143ae8b35d876bda50b9f78ee2b59">operator()</a>·(<a·class="el"·href="../../d8/d89/a06754.html">DPConfig_</a>·const·*leftp,·<a·class="el"·href="../../d8/d89/a06754.html">DPConfig_</a>·const·*rightp)·const</td></tr>
80 <tr·class="separator:a39d143ae8b35d876bda50b9f78ee2b59"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a39d143ae8b35d876bda50b9f78ee2b59"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:ad420c9c0d16386025b2388e97bbcd51f"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dc4/a06778.html#ad420c9c0d16386025b2388e97bbcd51f">compare</a>·(<a·class="el"·href="../../d8/d89/a06754.html">DPConfig_</a>·const·*leftp,·<a·class="el"·href="../../d8/d89/a06754.html">DPConfig_</a>·const·*rightp)·const</td></tr>81 <tr·class="memitem:ad420c9c0d16386025b2388e97bbcd51f"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dc4/a06778.html#ad420c9c0d16386025b2388e97bbcd51f">compare</a>·(<a·class="el"·href="../../d8/d89/a06754.html">DPConfig_</a>·const·*leftp,·<a·class="el"·href="../../d8/d89/a06754.html">DPConfig_</a>·const·*rightp)·const</td></tr>
82 <tr·class="separator:ad420c9c0d16386025b2388e97bbcd51f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:ad420c9c0d16386025b2388e97bbcd51f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock"><p·>A·comparator,·which·searches·DPConfigs·in·a·DPJoinMap.·Two·DPConfigs·are·equal,·if·they·have·the·same·bond·values,·even·if·they·have·different·consumed·valences.·</p>85 <div·class="textblock"><p·>A·comparator,·which·searches·DPConfigs·in·a·DPJoinMap.·Two·DPConfigs·are·equal,·if·they·have·the·same·bond·values,·even·if·they·have·different·consumed·valences.·</p>
  
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00817">817</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00817">817</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
87 </div><h2·class="groupheader">Member·Function·Documentation</h2>87 </div><h2·class="groupheader">Member·Function·Documentation</h2>
88 <a·id="ad420c9c0d16386025b2388e97bbcd51f"·name="ad420c9c0d16386025b2388e97bbcd51f"></a>88 <a·id="ad420c9c0d16386025b2388e97bbcd51f"·name="ad420c9c0d16386025b2388e97bbcd51f"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#ad420c9c0d16386025b2388e97bbcd51f">&#9670;&nbsp;</a></span>compare()</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#ad420c9c0d16386025b2388e97bbcd51f">&#9670;&nbsp;</a></span>compare()</h2>
  
90 <div·class="memitem">90 <div·class="memitem">
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92 ······<table·class="memname">92 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d0/dfa/a08383.html">List·of·all·members</a>··</div>71 <a·href="../../d0/dfa/a08383.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TreeWidget·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/deb/a02214.html">Modular·Widgets</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TreeWidget·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/deb/a02214.html">Modular·Widgets</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/d1b/a01583_source.html">BALL/VIEW/WIDGETS/genericControl.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d3e/a01139_source.html">BALL/VIEW/WIDGETS/genericControl.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::TreeWidget:</div>77 Inheritance·diagram·for·BALL::VIEW::TreeWidget:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d0/dc6/a08386.png"·usemap="#BALL::VIEW::TreeWidget_map"·alt=""/>80 ··<img·src="../../d0/dc6/a08386.png"·usemap="#BALL::VIEW::TreeWidget_map"·alt=""/>
81 ··<map·id="BALL::VIEW::TreeWidget_map"·name="BALL::VIEW::TreeWidget_map">81 ··<map·id="BALL::VIEW::TreeWidget_map"·name="BALL::VIEW::TreeWidget_map">
82 <area·href="../../d9/d44/a20326.html"·alt="QTreeWidget"·shape="rect"·coords="0,0,150,24"/>82 <area·href="../../d9/d44/a20326.html"·alt="QTreeWidget"·shape="rect"·coords="0,0,150,24"/>
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90 <tr·class="separator:a60378294c70a35ccae2743b59f6ab367"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a60378294c70a35ccae2743b59f6ab367"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 <tr·class="memitem:a60aa97d36a4787ea59336016ac88e4c8"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dc6/a08386.html#a60aa97d36a4787ea59336016ac88e4c8">selectItems</a>·(const·list&lt;·<a·class="el"·href="../../d4/d80/a20226.html">QTreeWidgetItem</a>·*·&gt;·&amp;items)</td></tr>91 <tr·class="memitem:a60aa97d36a4787ea59336016ac88e4c8"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dc6/a08386.html#a60aa97d36a4787ea59336016ac88e4c8">selectItems</a>·(const·list&lt;·<a·class="el"·href="../../d4/d80/a20226.html">QTreeWidgetItem</a>·*·&gt;·&amp;items)</td></tr>
92 <tr·class="separator:a60aa97d36a4787ea59336016ac88e4c8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:a60aa97d36a4787ea59336016ac88e4c8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table>93 </table>
94 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>94 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
95 <div·class="textblock"><p·>Base·class·for·all·control·widgets.·</p>95 <div·class="textblock"><p·>Base·class·for·all·control·widgets.·</p>
  
96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d1b/a01583_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d9/d1b/a01583_source.html">genericControl.h</a>.</p>96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d3e/a01139_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d5/d3e/a01139_source.html">genericControl.h</a>.</p>
97 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>97 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
98 <a·id="a60378294c70a35ccae2743b59f6ab367"·name="a60378294c70a35ccae2743b59f6ab367"></a>98 <a·id="a60378294c70a35ccae2743b59f6ab367"·name="a60378294c70a35ccae2743b59f6ab367"></a>
99 <h2·class="memtitle"><span·class="permalink"><a·href="#a60378294c70a35ccae2743b59f6ab367">&#9670;&nbsp;</a></span>TreeWidget()</h2>99 <h2·class="memtitle"><span·class="permalink"><a·href="#a60378294c70a35ccae2743b59f6ab367">&#9670;&nbsp;</a></span>TreeWidget()</h2>
  
100 <div·class="memitem">100 <div·class="memitem">
101 <div·class="memproto">101 <div·class="memproto">
102 ······<table·class="memname">102 ······<table·class="memname">
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2 <html·xmlns="http://www.w3.org/1999/xhtml">2 <html·xmlns="http://www.w3.org/1999/xhtml">
3 <head>3 <head>
4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>
5 <meta·http-equiv="X-UA-Compatible"·content="IE=11"/>5 <meta·http-equiv="X-UA-Compatible"·content="IE=11"/>
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7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·glRenderWindow.h·File·Reference</title>8 <title>BALL:·colorTable.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">glRenderWindow.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">colorTable.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;QtWidgets/QTableWidget&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../db/d28/a01133_source.html">BALL/VIEW/RENDERING/renderWindow.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d2/d21/a01484_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>
78 <code>#include·&lt;<a·class="el"·href="../../de/db5/a01730_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;QtOpenGL/qgl.h&gt;</code><br·/> 
80 </div>78 </div>
81 <p><a·href="../../d0/dc8/a01124_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d0/dc8/a01124_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls">80 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
84 Classes</h2></td></tr>82 Classes</h2></td></tr>
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dfb/a08242.html">BALL::VIEW::GLRenderWindow</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/de7/a08366.html">BALL::VIEW::ColorTable</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table><table·class="memberdecls">85 </table><table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
89 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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68 ··<div·class="headertitle"><div·class="title">concept.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">poissonBoltzmann.h·File·Reference</div></div>
69 </div><!--header-->72 </div><!--header-->
70 <div·class="contents">73 <div·class="contents">
71 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/dee/a01646_source.html">BALL/CONCEPT/XDRPersistenceManager.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
72 <code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/CONCEPT/autoDeletable.h</a>&gt;</code><br·/> 
73 <code>#include·&lt;<a·class="el"·href="../../d3/deb/a01619_source.html">BALL/CONCEPT/bidirectionalIterator.h</a>&gt;</code><br·/> 
74 <code>#include·&lt;BALL/CONCEPT/callback.h&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../de/df6/a01670_source.html">BALL/CONCEPT/comparator.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d7/d82/a01601_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../dc/d71/a01664_source.html">BALL/CONCEPT/forwardIterator.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
78 <code>#include·&lt;<a·class="el"·href="../../d4/d49/a01643_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../d0/da4/a01631_source.html">BALL/CONCEPT/randomAccessIterator.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;BALL/CONCEPT/reverseRandomAccessIterator.h&gt;</code><br·/> 
81 <code>#include·&lt;BALL/CONCEPT/singleton.h&gt;</code><br·/>78 <code>#include·&lt;vector&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d4/d99/a01634_source.html">BALL/CONCEPT/textPersistenceManager.h</a>&gt;</code><br·/> 
83 </div>79 </div>
84 <p><a·href="../../d0/dce/a01946_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../d0/dce/a01946_source.html">Go·to·the·source·code·of·this·file.</a></p>
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72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordEXPDTA·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordEXPDTA·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
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89 <div·class="textblock">89 <div·class="textblock">
90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00634">634</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00634">634</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
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93 <h2·class="memtitle"><span·class="permalink"><a·href="#a6773e1285c06aac984daf973b96a8ad6">&#9670;&nbsp;</a></span>continuation</h2>93 <h2·class="memtitle"><span·class="permalink"><a·href="#a6773e1285c06aac984daf973b96a8ad6">&#9670;&nbsp;</a></span>continuation</h2>
  
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101 </div><div·class="memdoc">101 </div><div·class="memdoc">
  
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00638">638</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00638">638</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
103 </div>103 </div>
104 </div>104 </div>
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117 ········</tr>117 ········</tr>
118 ······</table>118 ······</table>
119 </div><div·class="memdoc">119 </div><div·class="memdoc">
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00637">637</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00637">637</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
121 </div>121 </div>
122 </div>122 </div>
123 <a·id="a714178bb1c456a1c4f3a70b57db748d3"·name="a714178bb1c456a1c4f3a70b57db748d3"></a>123 <a·id="a714178bb1c456a1c4f3a70b57db748d3"·name="a714178bb1c456a1c4f3a70b57db748d3"></a>
124 <h2·class="memtitle"><span·class="permalink"><a·href="#a714178bb1c456a1c4f3a70b57db748d3">&#9670;&nbsp;</a></span>record_type</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#a714178bb1c456a1c4f3a70b57db748d3">&#9670;&nbsp;</a></span>record_type</h2>
  
125 <div·class="memitem">125 <div·class="memitem">
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130 ······<table·class="memname">130 ······<table·class="memname">
131 ········<tr>131 ········<tr>
132 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordEXPDTA::record_type</td>132 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordEXPDTA::record_type</td>
133 ········</tr>133 ········</tr>
134 ······</table>134 ······</table>
135 </div><div·class="memdoc">135 </div><div·class="memdoc">
  
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00636">636</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00636">636</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
137 </div>137 </div>
138 </div>138 </div>
139 <a·id="a45bb977420d1fb106ad8e97be77e3719"·name="a45bb977420d1fb106ad8e97be77e3719"></a>139 <a·id="a45bb977420d1fb106ad8e97be77e3719"·name="a45bb977420d1fb106ad8e97be77e3719"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a45bb977420d1fb106ad8e97be77e3719">&#9670;&nbsp;</a></span>technique</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a45bb977420d1fb106ad8e97be77e3719">&#9670;&nbsp;</a></span>technique</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
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147 ········<tr>147 ········<tr>
148 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a2efb96823622ca5260051526bb4eaf5d">SList</a>·BALL::PDB::RecordEXPDTA::technique</td>148 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a2efb96823622ca5260051526bb4eaf5d">SList</a>·BALL::PDB::RecordEXPDTA::technique</td>
149 ········</tr>149 ········</tr>
150 ······</table>150 ······</table>
151 </div><div·class="memdoc">151 </div><div·class="memdoc">
  
152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00639">639</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00639">639</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
153 </div>153 </div>
154 </div>154 </div>
155 </div><!--·contents·-->155 </div><!--·contents·-->
156 <!--·start·footer·part·-->156 <!--·start·footer·part·-->
157 <hr·class="footer"/><address·class="footer"><small>157 <hr·class="footer"/><address·class="footer"><small>
158 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4158 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d0/df8/a07571.html">List·of·all·members</a>··</div>70 <a·href="../../d0/df8/a07571.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockProgressDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockProgressDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d2/d4c/a01307_source.html">BALL/VIEW/DIALOGS/dockProgressDialog.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d0/d00/a01286_source.html">BALL/VIEW/DIALOGS/dockProgressDialog.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::DockProgressDialog:</div>76 Inheritance·diagram·for·BALL::VIEW::DockProgressDialog:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d0/dd3/a07574.png"·usemap="#BALL::VIEW::DockProgressDialog_map"·alt=""/>79 ··<img·src="../../d0/dd3/a07574.png"·usemap="#BALL::VIEW::DockProgressDialog_map"·alt=""/>
80 ··<map·id="BALL::VIEW::DockProgressDialog_map"·name="BALL::VIEW::DockProgressDialog_map">80 ··<map·id="BALL::VIEW::DockProgressDialog_map"·name="BALL::VIEW::DockProgressDialog_map">
81 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,202,24"/>81 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,202,24"/>
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106 <tr·class="separator:a663e1211faf18c3eb2faa3566b5e2802"><td·class="memSeparator"·colspan="2">&#160;</td></tr>106 <tr·class="separator:a663e1211faf18c3eb2faa3566b5e2802"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
107 <tr·class="memitem:ae3abfbf358809a302e0557f502284169"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dd3/a07574.html#ae3abfbf358809a302e0557f502284169">updateProgress_</a>·()</td></tr>107 <tr·class="memitem:ae3abfbf358809a302e0557f502284169"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dd3/a07574.html#ae3abfbf358809a302e0557f502284169">updateProgress_</a>·()</td></tr>
108 <tr·class="separator:ae3abfbf358809a302e0557f502284169"><td·class="memSeparator"·colspan="2">&#160;</td></tr>108 <tr·class="separator:ae3abfbf358809a302e0557f502284169"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
109 </table>109 </table>
110 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>110 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
111 <div·class="textblock"><p·>Dialog·for·showing·the·progress·during·a·docking·calculation.·</p>111 <div·class="textblock"><p·>Dialog·for·showing·the·progress·during·a·docking·calculation.·</p>
  
112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d4c/a01307_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d2/d4c/a01307_source.html">dockProgressDialog.h</a>.</p>112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d00/a01286_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d0/d00/a01286_source.html">dockProgressDialog.h</a>.</p>
113 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>113 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
114 <a·id="a28b1aadca585491f72be800fd7e10657"·name="a28b1aadca585491f72be800fd7e10657"></a>114 <a·id="a28b1aadca585491f72be800fd7e10657"·name="a28b1aadca585491f72be800fd7e10657"></a>
115 <h2·class="memtitle"><span·class="permalink"><a·href="#a28b1aadca585491f72be800fd7e10657">&#9670;&nbsp;</a></span>DockProgressDialog()</h2>115 <h2·class="memtitle"><span·class="permalink"><a·href="#a28b1aadca585491f72be800fd7e10657">&#9670;&nbsp;</a></span>DockProgressDialog()</h2>
  
116 <div·class="memitem">116 <div·class="memitem">
117 <div·class="memproto">117 <div·class="memproto">
118 ······<table·class="memname">118 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d4/dcc/a07867.html">List·of·all·members</a>··</div>71 <a·href="../../d4/dcc/a07867.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TransformationMessage·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TransformationMessage·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d39/a01112_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::TransformationMessage:</div>77 Inheritance·diagram·for·BALL::VIEW::TransformationMessage:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d0/dd3/a07870.png"·usemap="#BALL::VIEW::TransformationMessage_map"·alt=""/>80 ··<img·src="../../d0/dd3/a07870.png"·usemap="#BALL::VIEW::TransformationMessage_map"·alt=""/>
81 ··<map·id="BALL::VIEW::TransformationMessage_map"·name="BALL::VIEW::TransformationMessage_map">81 ··<map·id="BALL::VIEW::TransformationMessage_map"·name="BALL::VIEW::TransformationMessage_map">
82 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,221,24"/>82 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,221,24"/>
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110 <tr·class="memitem:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#a87214db6ae48007398e7af3d53608a8f">isDeletable</a>·()·const</td></tr>110 <tr·class="memitem:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#a87214db6ae48007398e7af3d53608a8f">isDeletable</a>·()·const</td></tr>
111 <tr·class="separator:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>111 <tr·class="separator:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
112 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>112 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>
113 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>113 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
114 </table>114 </table>
115 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>115 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
116 <div·class="textblock">116 <div·class="textblock">
117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00734">734</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00734">734</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
118 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>118 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
119 <a·id="a9c2d9e5c8de3a027d70ba42369d77180"·name="a9c2d9e5c8de3a027d70ba42369d77180"></a>119 <a·id="a9c2d9e5c8de3a027d70ba42369d77180"·name="a9c2d9e5c8de3a027d70ba42369d77180"></a>
120 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c2d9e5c8de3a027d70ba42369d77180">&#9670;&nbsp;</a></span>TransformationMessage()·<span·class="overload">[1/2]</span></h2>120 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c2d9e5c8de3a027d70ba42369d77180">&#9670;&nbsp;</a></span>TransformationMessage()·<span·class="overload">[1/2]</span></h2>
  
121 <div·class="memitem">121 <div·class="memitem">
122 <div·class="memproto">122 <div·class="memproto">
123 ······<table·class="memname">123 ······<table·class="memname">
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171 ··</td>171 ··</td>
172 ··<td·class="mlabels-right">172 ··<td·class="mlabels-right">
173 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>173 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
174 ··</tr>174 ··</tr>
175 </table>175 </table>
176 </div><div·class="memdoc">176 </div><div·class="memdoc">
  
177 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00750">750</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>177 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00750">750</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
178 </div>178 </div>
179 </div>179 </div>
180 <a·id="a641053e0585e4df691038e457f322efe"·name="a641053e0585e4df691038e457f322efe"></a>180 <a·id="a641053e0585e4df691038e457f322efe"·name="a641053e0585e4df691038e457f322efe"></a>
181 <h2·class="memtitle"><span·class="permalink"><a·href="#a641053e0585e4df691038e457f322efe">&#9670;&nbsp;</a></span>setMatrix()</h2>181 <h2·class="memtitle"><span·class="permalink"><a·href="#a641053e0585e4df691038e457f322efe">&#9670;&nbsp;</a></span>setMatrix()</h2>
  
182 <div·class="memitem">182 <div·class="memitem">
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199 ··</td>199 ··</td>
200 ··<td·class="mlabels-right">200 ··<td·class="mlabels-right">
201 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>201 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
202 ··</tr>202 ··</tr>
203 </table>203 </table>
204 </div><div·class="memdoc">204 </div><div·class="memdoc">
  
205 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00746">746</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>205 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00746">746</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
206 </div>206 </div>
207 </div>207 </div>
208 </div><!--·contents·-->208 </div><!--·contents·-->
209 <!--·start·footer·part·-->209 <!--·start·footer·part·-->
210 <hr·class="footer"/><address·class="footer"><small>210 <hr·class="footer"/><address·class="footer"><small>
211 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4211 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../de/d93/a04235.html">List·of·all·members</a>··</div>71 <a·href="../../de/d93/a04235.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordJRNL·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordJRNL·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
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65 </div>65 </div>
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67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">mesh.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">bufferedRenderer.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d62/a01805_source.html">BALL/MATHS/surface.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d6f/a01445_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d8/d27/a01043_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d8/dd0/a01430_source.html">BALL/VIEW/RENDERING/renderTarget.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d1/dde/a01496_source.html">BALL/VIEW/DATATYPE/colorExtensions.h</a>&gt;</code><br·/> 
77 </div>76 </div>
78 <p><a·href="../../d0/de2/a01442_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d0/de2/a01442_source.html">Go·to·the·source·code·of·this·file.</a></p>
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88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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73 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCON061·Struct·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCON061·Struct·Reference</div></div>
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75 <div·class="contents">75 <div·class="contents">
  
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79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a69d85e2b7fdbc708f985da91d1285fbb"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/de3/a04138.html#a69d85e2b7fdbc708f985da91d1285fbb">clear</a>·()</td></tr>80 <tr·class="memitem:a69d85e2b7fdbc708f985da91d1285fbb"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/de3/a04138.html#a69d85e2b7fdbc708f985da91d1285fbb">clear</a>·()</td></tr>
81 <tr·class="separator:a69d85e2b7fdbc708f985da91d1285fbb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a69d85e2b7fdbc708f985da91d1285fbb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
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90 <tr·class="memitem:af689c69780fe21b670e18537bc0b237b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/de3/a04138.html#af689c69780fe21b670e18537bc0b237b">atom_serial_number</a></td></tr>90 <tr·class="memitem:af689c69780fe21b670e18537bc0b237b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/de3/a04138.html#af689c69780fe21b670e18537bc0b237b">atom_serial_number</a></td></tr>
91 <tr·class="separator:af689c69780fe21b670e18537bc0b237b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:af689c69780fe21b670e18537bc0b237b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:a80952c317a2fc3e401a26524f88f01b4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/de3/a04138.html#a80952c317a2fc3e401a26524f88f01b4">bond_atom</a>·[4]</td></tr>92 <tr·class="memitem:a80952c317a2fc3e401a26524f88f01b4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/de3/a04138.html#a80952c317a2fc3e401a26524f88f01b4">bond_atom</a>·[4]</td></tr>
93 <tr·class="separator:a80952c317a2fc3e401a26524f88f01b4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:a80952c317a2fc3e401a26524f88f01b4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>94 </table>
95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock">96 <div·class="textblock">
97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00497">497</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00497">497</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
98 </div><h2·class="groupheader">Member·Function·Documentation</h2>98 </div><h2·class="groupheader">Member·Function·Documentation</h2>
99 <a·id="a69d85e2b7fdbc708f985da91d1285fbb"·name="a69d85e2b7fdbc708f985da91d1285fbb"></a>99 <a·id="a69d85e2b7fdbc708f985da91d1285fbb"·name="a69d85e2b7fdbc708f985da91d1285fbb"></a>
100 <h2·class="memtitle"><span·class="permalink"><a·href="#a69d85e2b7fdbc708f985da91d1285fbb">&#9670;&nbsp;</a></span>clear()</h2>100 <h2·class="memtitle"><span·class="permalink"><a·href="#a69d85e2b7fdbc708f985da91d1285fbb">&#9670;&nbsp;</a></span>clear()</h2>
  
101 <div·class="memitem">101 <div·class="memitem">
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117 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>117 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
118 ··</tr>118 ··</tr>
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120 </div><div·class="memdoc">120 </div><div·class="memdoc">
  
121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00504">504</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00504">504</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
122 </div>122 </div>
123 </div>123 </div>
124 <h2·class="groupheader">Member·Data·Documentation</h2>124 <h2·class="groupheader">Member·Data·Documentation</h2>
125 <a·id="af689c69780fe21b670e18537bc0b237b"·name="af689c69780fe21b670e18537bc0b237b"></a>125 <a·id="af689c69780fe21b670e18537bc0b237b"·name="af689c69780fe21b670e18537bc0b237b"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#af689c69780fe21b670e18537bc0b237b">&#9670;&nbsp;</a></span>atom_serial_number</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#af689c69780fe21b670e18537bc0b237b">&#9670;&nbsp;</a></span>atom_serial_number</h2>
  
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134 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON061::atom_serial_number</td>134 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON061::atom_serial_number</td>
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137 </div><div·class="memdoc">137 </div><div·class="memdoc">
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00501">501</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00501">501</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
139 </div>139 </div>
140 </div>140 </div>
141 <a·id="a80952c317a2fc3e401a26524f88f01b4"·name="a80952c317a2fc3e401a26524f88f01b4"></a>141 <a·id="a80952c317a2fc3e401a26524f88f01b4"·name="a80952c317a2fc3e401a26524f88f01b4"></a>
142 <h2·class="memtitle"><span·class="permalink"><a·href="#a80952c317a2fc3e401a26524f88f01b4">&#9670;&nbsp;</a></span>bond_atom</h2>142 <h2·class="memtitle"><span·class="permalink"><a·href="#a80952c317a2fc3e401a26524f88f01b4">&#9670;&nbsp;</a></span>bond_atom</h2>
  
143 <div·class="memitem">143 <div·class="memitem">
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150 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON061::bond_atom[4]</td>150 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON061::bond_atom[4]</td>
151 ········</tr>151 ········</tr>
152 ······</table>152 ······</table>
153 </div><div·class="memdoc">153 </div><div·class="memdoc">
  
154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00502">502</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00502">502</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
155 </div>155 </div>
156 </div>156 </div>
157 <a·id="ad6045ca692c711e2aeee76432f49e5f7"·name="ad6045ca692c711e2aeee76432f49e5f7"></a>157 <a·id="ad6045ca692c711e2aeee76432f49e5f7"·name="ad6045ca692c711e2aeee76432f49e5f7"></a>
158 <h2·class="memtitle"><span·class="permalink"><a·href="#ad6045ca692c711e2aeee76432f49e5f7">&#9670;&nbsp;</a></span>record_name</h2>158 <h2·class="memtitle"><span·class="permalink"><a·href="#ad6045ca692c711e2aeee76432f49e5f7">&#9670;&nbsp;</a></span>record_name</h2>
  
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166 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordCON061::record_name</td>166 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordCON061::record_name</td>
167 ········</tr>167 ········</tr>
168 ······</table>168 ······</table>
169 </div><div·class="memdoc">169 </div><div·class="memdoc">
  
170 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00500">500</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>170 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00500">500</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
171 </div>171 </div>
172 </div>172 </div>
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174 <h2·class="memtitle"><span·class="permalink"><a·href="#ae53c77e34c1e09163ecf9dbe499dd25c">&#9670;&nbsp;</a></span>record_type</h2>174 <h2·class="memtitle"><span·class="permalink"><a·href="#ae53c77e34c1e09163ecf9dbe499dd25c">&#9670;&nbsp;</a></span>record_type</h2>
  
175 <div·class="memitem">175 <div·class="memitem">
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182 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordCON061::record_type</td>182 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordCON061::record_type</td>
183 ········</tr>183 ········</tr>
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185 </div><div·class="memdoc">185 </div><div·class="memdoc">
  
186 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00499">499</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>186 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00499">499</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-types">Public·Types</a>·&#124;70 <a·href="#pub-types">Public·Types</a>·&#124;
71 <a·href="../../d8/d95/a04811.html">List·of·all·members</a>··</div>71 <a·href="../../d8/d95/a04811.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::FloatTraits·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::FloatTraits·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d12/a01799_source.html">BALL/MATHS/fftwCommon.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d5e/a00275_source.html">BALL/MATHS/fftwCommon.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
78 Public·Types</h2></td></tr>78 Public·Types</h2></td></tr>
79 <tr·class="memitem:a2ef1ea8fa02b951589f5d027151dfad6"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/de6/a04814.html#a2ef1ea8fa02b951589f5d027151dfad6">ComplexPrecision</a></td></tr>79 <tr·class="memitem:a2ef1ea8fa02b951589f5d027151dfad6"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/de6/a04814.html#a2ef1ea8fa02b951589f5d027151dfad6">ComplexPrecision</a></td></tr>
80 <tr·class="separator:a2ef1ea8fa02b951589f5d027151dfad6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a2ef1ea8fa02b951589f5d027151dfad6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a76aeceed7cd4d61f8fd9d1e62055a4bc"><td·class="memItemLeft"·align="right"·valign="top">typedef·fftwf_plan&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/de6/a04814.html#a76aeceed7cd4d61f8fd9d1e62055a4bc">FftwPlan</a></td></tr>81 <tr·class="memitem:a76aeceed7cd4d61f8fd9d1e62055a4bc"><td·class="memItemLeft"·align="right"·valign="top">typedef·fftwf_plan&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/de6/a04814.html#a76aeceed7cd4d61f8fd9d1e62055a4bc">FftwPlan</a></td></tr>
82 <tr·class="separator:a76aeceed7cd4d61f8fd9d1e62055a4bc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a76aeceed7cd4d61f8fd9d1e62055a4bc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock">85 <div·class="textblock">
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a01799_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d5/d12/a01799_source.html">fftwCommon.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d5e/a00275_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d3/d5e/a00275_source.html">fftwCommon.h</a>.</p>
87 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>87 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
88 <a·id="a2ef1ea8fa02b951589f5d027151dfad6"·name="a2ef1ea8fa02b951589f5d027151dfad6"></a>88 <a·id="a2ef1ea8fa02b951589f5d027151dfad6"·name="a2ef1ea8fa02b951589f5d027151dfad6"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#a2ef1ea8fa02b951589f5d027151dfad6">&#9670;&nbsp;</a></span>ComplexPrecision</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#a2ef1ea8fa02b951589f5d027151dfad6">&#9670;&nbsp;</a></span>ComplexPrecision</h2>
  
90 <div·class="memitem">90 <div·class="memitem">
91 <div·class="memproto">91 <div·class="memproto">
92 ······<table·class="memname">92 ······<table·class="memname">
93 ········<tr>93 ········<tr>
94 ··········<td·class="memname">typedef·<a·class="el"·href="../../de/ded/a09238.html">float</a>·<a·class="el"·href="../../d0/de6/a04814.html#a2ef1ea8fa02b951589f5d027151dfad6">BALL::FloatTraits::ComplexPrecision</a></td>94 ··········<td·class="memname">typedef·<a·class="el"·href="../../de/ded/a09238.html">float</a>·<a·class="el"·href="../../d0/de6/a04814.html#a2ef1ea8fa02b951589f5d027151dfad6">BALL::FloatTraits::ComplexPrecision</a></td>
95 ········</tr>95 ········</tr>
96 ······</table>96 ······</table>
97 </div><div·class="memdoc">97 </div><div·class="memdoc">
  
98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a01799_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d5/d12/a01799_source.html">fftwCommon.h</a>.</p>98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d5e/a00275_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d3/d5e/a00275_source.html">fftwCommon.h</a>.</p>
  
99 </div>99 </div>
100 </div>100 </div>
101 <a·id="a76aeceed7cd4d61f8fd9d1e62055a4bc"·name="a76aeceed7cd4d61f8fd9d1e62055a4bc"></a>101 <a·id="a76aeceed7cd4d61f8fd9d1e62055a4bc"·name="a76aeceed7cd4d61f8fd9d1e62055a4bc"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#a76aeceed7cd4d61f8fd9d1e62055a4bc">&#9670;&nbsp;</a></span>FftwPlan</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#a76aeceed7cd4d61f8fd9d1e62055a4bc">&#9670;&nbsp;</a></span>FftwPlan</h2>
  
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81 <p><a·href="../../d0/deb/a01508_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d0/deb/a01508_source.html">Go·to·the·source·code·of·this·file.</a></p>
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79 <p><a·href="../../d0/dfe/a02102_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../d0/dfe/a02102_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">82 <table·class="memberdecls">
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 138 ··········<td·class="paramtype">char·**&#160;</td>
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 141 ········<tr>
 142 ··········<td></td>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../da/de1/a06383.html">List·of·all·members</a>··</div>71 <a·href="../../da/de1/a06383.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::EnergeticEvaluation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../de/df6/a02197.html">Docking·of·molecular·structures</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::EnergeticEvaluation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../de/df6/a02197.html">Docking·of·molecular·structures</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dd6/a00272_source.html">BALL/SCORING/FUNCTIONS/energeticEvaluation.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/dae/a01994_source.html">BALL/SCORING/FUNCTIONS/energeticEvaluation.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::EnergeticEvaluation:</div>77 Inheritance·diagram·for·BALL::EnergeticEvaluation:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d1/d03/a06386.png"·usemap="#BALL::EnergeticEvaluation_map"·alt=""/>80 ··<img·src="../../d1/d03/a06386.png"·usemap="#BALL::EnergeticEvaluation_map"·alt=""/>
81 ··<map·id="BALL::EnergeticEvaluation_map"·name="BALL::EnergeticEvaluation_map">81 ··<map·id="BALL::EnergeticEvaluation_map"·name="BALL::EnergeticEvaluation_map">
82 <area·href="../../d9/d71/a06390.html"·alt="BALL::ForceFieldEvaluation"·shape="rect"·coords="0,56,170,80"/>82 <area·href="../../d9/d71/a06390.html"·alt="BALL::ForceFieldEvaluation"·shape="rect"·coords="0,56,170,80"/>
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94 <tr·class="separator:a6bac4b9f138f391b4958d8c973a8bee8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:a6bac4b9f138f391b4958d8c973a8bee8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 <tr·class="memitem:a52faa1456d1006789f6b8fe2e9e80beb"><td·class="memItemLeft"·align="right"·valign="top">virtual·std::vector&lt;·<a·class="el"·href="../../d6/d81/a03630.html#ab1522298103379bd9dda926b719e2f27">ConformationSet::Conformation</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d03/a06386.html#a52faa1456d1006789f6b8fe2e9e80beb">operator()</a>·(<a·class="el"·href="../../d6/d81/a03630.html">ConformationSet</a>·&amp;conformations)</td></tr>95 <tr·class="memitem:a52faa1456d1006789f6b8fe2e9e80beb"><td·class="memItemLeft"·align="right"·valign="top">virtual·std::vector&lt;·<a·class="el"·href="../../d6/d81/a03630.html#ab1522298103379bd9dda926b719e2f27">ConformationSet::Conformation</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d03/a06386.html#a52faa1456d1006789f6b8fe2e9e80beb">operator()</a>·(<a·class="el"·href="../../d6/d81/a03630.html">ConformationSet</a>·&amp;conformations)</td></tr>
96 <tr·class="separator:a52faa1456d1006789f6b8fe2e9e80beb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:a52faa1456d1006789f6b8fe2e9e80beb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>97 </table>
98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
99 <div·class="textblock"><p·>Base·class·for·energetic·evaluators·of·docking·results.·This·trivial·class·will·return·the·identity·scoring,·leaving·permutation·and·score·unchanged.·</p>99 <div·class="textblock"><p·>Base·class·for·energetic·evaluators·of·docking·results.·This·trivial·class·will·return·the·identity·scoring,·leaving·permutation·and·score·unchanged.·</p>
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd6/a00272_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d9/dd6/a00272_source.html">energeticEvaluation.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dae/a01994_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d4/dae/a01994_source.html">energeticEvaluation.h</a>.</p>
101 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>101 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
102 <a·id="a555ca0b2e407fc9306947b240159ad41"·name="a555ca0b2e407fc9306947b240159ad41"></a>102 <a·id="a555ca0b2e407fc9306947b240159ad41"·name="a555ca0b2e407fc9306947b240159ad41"></a>
103 <h2·class="memtitle"><span·class="permalink"><a·href="#a555ca0b2e407fc9306947b240159ad41">&#9670;&nbsp;</a></span>EnergeticEvaluation()</h2>103 <h2·class="memtitle"><span·class="permalink"><a·href="#a555ca0b2e407fc9306947b240159ad41">&#9670;&nbsp;</a></span>EnergeticEvaluation()</h2>
  
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124; 
70 <a·href="#namespaces">Namespaces</a>··</div>69 <a·href="#namespaces">Namespaces</a>·&#124;
 70 <a·href="#typedef-members">Typedefs</a>··</div>
71 ··<div·class="headertitle"><div·class="title">buildBondsProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">stringHashSet.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d7/d00/a00401_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d0/d36/a01916_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
79 </div>76 </div>
80 <p><a·href="../../d1/d04/a00713_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d1/d04/a00713_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls">78 <table·class="memberdecls">
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
83 Classes</h2></td></tr> 
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dec/a06822.html">BALL::BuildBondsProcessor</a></td></tr> 
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/df9/a06826.html">BALL::BuildBondsProcessor::Option</a></td></tr> 
87 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d6/df9/a06826.html"·title="Option·names.">Option</a>·names.··<a·href="../../d6/df9/a06826.html#details">More...</a><br·/></td></tr> 
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d31/a06830.html">BALL::BuildBondsProcessor::Default</a></td></tr> 
90 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../dc/d31/a06830.html"·title="Default·values·for·options.">Default</a>·values·for·options.··<a·href="../../dc/d31/a06830.html#details">More...</a><br·/></td></tr> 
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
92 </table><table·class="memberdecls"> 
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
94 Namespaces</h2></td></tr>80 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>81 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 83 </table><table·class="memberdecls">
 84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
 85 Typedefs</h2></td></tr>
 86 <tr·class="memitem:ga18f879702c5070d54c2653d9f6e7ada5"><td·class="memItemLeft"·align="right"·valign="top">typedef·HashSet&lt;·String·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d67/a02133.html#ga18f879702c5070d54c2653d9f6e7ada5">BALL::StringHashSet</a></td></tr>
 87 <tr·class="separator:ga18f879702c5070d54c2653d9f6e7ada5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>88 </table>
98 </div><!--·contents·-->89 </div><!--·contents·-->
99 <!--·start·footer·part·-->90 <!--·start·footer·part·-->
100 <hr·class="footer"/><address·class="footer"><small>91 <hr·class="footer"/><address·class="footer"><small>
101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.492 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-slots">Public·Slots</a>·&#124;70 <a·href="#pub-slots">Public·Slots</a>·&#124;
71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="../../da/dd0/a08431.html">List·of·all·members</a>··</div>72 <a·href="../../da/dd0/a08431.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DragLogView·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DragLogView·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../de/d2c/a01553_source.html">BALL/VIEW/WIDGETS/logView.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d1/dfa/a01097_source.html">BALL/VIEW/WIDGETS/logView.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::DragLogView:</div>78 Inheritance·diagram·for·BALL::VIEW::DragLogView:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d1/d05/a08434.png"·usemap="#BALL::VIEW::DragLogView_map"·alt=""/>81 ··<img·src="../../d1/d05/a08434.png"·usemap="#BALL::VIEW::DragLogView_map"·alt=""/>
82 ··<map·id="BALL::VIEW::DragLogView_map"·name="BALL::VIEW::DragLogView_map">82 ··<map·id="BALL::VIEW::DragLogView_map"·name="BALL::VIEW::DragLogView_map">
83 <area·href="../../db/d2e/a20134.html"·alt="QTextBrowser"·shape="rect"·coords="0,0,163,24"/>83 <area·href="../../db/d2e/a20134.html"·alt="QTextBrowser"·shape="rect"·coords="0,0,163,24"/>
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99 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>99 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
100 Public·Member·Functions</h2></td></tr>100 Public·Member·Functions</h2></td></tr>
101 <tr·class="memitem:a7fe199d6f44f84586b9d8007ff5fdea5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d05/a08434.html#a7fe199d6f44f84586b9d8007ff5fdea5">DragLogView</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*parent)</td></tr>101 <tr·class="memitem:a7fe199d6f44f84586b9d8007ff5fdea5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d05/a08434.html#a7fe199d6f44f84586b9d8007ff5fdea5">DragLogView</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*parent)</td></tr>
102 <tr·class="separator:a7fe199d6f44f84586b9d8007ff5fdea5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:a7fe199d6f44f84586b9d8007ff5fdea5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 </table>103 </table>
104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
105 <div·class="textblock">105 <div·class="textblock">
106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d2c/a01553_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../de/d2c/a01553_source.html">logView.h</a>.</p>106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dfa/a01097_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d1/dfa/a01097_source.html">logView.h</a>.</p>
107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
108 <a·id="a7fe199d6f44f84586b9d8007ff5fdea5"·name="a7fe199d6f44f84586b9d8007ff5fdea5"></a>108 <a·id="a7fe199d6f44f84586b9d8007ff5fdea5"·name="a7fe199d6f44f84586b9d8007ff5fdea5"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#a7fe199d6f44f84586b9d8007ff5fdea5">&#9670;&nbsp;</a></span>DragLogView()</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#a7fe199d6f44f84586b9d8007ff5fdea5">&#9670;&nbsp;</a></span>DragLogView()</h2>
  
110 <div·class="memitem">110 <div·class="memitem">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../dc/d14/a03479.html">List·of·all·members</a>··</div>71 <a·href="../../dc/d14/a03479.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::FillInHeuristic·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::FillInHeuristic·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../de/dca/a01907_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:a0e70b5f9741c2143a5cd1d0d896bcda6"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d1/d82/a03450.html#aebe8dceb082f270b5debac27024464a4">VertexType</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d07/a03482.html#a0e70b5f9741c2143a5cd1d0d896bcda6">operator()</a>·(UndirectedGraph·&amp;graph)</td></tr>79 <tr·class="memitem:a0e70b5f9741c2143a5cd1d0d896bcda6"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d1/d82/a03450.html#aebe8dceb082f270b5debac27024464a4">VertexType</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d07/a03482.html#a0e70b5f9741c2143a5cd1d0d896bcda6">operator()</a>·(UndirectedGraph·&amp;graph)</td></tr>
80 <tr·class="separator:a0e70b5f9741c2143a5cd1d0d896bcda6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a0e70b5f9741c2143a5cd1d0d896bcda6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:ab268a4498a158e3e782158875fedcdf2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d07/a03482.html#ab268a4498a158e3e782158875fedcdf2">edgeIncreaseByEliminating</a>·(<a·class="el"·href="../../d1/d82/a03450.html#ad800323c80a32afe7467cb154f6c23ac">VertexIterator</a>·vertex,·UndirectedGraph·&amp;graph)</td></tr>81 <tr·class="memitem:ab268a4498a158e3e782158875fedcdf2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d07/a03482.html#ab268a4498a158e3e782158875fedcdf2">edgeIncreaseByEliminating</a>·(<a·class="el"·href="../../d1/d82/a03450.html#ad800323c80a32afe7467cb154f6c23ac">VertexIterator</a>·vertex,·UndirectedGraph·&amp;graph)</td></tr>
82 <tr·class="separator:ab268a4498a158e3e782158875fedcdf2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:ab268a4498a158e3e782158875fedcdf2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·UndirectedGraph&gt;<br·/>85 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·UndirectedGraph&gt;<br·/>
86 struct·BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::FillInHeuristic</div><p·>A·criterium·for·GreedyFillIn·which·search·for·a·vertex·with·minimum·number·of·additional·edges·after·eliminating·</p>86 struct·BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::FillInHeuristic</div><p·>A·criterium·for·GreedyFillIn·which·search·for·a·vertex·with·minimum·number·of·additional·edges·after·eliminating·</p>
  
87 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00299">299</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">treeWidth.h</a>.</p>87 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00299">299</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
88 </div><h2·class="groupheader">Member·Function·Documentation</h2>88 </div><h2·class="groupheader">Member·Function·Documentation</h2>
89 <a·id="ab268a4498a158e3e782158875fedcdf2"·name="ab268a4498a158e3e782158875fedcdf2"></a>89 <a·id="ab268a4498a158e3e782158875fedcdf2"·name="ab268a4498a158e3e782158875fedcdf2"></a>
90 <h2·class="memtitle"><span·class="permalink"><a·href="#ab268a4498a158e3e782158875fedcdf2">&#9670;&nbsp;</a></span>edgeIncreaseByEliminating()</h2>90 <h2·class="memtitle"><span·class="permalink"><a·href="#ab268a4498a158e3e782158875fedcdf2">&#9670;&nbsp;</a></span>edgeIncreaseByEliminating()</h2>
  
91 <div·class="memitem">91 <div·class="memitem">
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93 <div·class="memtemplate">93 <div·class="memtemplate">
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8 <title>BALL:·PDBRecords.h·File·Reference</title>8 <title>BALL:·typenameRuleProcessor.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">PDBRecords.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">typenameRuleProcessor.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/MOLMEC/COMMON/ruleProcessor.h</a>&gt;</code><br·/>
74 <div·class="textblock"><code>#include·&lt;vector&gt;</code><br·/> 
75 <code>#include·&lt;stdexcept&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d0/d36/a01916_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d4/d49/a01643_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/> 
78 </div>75 </div>
79 <p><a·href="../../d1/d09/a00077_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d1/d09/a00077_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">77 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>79 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d74/a04418.html">BALL::PDBRecords</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d8c/a05130.html">BALL::TypenameRuleProcessor</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
87 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d6/d32/a05051.html">List·of·all·members</a>··</div>70 <a·href="../../d6/d32/a05051.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::AssignTypeProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d03/a02172.html">General·Force·Field·Classes.</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::AssignTypeProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d03/a02172.html">General·Force·Field·Classes.</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../dd/d08/a00884_source.html">BALL/MOLMEC/COMMON/assignTypes.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d1/d44/a00098_source.html">BALL/MOLMEC/COMMON/assignTypes.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::AssignTypeProcessor:</div>76 Inheritance·diagram·for·BALL::AssignTypeProcessor:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d1/d09/a05054.png"·usemap="#BALL::AssignTypeProcessor_map"·alt=""/>79 ··<img·src="../../d1/d09/a05054.png"·usemap="#BALL::AssignTypeProcessor_map"·alt=""/>
80 ··<map·id="BALL::AssignTypeProcessor_map"·name="BALL::AssignTypeProcessor_map">80 ··<map·id="BALL::AssignTypeProcessor_map"·name="BALL::AssignTypeProcessor_map">
81 <area·href="../../da/df4/a05050.html"·title="Only·used·for·deriving·interface."·alt="BALL::AssignBaseProcessor"·shape="rect"·coords="0,112,286,136"/>81 <area·href="../../da/df4/a05050.html"·title="Only·used·for·deriving·interface."·alt="BALL::AssignBaseProcessor"·shape="rect"·coords="0,112,286,136"/>
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141 <tr·class="separator:a1007dcb2de9d4aaf10c2fd9f4ac89776·inherit·pro_attribs_a05050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>141 <tr·class="separator:a1007dcb2de9d4aaf10c2fd9f4ac89776·inherit·pro_attribs_a05050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
142 <tr·class="memitem:a4c0bc41ae6193f1b0ef14e78ecaaab19·inherit·pro_attribs_a05050"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/df4/a05050.html#a4c0bc41ae6193f1b0ef14e78ecaaab19">max_number_unassigned_atoms_</a></td></tr>142 <tr·class="memitem:a4c0bc41ae6193f1b0ef14e78ecaaab19·inherit·pro_attribs_a05050"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/df4/a05050.html#a4c0bc41ae6193f1b0ef14e78ecaaab19">max_number_unassigned_atoms_</a></td></tr>
143 <tr·class="separator:a4c0bc41ae6193f1b0ef14e78ecaaab19·inherit·pro_attribs_a05050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>143 <tr·class="separator:a4c0bc41ae6193f1b0ef14e78ecaaab19·inherit·pro_attribs_a05050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
144 </table>144 </table>
145 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>145 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
146 <div·class="textblock"><p·>Type·assignment·processor.·</p>146 <div·class="textblock"><p·>Type·assignment·processor.·</p>
  
147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a00884_source.html#l00063">63</a>·of·file·<a·class="el"·href="../../dd/d08/a00884_source.html">assignTypes.h</a>.</p>147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00063">63</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">assignTypes.h</a>.</p>
148 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>148 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
149 <a·id="a9c85de87a2fccadced15c0967ffb015f"·name="a9c85de87a2fccadced15c0967ffb015f"></a>149 <a·id="a9c85de87a2fccadced15c0967ffb015f"·name="a9c85de87a2fccadced15c0967ffb015f"></a>
150 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c85de87a2fccadced15c0967ffb015f">&#9670;&nbsp;</a></span>AssignTypeProcessor()</h2>150 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c85de87a2fccadced15c0967ffb015f">&#9670;&nbsp;</a></span>AssignTypeProcessor()</h2>
  
151 <div·class="memitem">151 <div·class="memitem">
152 <div·class="memproto">152 <div·class="memproto">
153 ······<table·class="memname">153 ······<table·class="memname">
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212 ··</td>212 ··</td>
213 ··<td·class="mlabels-right">213 ··<td·class="mlabels-right">
214 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>214 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
215 ··</tr>215 ··</tr>
216 </table>216 </table>
217 </div><div·class="memdoc">217 </div><div·class="memdoc">
  
218 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a00884_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../dd/d08/a00884_source.html">assignTypes.h</a>.</p>218 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">assignTypes.h</a>.</p>
  
219 </div>219 </div>
220 </div>220 </div>
221 </div><!--·contents·-->221 </div><!--·contents·-->
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70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#func-members">Functions</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">createSpectrumProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">modelFactory.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/da8/a00437_source.html">BALL/NMR/peak.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d60/a00818_source.html">BALL/CONCEPT/factory.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d1/d7e/a00434_source.html">BALL/NMR/peakList.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d5/d31/a01931_source.html">BALL/DATATYPE/regularData1D.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../d8/d23/a00326_source.html">BALL/KERNEL/expression.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;<a·class="el"·href="../../d9/dd5/a01886_source.html">BALL/DATATYPE/stringHashSet.h</a>&gt;</code><br·/> 
81 <code>#include·&lt;<a·class="el"·href="../../d2/d9d/a00464_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d7/d5e/a00467_source.html">BALL/QSAR/Model.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d3/def/a00446_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/>
82 </div>77 </div>
83 <p><a·href="../../d1/d0b/a00452_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d1/d0b/a00452_source.html">Go·to·the·source·code·of·this·file.</a></p>
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72 ··<div·class="headertitle"><div·class="title">BALL::SLICKScore::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SLICKScore::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d0f/a00308_source.html">BALL/SCORING/FUNCTIONS/slickScore.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d8/d45/a02021_source.html">BALL/SCORING/FUNCTIONS/slickScore.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
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79 <tr·class="memitem:a177201cd7f6f1439b245395800497e2c"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d0b/a06458.html#a177201cd7f6f1439b245395800497e2c">CONST</a></td></tr>79 <tr·class="memitem:a177201cd7f6f1439b245395800497e2c"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d0b/a06458.html#a177201cd7f6f1439b245395800497e2c">CONST</a></td></tr>
80 <tr·class="separator:a177201cd7f6f1439b245395800497e2c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a177201cd7f6f1439b245395800497e2c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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89 <tr·class="separator:a1255a1be17d8e903daa417cac7d96914"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a1255a1be17d8e903daa417cac7d96914"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p·><a·class="el"·href="../../d1/d0b/a06458.html">Default</a>·values·for·<a·class="el"·href="../../d5/d8c/a06438.html">SLICKEnergy</a>·options.·</p>92 <div·class="textblock"><p·><a·class="el"·href="../../d1/d0b/a06458.html">Default</a>·values·for·<a·class="el"·href="../../d5/d8c/a06438.html">SLICKEnergy</a>·options.·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00308_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d5/d0f/a00308_source.html">slickScore.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="aecac9b241709a507dc6c88cbeca7b438"·name="aecac9b241709a507dc6c88cbeca7b438"></a>95 <a·id="aecac9b241709a507dc6c88cbeca7b438"·name="aecac9b241709a507dc6c88cbeca7b438"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#aecac9b241709a507dc6c88cbeca7b438">&#9670;&nbsp;</a></span>CHPI</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#aecac9b241709a507dc6c88cbeca7b438">&#9670;&nbsp;</a></span>CHPI</h2>
  
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109 ··</td>109 ··</td>
110 ··<td·class="mlabels-right">110 ··<td·class="mlabels-right">
111 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>111 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
112 ··</tr>112 ··</tr>
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114 </div><div·class="memdoc">114 </div><div·class="memdoc">
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00308_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../d5/d0f/a00308_source.html">slickScore.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
  
116 </div>116 </div>
117 </div>117 </div>
118 <a·id="a177201cd7f6f1439b245395800497e2c"·name="a177201cd7f6f1439b245395800497e2c"></a>118 <a·id="a177201cd7f6f1439b245395800497e2c"·name="a177201cd7f6f1439b245395800497e2c"></a>
119 <h2·class="memtitle"><span·class="permalink"><a·href="#a177201cd7f6f1439b245395800497e2c">&#9670;&nbsp;</a></span>CONST</h2>119 <h2·class="memtitle"><span·class="permalink"><a·href="#a177201cd7f6f1439b245395800497e2c">&#9670;&nbsp;</a></span>CONST</h2>
  
120 <div·class="memitem">120 <div·class="memitem">
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134 ··<td·class="mlabels-right">134 ··<td·class="mlabels-right">
135 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>135 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
136 ··</tr>136 ··</tr>
137 </table>137 </table>
138 </div><div·class="memdoc">138 </div><div·class="memdoc">
139 <p·>The·additive·constant·(</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d1/d0b/a06458.html#a177201cd7f6f1439b245395800497e2c">Default::CONST</a>)·</dd></dl>139 <p·>The·additive·constant·(</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d1/d0b/a06458.html#a177201cd7f6f1439b245395800497e2c">Default::CONST</a>)·</dd></dl>
  
140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00308_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../d5/d0f/a00308_source.html">slickScore.h</a>.</p>140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
  
141 </div>141 </div>
142 </div>142 </div>
143 <a·id="a343fd13b0aa5b37938e01cd734b01f81"·name="a343fd13b0aa5b37938e01cd734b01f81"></a>143 <a·id="a343fd13b0aa5b37938e01cd734b01f81"·name="a343fd13b0aa5b37938e01cd734b01f81"></a>
144 <h2·class="memtitle"><span·class="permalink"><a·href="#a343fd13b0aa5b37938e01cd734b01f81">&#9670;&nbsp;</a></span>HB</h2>144 <h2·class="memtitle"><span·class="permalink"><a·href="#a343fd13b0aa5b37938e01cd734b01f81">&#9670;&nbsp;</a></span>HB</h2>
  
145 <div·class="memitem">145 <div·class="memitem">
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158 ··</td>158 ··</td>
159 ··<td·class="mlabels-right">159 ··<td·class="mlabels-right">
160 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>160 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
161 ··</tr>161 ··</tr>
162 </table>162 </table>
163 </div><div·class="memdoc">163 </div><div·class="memdoc">
  
164 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00308_source.html#l00077">77</a>·of·file·<a·class="el"·href="../../d5/d0f/a00308_source.html">slickScore.h</a>.</p>164 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00077">77</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
  
165 </div>165 </div>
166 </div>166 </div>
167 <a·id="a1255a1be17d8e903daa417cac7d96914"·name="a1255a1be17d8e903daa417cac7d96914"></a>167 <a·id="a1255a1be17d8e903daa417cac7d96914"·name="a1255a1be17d8e903daa417cac7d96914"></a>
168 <h2·class="memtitle"><span·class="permalink"><a·href="#a1255a1be17d8e903daa417cac7d96914">&#9670;&nbsp;</a></span>POLAR</h2>168 <h2·class="memtitle"><span·class="permalink"><a·href="#a1255a1be17d8e903daa417cac7d96914">&#9670;&nbsp;</a></span>POLAR</h2>
  
169 <div·class="memitem">169 <div·class="memitem">
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182 ··</td>182 ··</td>
183 ··<td·class="mlabels-right">183 ··<td·class="mlabels-right">
184 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>184 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
185 ··</tr>185 ··</tr>
186 </table>186 </table>
187 </div><div·class="memdoc">187 </div><div·class="memdoc">
  
188 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00308_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../d5/d0f/a00308_source.html">slickScore.h</a>.</p>188 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
  
189 </div>189 </div>
190 </div>190 </div>
191 <a·id="adf998c802bb4fc5332a6665e535e96a9"·name="adf998c802bb4fc5332a6665e535e96a9"></a>191 <a·id="adf998c802bb4fc5332a6665e535e96a9"·name="adf998c802bb4fc5332a6665e535e96a9"></a>
192 <h2·class="memtitle"><span·class="permalink"><a·href="#adf998c802bb4fc5332a6665e535e96a9">&#9670;&nbsp;</a></span>VDW</h2>192 <h2·class="memtitle"><span·class="permalink"><a·href="#adf998c802bb4fc5332a6665e535e96a9">&#9670;&nbsp;</a></span>VDW</h2>
  
193 <div·class="memitem">193 <div·class="memitem">
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206 ··</td>206 ··</td>
207 ··<td·class="mlabels-right">207 ··<td·class="mlabels-right">
208 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>208 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
209 ··</tr>209 ··</tr>
210 </table>210 </table>
211 </div><div·class="memdoc">211 </div><div·class="memdoc">
  
212 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00308_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../d5/d0f/a00308_source.html">slickScore.h</a>.</p>212 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
  
213 </div>213 </div>
214 </div>214 </div>
215 </div><!--·contents·-->215 </div><!--·contents·-->
216 <!--·start·footer·part·-->216 <!--·start·footer·part·-->
217 <hr·class="footer"/><address·class="footer"><small>217 <hr·class="footer"/><address·class="footer"><small>
218 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4218 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d4/d03/a04711.html">List·of·all·members</a>··</div>71 <a·href="../../d4/d03/a04711.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::SingleBondsPredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SingleBondsPredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::SingleBondsPredicate:</div>77 Inheritance·diagram·for·BALL::SingleBondsPredicate:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d1/d13/a04714.png"·usemap="#BALL::SingleBondsPredicate_map"·alt=""/>80 ··<img·src="../../d1/d13/a04714.png"·usemap="#BALL::SingleBondsPredicate_map"·alt=""/>
81 ··<map·id="BALL::SingleBondsPredicate_map"·name="BALL::SingleBondsPredicate_map">81 ··<map·id="BALL::SingleBondsPredicate_map"·name="BALL::SingleBondsPredicate_map">
82 <area·href="../../d0/d51/a04710.html"·alt="BALL::NumberOfBondsPredicate"·shape="rect"·coords="0,168,204,192"/>82 <area·href="../../d0/d51/a04710.html"·alt="BALL::NumberOfBondsPredicate"·shape="rect"·coords="0,168,204,192"/>
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127 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>127 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
128 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>128 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
129 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>129 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
130 </table>130 </table>
131 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>131 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
132 <div·class="textblock"><p·>Predicate·class·for·atoms·bearing·single·bonds.·Arguments·of·this·class·are·<b>·required·</b>·to·consist·of·an·relational·operator·and·a·number·between·1·and·8.·</p>132 <div·class="textblock"><p·>Predicate·class·for·atoms·bearing·single·bonds.·Arguments·of·this·class·are·<b>·required·</b>·to·consist·of·an·relational·operator·and·a·number·between·1·and·8.·</p>
  
133 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00378">378</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>133 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00378">378</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
134 </div><h2·class="groupheader">Member·Function·Documentation</h2>134 </div><h2·class="groupheader">Member·Function·Documentation</h2>
135 <a·id="ab24d123720aacfd08b37947b3bc6691a"·name="ab24d123720aacfd08b37947b3bc6691a"></a>135 <a·id="ab24d123720aacfd08b37947b3bc6691a"·name="ab24d123720aacfd08b37947b3bc6691a"></a>
136 <h2·class="memtitle"><span·class="permalink"><a·href="#ab24d123720aacfd08b37947b3bc6691a">&#9670;&nbsp;</a></span>operator()()</h2>136 <h2·class="memtitle"><span·class="permalink"><a·href="#ab24d123720aacfd08b37947b3bc6691a">&#9670;&nbsp;</a></span>operator()()</h2>
  
137 <div·class="memitem">137 <div·class="memitem">
138 <div·class="memproto">138 <div·class="memproto">
139 <table·class="mlabels">139 <table·class="mlabels">
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72 <a·href="#pro-slots">Protected·Slots</a>·&#124;72 <a·href="#pro-slots">Protected·Slots</a>·&#124;
73 <a·href="#friends">Friends</a>·&#124;73 <a·href="#friends">Friends</a>·&#124;
74 <a·href="../../db/d40/a07519.html">List·of·all·members</a>··</div>74 <a·href="../../db/d40/a07519.html">List·of·all·members</a>··</div>
75 ··<div·class="headertitle"><div·class="title">BALL::VIEW::AssignBondOrderConfigurationDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>75 ··<div·class="headertitle"><div·class="title">BALL::VIEW::AssignBondOrderConfigurationDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
76 </div><!--header-->76 </div><!--header-->
77 <div·class="contents">77 <div·class="contents">
  
78 <p><code>#include·&lt;<a·class="el"·href="../../d5/da7/a01283_source.html">BALL/VIEW/DIALOGS/assignBondOrderConfigurationDialog.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../dd/d39/a01271_source.html">BALL/VIEW/DIALOGS/assignBondOrderConfigurationDialog.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
80 Inheritance·diagram·for·BALL::VIEW::AssignBondOrderConfigurationDialog:</div>80 Inheritance·diagram·for·BALL::VIEW::AssignBondOrderConfigurationDialog:</div>
81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../d1/d15/a07522.png"·usemap="#BALL::VIEW::AssignBondOrderConfigurationDialog_map"·alt=""/>83 ··<img·src="../../d1/d15/a07522.png"·usemap="#BALL::VIEW::AssignBondOrderConfigurationDialog_map"·alt=""/>
84 ··<map·id="BALL::VIEW::AssignBondOrderConfigurationDialog_map"·name="BALL::VIEW::AssignBondOrderConfigurationDialog_map">84 ··<map·id="BALL::VIEW::AssignBondOrderConfigurationDialog_map"·name="BALL::VIEW::AssignBondOrderConfigurationDialog_map">
85 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,56,299,80"/>85 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,56,299,80"/>
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345 <tr·class="separator:afcd01733c038e845ad6fb5e284e89238·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>345 <tr·class="separator:afcd01733c038e845ad6fb5e284e89238·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
346 <tr·class="memitem:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d3d/a07926.html#a257b5f0e49b1f24294c315d4d7363693">StackPages</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ab7942bdf4c88f10d41eec3aa452bbed5">stack_pages_</a></td></tr>346 <tr·class="memitem:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d3d/a07926.html#a257b5f0e49b1f24294c315d4d7363693">StackPages</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ab7942bdf4c88f10d41eec3aa452bbed5">stack_pages_</a></td></tr>
347 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>347 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
348 </table>348 </table>
349 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>349 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
350 <div·class="textblock"><p·>Dialog·for·changing·the·options·of·the·assignBondOrderProcessor·</p>350 <div·class="textblock"><p·>Dialog·for·changing·the·options·of·the·assignBondOrderProcessor·</p>
  
351 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da7/a01283_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d5/da7/a01283_source.html">assignBondOrderConfigurationDialog.h</a>.</p>351 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d39/a01271_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../dd/d39/a01271_source.html">assignBondOrderConfigurationDialog.h</a>.</p>
352 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>352 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
353 <a·id="aaee2b35b5ea5d64ce1612ebf16c2e835"·name="aaee2b35b5ea5d64ce1612ebf16c2e835"></a>353 <a·id="aaee2b35b5ea5d64ce1612ebf16c2e835"·name="aaee2b35b5ea5d64ce1612ebf16c2e835"></a>
354 <h2·class="memtitle"><span·class="permalink"><a·href="#aaee2b35b5ea5d64ce1612ebf16c2e835">&#9670;&nbsp;</a></span>AssignBondOrderConfigurationDialog()</h2>354 <h2·class="memtitle"><span·class="permalink"><a·href="#aaee2b35b5ea5d64ce1612ebf16c2e835">&#9670;&nbsp;</a></span>AssignBondOrderConfigurationDialog()</h2>
  
355 <div·class="memitem">355 <div·class="memitem">
356 <div·class="memproto">356 <div·class="memproto">
357 ······<table·class="memname">357 ······<table·class="memname">
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662 ··</td>662 ··</td>
663 ··<td·class="mlabels-right">663 ··<td·class="mlabels-right">
664 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>664 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
665 ··</tr>665 ··</tr>
666 </table>666 </table>
667 </div><div·class="memdoc">667 </div><div·class="memdoc">
  
668 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da7/a01283_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d5/da7/a01283_source.html">assignBondOrderConfigurationDialog.h</a>.</p>668 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d39/a01271_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../dd/d39/a01271_source.html">assignBondOrderConfigurationDialog.h</a>.</p>
  
669 </div>669 </div>
670 </div>670 </div>
671 </div><!--·contents·-->671 </div><!--·contents·-->
672 <!--·start·footer·part·-->672 <!--·start·footer·part·-->
673 <hr·class="footer"/><address·class="footer"><small>673 <hr·class="footer"/><address·class="footer"><small>
674 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4674 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../dd/da8/a03523.html">List·of·all·members</a>··</div>71 <a·href="../../dd/da8/a03523.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·BALL::Quadruple&lt;·T1,·T2,·T3,·T4·&gt;·&gt;·Struct·Template·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·BALL::Quadruple&lt;·T1,·T2,·T3,·T4·&gt;·&gt;·Struct·Template·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d36/a01916_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:aac6235a081fceb80148af557221f0b97"><td·class="memItemLeft"·align="right"·valign="top">size_t&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d19/a03526.html#aac6235a081fceb80148af557221f0b97">operator()</a>·(const·<a·class="el"·href="../../d5/d60/a03562.html">BALL::Quadruple</a>&lt;·T1,·T2,·T3,·T4·&gt;·&amp;s)·const</td></tr>79 <tr·class="memitem:aac6235a081fceb80148af557221f0b97"><td·class="memItemLeft"·align="right"·valign="top">size_t&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d19/a03526.html#aac6235a081fceb80148af557221f0b97">operator()</a>·(const·<a·class="el"·href="../../d5/d60/a03562.html">BALL::Quadruple</a>&lt;·T1,·T2,·T3,·T4·&gt;·&amp;s)·const</td></tr>
80 <tr·class="separator:aac6235a081fceb80148af557221f0b97"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:aac6235a081fceb80148af557221f0b97"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 </table>81 </table>
82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T1,·typename·T2,·typename·T3,·typename·T4&gt;<br·/>83 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T1,·typename·T2,·typename·T3,·typename·T4&gt;<br·/>
84 struct·boost::hash&lt;·BALL::Quadruple&lt;·T1,·T2,·T3,·T4·&gt;·&gt;</div>84 struct·boost::hash&lt;·BALL::Quadruple&lt;·T1,·T2,·T3,·T4·&gt;·&gt;</div>
85 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d36/a01916_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d0/d36/a01916_source.html">hashMap.h</a>.</p>85 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d5b/a00695_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d5/d5b/a00695_source.html">hashMap.h</a>.</p>
86 </div><h2·class="groupheader">Member·Function·Documentation</h2>86 </div><h2·class="groupheader">Member·Function·Documentation</h2>
87 <a·id="aac6235a081fceb80148af557221f0b97"·name="aac6235a081fceb80148af557221f0b97"></a>87 <a·id="aac6235a081fceb80148af557221f0b97"·name="aac6235a081fceb80148af557221f0b97"></a>
88 <h2·class="memtitle"><span·class="permalink"><a·href="#aac6235a081fceb80148af557221f0b97">&#9670;&nbsp;</a></span>operator()()</h2>88 <h2·class="memtitle"><span·class="permalink"><a·href="#aac6235a081fceb80148af557221f0b97">&#9670;&nbsp;</a></span>operator()()</h2>
  
89 <div·class="memitem">89 <div·class="memitem">
90 <div·class="memproto">90 <div·class="memproto">
91 <div·class="memtemplate">91 <div·class="memtemplate">
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107 ··</td>107 ··</td>
108 ··<td·class="mlabels-right">108 ··<td·class="mlabels-right">
109 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>109 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
110 ··</tr>110 ··</tr>
111 </table>111 </table>
112 </div><div·class="memdoc">112 </div><div·class="memdoc">
  
113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d36/a01916_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d0/d36/a01916_source.html">hashMap.h</a>.</p>113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d5b/a00695_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d5/d5b/a00695_source.html">hashMap.h</a>.</p>
  
114 </div>114 </div>
115 </div>115 </div>
116 </div><!--·contents·-->116 </div><!--·contents·-->
117 <!--·start·footer·part·-->117 <!--·start·footer·part·-->
118 <hr·class="footer"/><address·class="footer"><small>118 <hr·class="footer"/><address·class="footer"><small>
119 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4119 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../dd/d54/a06323.html">List·of·all·members</a>··</div>72 <a·href="../../dd/d54/a06323.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::PB·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::PB·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d7/d40/a00236_source.html">BALL/SCORING/COMPONENTS/PB.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d2/d31/a02087_source.html">BALL/SCORING/COMPONENTS/PB.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::PB:</div>78 Inheritance·diagram·for·BALL::PB:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d1/d1b/a06326.png"·usemap="#BALL::PB_map"·alt=""/>81 ··<img·src="../../d1/d1b/a06326.png"·usemap="#BALL::PB_map"·alt=""/>
82 ··<map·id="BALL::PB_map"·name="BALL::PB_map">82 ··<map·id="BALL::PB_map"·name="BALL::PB_map">
83 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>83 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
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194 <tr·class="inherit_header·pro_methods_a06162"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06162')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>194 <tr·class="inherit_header·pro_methods_a06162"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06162')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>
195 <tr·class="memitem:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#af0e53f17f9760bf500c2dbcf15d7fa3e">scaleScore</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·score)·const</td></tr>195 <tr·class="memitem:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#af0e53f17f9760bf500c2dbcf15d7fa3e">scaleScore</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·score)·const</td></tr>
196 <tr·class="separator:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>196 <tr·class="separator:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
197 </table>197 </table>
198 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>198 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
199 <div·class="textblock"><p·>Poisson-Boltzmann·scoring·term·</p>199 <div·class="textblock"><p·>Poisson-Boltzmann·scoring·term·</p>
  
200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d40/a00236_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d7/d40/a00236_source.html">PB.h</a>.</p>200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a02087_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d2/d31/a02087_source.html">PB.h</a>.</p>
201 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>201 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
202 <a·id="abd9bd6fb418378c3ca0438c68780e499"·name="abd9bd6fb418378c3ca0438c68780e499"></a>202 <a·id="abd9bd6fb418378c3ca0438c68780e499"·name="abd9bd6fb418378c3ca0438c68780e499"></a>
203 <h2·class="memtitle"><span·class="permalink"><a·href="#abd9bd6fb418378c3ca0438c68780e499">&#9670;&nbsp;</a></span>PB()</h2>203 <h2·class="memtitle"><span·class="permalink"><a·href="#abd9bd6fb418378c3ca0438c68780e499">&#9670;&nbsp;</a></span>PB()</h2>
  
204 <div·class="memitem">204 <div·class="memitem">
205 <div·class="memproto">205 <div·class="memproto">
206 ······<table·class="memname">206 ······<table·class="memname">
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341 ··</td>341 ··</td>
342 ··<td·class="mlabels-right">342 ··<td·class="mlabels-right">
343 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>343 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
344 ··</tr>344 ··</tr>
345 </table>345 </table>
346 </div><div·class="memdoc">346 </div><div·class="memdoc">
  
347 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d40/a00236_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d7/d40/a00236_source.html">PB.h</a>.</p>347 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a02087_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d2/d31/a02087_source.html">PB.h</a>.</p>
  
348 </div>348 </div>
349 </div>349 </div>
350 <a·id="acf59df32f94a7da8fb49c5a0ed945458"·name="acf59df32f94a7da8fb49c5a0ed945458"></a>350 <a·id="acf59df32f94a7da8fb49c5a0ed945458"·name="acf59df32f94a7da8fb49c5a0ed945458"></a>
351 <h2·class="memtitle"><span·class="permalink"><a·href="#acf59df32f94a7da8fb49c5a0ed945458">&#9670;&nbsp;</a></span>ligand_atoms_</h2>351 <h2·class="memtitle"><span·class="permalink"><a·href="#acf59df32f94a7da8fb49c5a0ed945458">&#9670;&nbsp;</a></span>ligand_atoms_</h2>
  
352 <div·class="memitem">352 <div·class="memitem">
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365 ··</td>365 ··</td>
366 ··<td·class="mlabels-right">366 ··<td·class="mlabels-right">
367 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>367 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
368 ··</tr>368 ··</tr>
369 </table>369 </table>
370 </div><div·class="memdoc">370 </div><div·class="memdoc">
  
371 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d40/a00236_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d7/d40/a00236_source.html">PB.h</a>.</p>371 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a02087_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d2/d31/a02087_source.html">PB.h</a>.</p>
  
372 </div>372 </div>
373 </div>373 </div>
374 <a·id="a68f805620a570a5f8c06593b3538f5cd"·name="a68f805620a570a5f8c06593b3538f5cd"></a>374 <a·id="a68f805620a570a5f8c06593b3538f5cd"·name="a68f805620a570a5f8c06593b3538f5cd"></a>
375 <h2·class="memtitle"><span·class="permalink"><a·href="#a68f805620a570a5f8c06593b3538f5cd">&#9670;&nbsp;</a></span>pb_solver_</h2>375 <h2·class="memtitle"><span·class="permalink"><a·href="#a68f805620a570a5f8c06593b3538f5cd">&#9670;&nbsp;</a></span>pb_solver_</h2>
  
376 <div·class="memitem">376 <div·class="memitem">
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389 ··</td>389 ··</td>
390 ··<td·class="mlabels-right">390 ··<td·class="mlabels-right">
391 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>391 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
392 ··</tr>392 ··</tr>
393 </table>393 </table>
394 </div><div·class="memdoc">394 </div><div·class="memdoc">
  
395 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d40/a00236_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d7/d40/a00236_source.html">PB.h</a>.</p>395 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a02087_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d2/d31/a02087_source.html">PB.h</a>.</p>
  
396 </div>396 </div>
397 </div>397 </div>
398 <a·id="ad48ada1770a5cf0162971cb9896221a8"·name="ad48ada1770a5cf0162971cb9896221a8"></a>398 <a·id="ad48ada1770a5cf0162971cb9896221a8"·name="ad48ada1770a5cf0162971cb9896221a8"></a>
399 <h2·class="memtitle"><span·class="permalink"><a·href="#ad48ada1770a5cf0162971cb9896221a8">&#9670;&nbsp;</a></span>receptor_atoms_</h2>399 <h2·class="memtitle"><span·class="permalink"><a·href="#ad48ada1770a5cf0162971cb9896221a8">&#9670;&nbsp;</a></span>receptor_atoms_</h2>
  
400 <div·class="memitem">400 <div·class="memitem">
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413 ··</td>413 ··</td>
414 ··<td·class="mlabels-right">414 ··<td·class="mlabels-right">
415 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>415 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
416 ··</tr>416 ··</tr>
417 </table>417 </table>
418 </div><div·class="memdoc">418 </div><div·class="memdoc">
  
419 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d40/a00236_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d7/d40/a00236_source.html">PB.h</a>.</p>419 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a02087_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d2/d31/a02087_source.html">PB.h</a>.</p>
  
420 </div>420 </div>
421 </div>421 </div>
422 </div><!--·contents·-->422 </div><!--·contents·-->
423 <!--·start·footer·part·-->423 <!--·start·footer·part·-->
424 <hr·class="footer"/><address·class="footer"><small>424 <hr·class="footer"/><address·class="footer"><small>
425 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4425 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../df/d46/a07375.html">List·of·all·members</a>··</div>71 <a·href="../../df/d46/a07375.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::TReadWriteLock&lt;·ReadWriteLockType·&gt;·Class·Template·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TReadWriteLock&lt;·ReadWriteLockType·&gt;·Class·Template·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../de/db5/a01730_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::TReadWriteLock&lt;·ReadWriteLockType·&gt;:</div>77 Inheritance·diagram·for·BALL::TReadWriteLock&lt;·ReadWriteLockType·&gt;:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d1/d1e/a07378.png"·usemap="#BALL::TReadWriteLock_3C_20ReadWriteLockType_20_3E_map"·alt=""/>80 ··<img·src="../../d1/d1e/a07378.png"·usemap="#BALL::TReadWriteLock_3C_20ReadWriteLockType_20_3E_map"·alt=""/>
81 ··<map·id="BALL::TReadWriteLock_3C_20ReadWriteLockType_20_3E_map"·name="BALL::TReadWriteLock_3C_20ReadWriteLockType_20_3E_map">81 ··<map·id="BALL::TReadWriteLock_3C_20ReadWriteLockType_20_3E_map"·name="BALL::TReadWriteLock_3C_20ReadWriteLockType_20_3E_map">
82 <area·href="../../d2/db3/a20030.html"·alt="ReadWriteLockType"·shape="rect"·coords="0,0,278,24"/>82 <area·href="../../d2/db3/a20030.html"·alt="ReadWriteLockType"·shape="rect"·coords="0,0,278,24"/>
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90 <tr·class="separator:a0a9d39a6334517ea375927a34ac4d981"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a0a9d39a6334517ea375927a34ac4d981"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table>91 </table>
92 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>92 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
93 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·<a·class="el"·href="../../d2/db3/a20030.html">ReadWriteLockType</a>&gt;<br·/>93 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·<a·class="el"·href="../../d2/db3/a20030.html">ReadWriteLockType</a>&gt;<br·/>
94 class·BALL::TReadWriteLock&lt;·ReadWriteLockType·&gt;</div><p·>This·class·provides·a·very·thin·wrapper·around·different·read-write·mutex·types.·As·default,·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·supports·QReadWriteLock,·but·if·it·has·been·configured·with·boost::thread·support·enabled,·boost::mutex·can·also·be·used.·Similarly,·we·can·simply·provide·instantiations·using,·e.g,·Intel·thread·building·blocks.</p>94 class·BALL::TReadWriteLock&lt;·ReadWriteLockType·&gt;</div><p·>This·class·provides·a·very·thin·wrapper·around·different·read-write·mutex·types.·As·default,·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·supports·QReadWriteLock,·but·if·it·has·been·configured·with·boost::thread·support·enabled,·boost::mutex·can·also·be·used.·Similarly,·we·can·simply·provide·instantiations·using,·e.g,·Intel·thread·building·blocks.</p>
95 <p·>A·BALL-mutex·needs·to·provide·the·functions·void·lockForRead(),·void·lockForWrite(),·void·unlock(),·bool·tryLockForRead(),·and·bool·tryLockForWrite().·</p>95 <p·>A·BALL-mutex·needs·to·provide·the·functions·void·lockForRead(),·void·lockForWrite(),·void·unlock(),·bool·tryLockForRead(),·and·bool·tryLockForWrite().·</p>
  
96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00090">90</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">mutex.h</a>.</p>96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00090">90</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
97 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>97 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
98 <a·id="a0a9d39a6334517ea375927a34ac4d981"·name="a0a9d39a6334517ea375927a34ac4d981"></a>98 <a·id="a0a9d39a6334517ea375927a34ac4d981"·name="a0a9d39a6334517ea375927a34ac4d981"></a>
99 <h2·class="memtitle"><span·class="permalink"><a·href="#a0a9d39a6334517ea375927a34ac4d981">&#9670;&nbsp;</a></span>TReadWriteLock()</h2>99 <h2·class="memtitle"><span·class="permalink"><a·href="#a0a9d39a6334517ea375927a34ac4d981">&#9670;&nbsp;</a></span>TReadWriteLock()</h2>
  
100 <div·class="memitem">100 <div·class="memitem">
101 <div·class="memproto">101 <div·class="memproto">
102 <div·class="memtemplate">102 <div·class="memtemplate">
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118 ··</td>118 ··</td>
119 ··<td·class="mlabels-right">119 ··<td·class="mlabels-right">
120 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>120 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
121 ··</tr>121 ··</tr>
122 </table>122 </table>
123 </div><div·class="memdoc">123 </div><div·class="memdoc">
  
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126 </div>126 </div>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#friends">Friends</a>·&#124;70 <a·href="#friends">Friends</a>·&#124;
71 <a·href="../../d6/d32/a05075.html">List·of·all·members</a>··</div>71 <a·href="../../d6/d32/a05075.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ForceFieldComponent·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d03/a02172.html">General·Force·Field·Classes.</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ForceFieldComponent·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d03/a02172.html">General·Force·Field·Classes.</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dc/d17/a00872_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../db/dab/a00089_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::ForceFieldComponent:</div>77 Inheritance·diagram·for·BALL::ForceFieldComponent:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d1/d1f/a05078.png"·usemap="#BALL::ForceFieldComponent_map"·alt=""/>80 ··<img·src="../../d1/d1f/a05078.png"·usemap="#BALL::ForceFieldComponent_map"·alt=""/>
81 ··<map·id="BALL::ForceFieldComponent_map"·name="BALL::ForceFieldComponent_map">81 ··<map·id="BALL::ForceFieldComponent_map"·name="BALL::ForceFieldComponent_map">
82 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,196,24"/>82 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,196,24"/>
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231 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>231 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
232 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>232 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
233 </table>233 </table>
234 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>234 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
235 <div·class="textblock"><p·>Generic·force·field·component·class.·</p>235 <div·class="textblock"><p·>Generic·force·field·component·class.·</p>
  
236 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d17/a00872_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../dc/d17/a00872_source.html">forceFieldComponent.h</a>.</p>236 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dab/a00089_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../db/dab/a00089_source.html">forceFieldComponent.h</a>.</p>
237 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>237 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
238 <a·id="a9df594b0498b8f6b4189aaf3e6c8da01"·name="a9df594b0498b8f6b4189aaf3e6c8da01"></a>238 <a·id="a9df594b0498b8f6b4189aaf3e6c8da01"·name="a9df594b0498b8f6b4189aaf3e6c8da01"></a>
239 <h2·class="memtitle"><span·class="permalink"><a·href="#a9df594b0498b8f6b4189aaf3e6c8da01">&#9670;&nbsp;</a></span>ForceFieldComponent()·<span·class="overload">[1/3]</span></h2>239 <h2·class="memtitle"><span·class="permalink"><a·href="#a9df594b0498b8f6b4189aaf3e6c8da01">&#9670;&nbsp;</a></span>ForceFieldComponent()·<span·class="overload">[1/3]</span></h2>
  
240 <div·class="memitem">240 <div·class="memitem">
241 <div·class="memproto">241 <div·class="memproto">
242 ······<table·class="memname">242 ······<table·class="memname">
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400 ··</td>400 ··</td>
401 ··<td·class="mlabels-right">401 ··<td·class="mlabels-right">
402 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>402 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
403 ··</tr>403 ··</tr>
404 </table>404 </table>
405 </div><div·class="memdoc">405 </div><div·class="memdoc">
  
406 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d17/a00872_source.html#l00100">100</a>·of·file·<a·class="el"·href="../../dc/d17/a00872_source.html">forceFieldComponent.h</a>.</p>406 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dab/a00089_source.html#l00100">100</a>·of·file·<a·class="el"·href="../../db/dab/a00089_source.html">forceFieldComponent.h</a>.</p>
  
407 </div>407 </div>
408 </div>408 </div>
409 <a·id="ae6c6e358c07cf46fbeff007882e4ce53"·name="ae6c6e358c07cf46fbeff007882e4ce53"></a>409 <a·id="ae6c6e358c07cf46fbeff007882e4ce53"·name="ae6c6e358c07cf46fbeff007882e4ce53"></a>
410 <h2·class="memtitle"><span·class="permalink"><a·href="#ae6c6e358c07cf46fbeff007882e4ce53">&#9670;&nbsp;</a></span>setEnabled()</h2>410 <h2·class="memtitle"><span·class="permalink"><a·href="#ae6c6e358c07cf46fbeff007882e4ce53">&#9670;&nbsp;</a></span>setEnabled()</h2>
  
411 <div·class="memitem">411 <div·class="memitem">
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428 ··</td>428 ··</td>
429 ··<td·class="mlabels-right">429 ··<td·class="mlabels-right">
430 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>430 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
431 ··</tr>431 ··</tr>
432 </table>432 </table>
433 </div><div·class="memdoc">433 </div><div·class="memdoc">
  
434 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d17/a00872_source.html#l00103">103</a>·of·file·<a·class="el"·href="../../dc/d17/a00872_source.html">forceFieldComponent.h</a>.</p>434 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dab/a00089_source.html#l00103">103</a>·of·file·<a·class="el"·href="../../db/dab/a00089_source.html">forceFieldComponent.h</a>.</p>
  
435 </div>435 </div>
436 </div>436 </div>
437 <a·id="a6ad953b14cafbe4a086bb0baf8191ebf"·name="a6ad953b14cafbe4a086bb0baf8191ebf"></a>437 <a·id="a6ad953b14cafbe4a086bb0baf8191ebf"·name="a6ad953b14cafbe4a086bb0baf8191ebf"></a>
438 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ad953b14cafbe4a086bb0baf8191ebf">&#9670;&nbsp;</a></span>setForceField()</h2>438 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ad953b14cafbe4a086bb0baf8191ebf">&#9670;&nbsp;</a></span>setForceField()</h2>
  
439 <div·class="memitem">439 <div·class="memitem">
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638 ··</td>638 ··</td>
639 ··<td·class="mlabels-right">639 ··<td·class="mlabels-right">
640 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>640 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
641 ··</tr>641 ··</tr>
642 </table>642 </table>
643 </div><div·class="memdoc">643 </div><div·class="memdoc">
  
644 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d17/a00872_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../dc/d17/a00872_source.html">forceFieldComponent.h</a>.</p>644 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dab/a00089_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../db/dab/a00089_source.html">forceFieldComponent.h</a>.</p>
  
645 </div>645 </div>
646 </div>646 </div>
647 <h2·class="groupheader">Member·Data·Documentation</h2>647 <h2·class="groupheader">Member·Data·Documentation</h2>
648 <a·id="a3f948ec9c7ba02b683600db38c3f952d"·name="a3f948ec9c7ba02b683600db38c3f952d"></a>648 <a·id="a3f948ec9c7ba02b683600db38c3f952d"·name="a3f948ec9c7ba02b683600db38c3f952d"></a>
649 <h2·class="memtitle"><span·class="permalink"><a·href="#a3f948ec9c7ba02b683600db38c3f952d">&#9670;&nbsp;</a></span>energy_</h2>649 <h2·class="memtitle"><span·class="permalink"><a·href="#a3f948ec9c7ba02b683600db38c3f952d">&#9670;&nbsp;</a></span>energy_</h2>
  
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663 ··</td>663 ··</td>
664 ··<td·class="mlabels-right">664 ··<td·class="mlabels-right">
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666 ··</tr>666 ··</tr>
667 </table>667 </table>
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669 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d17/a00872_source.html#l00156">156</a>·of·file·<a·class="el"·href="../../dc/d17/a00872_source.html">forceFieldComponent.h</a>.</p>669 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dab/a00089_source.html#l00156">156</a>·of·file·<a·class="el"·href="../../db/dab/a00089_source.html">forceFieldComponent.h</a>.</p>
  
670 </div>670 </div>
671 </div>671 </div>
672 <a·id="a01ca976e7a856d2ab99c9bb8b629d2cb"·name="a01ca976e7a856d2ab99c9bb8b629d2cb"></a>672 <a·id="a01ca976e7a856d2ab99c9bb8b629d2cb"·name="a01ca976e7a856d2ab99c9bb8b629d2cb"></a>
673 <h2·class="memtitle"><span·class="permalink"><a·href="#a01ca976e7a856d2ab99c9bb8b629d2cb">&#9670;&nbsp;</a></span>force_field_</h2>673 <h2·class="memtitle"><span·class="permalink"><a·href="#a01ca976e7a856d2ab99c9bb8b629d2cb">&#9670;&nbsp;</a></span>force_field_</h2>
  
674 <div·class="memitem">674 <div·class="memitem">
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687 ··</td>687 ··</td>
688 ··<td·class="mlabels-right">688 ··<td·class="mlabels-right">
689 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>689 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
690 ··</tr>690 ··</tr>
691 </table>691 </table>
692 </div><div·class="memdoc">692 </div><div·class="memdoc">
  
693 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d17/a00872_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../dc/d17/a00872_source.html">forceFieldComponent.h</a>.</p>693 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dab/a00089_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../db/dab/a00089_source.html">forceFieldComponent.h</a>.</p>
  
694 </div>694 </div>
695 </div>695 </div>
696 </div><!--·contents·-->696 </div><!--·contents·-->
697 <!--·start·footer·part·-->697 <!--·start·footer·part·-->
698 <hr·class="footer"/><address·class="footer"><small>698 <hr·class="footer"/><address·class="footer"><small>
699 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4699 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 <a·href="#pro-slots">Protected·Slots</a>·&#124;72 <a·href="#pro-slots">Protected·Slots</a>·&#124;
73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
74 <a·href="../../de/dae/a07695.html">List·of·all·members</a>··</div>74 <a·href="../../de/dae/a07695.html">List·of·all·members</a>··</div>
75 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PTEDialog·Class·Reference</div></div>75 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PTEDialog·Class·Reference</div></div>
76 </div><!--header-->76 </div><!--header-->
77 <div·class="contents">77 <div·class="contents">
  
78 <p><code>#include·&lt;<a·class="el"·href="../../dd/d5d/a01325_source.html">BALL/VIEW/DIALOGS/PTEDialog.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../dd/d42/a01259_source.html">BALL/VIEW/DIALOGS/PTEDialog.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
80 Inheritance·diagram·for·BALL::VIEW::PTEDialog:</div>80 Inheritance·diagram·for·BALL::VIEW::PTEDialog:</div>
81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../d1/d20/a07698.png"·usemap="#BALL::VIEW::PTEDialog_map"·alt=""/>83 ··<img·src="../../d1/d20/a07698.png"·usemap="#BALL::VIEW::PTEDialog_map"·alt=""/>
84 ··<map·id="BALL::VIEW::PTEDialog_map"·name="BALL::VIEW::PTEDialog_map">84 ··<map·id="BALL::VIEW::PTEDialog_map"·name="BALL::VIEW::PTEDialog_map">
85 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,145,24"/>85 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,145,24"/>
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112 <tr·class="separator:ad89480a8a2cfe6f81ff6f30a61e927c4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>112 <tr·class="separator:ad89480a8a2cfe6f81ff6f30a61e927c4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
113 <tr·class="memitem:aae234f3fbc9a68418ca27364b9710226"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d20/a07698.html#aae234f3fbc9a68418ca27364b9710226">connectChilds_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*o)</td></tr>113 <tr·class="memitem:aae234f3fbc9a68418ca27364b9710226"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d20/a07698.html#aae234f3fbc9a68418ca27364b9710226">connectChilds_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*o)</td></tr>
114 <tr·class="separator:aae234f3fbc9a68418ca27364b9710226"><td·class="memSeparator"·colspan="2">&#160;</td></tr>114 <tr·class="separator:aae234f3fbc9a68418ca27364b9710226"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
115 </table>115 </table>
116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
117 <div·class="textblock"><p·>Dialog·for·choosing·the·element·type·for·the·edit·mode·of·scene.·\ingroups·ViewDialogs·</p>117 <div·class="textblock"><p·>Dialog·for·choosing·the·element·type·for·the·edit·mode·of·scene.·\ingroups·ViewDialogs·</p>
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5d/a01325_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../dd/d5d/a01325_source.html">PTEDialog.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d42/a01259_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../dd/d42/a01259_source.html">PTEDialog.h</a>.</p>
119 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>119 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
120 <a·id="aea97d67c7b11c3e0c340e92f72300770"·name="aea97d67c7b11c3e0c340e92f72300770"></a>120 <a·id="aea97d67c7b11c3e0c340e92f72300770"·name="aea97d67c7b11c3e0c340e92f72300770"></a>
121 <h2·class="memtitle"><span·class="permalink"><a·href="#aea97d67c7b11c3e0c340e92f72300770">&#9670;&nbsp;</a></span>PTEDialog()</h2>121 <h2·class="memtitle"><span·class="permalink"><a·href="#aea97d67c7b11c3e0c340e92f72300770">&#9670;&nbsp;</a></span>PTEDialog()</h2>
  
122 <div·class="memitem">122 <div·class="memitem">
123 <div·class="memproto">123 <div·class="memproto">
124 ······<table·class="memname">124 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d1/d0f/a05543.html">List·of·all·members</a>··</div>71 <a·href="../../d1/d0f/a05543.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::BALLPlugin·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::BALLPlugin·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dd/d08/a01682_source.html">BALL/PLUGIN/BALLPlugin.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dc/df2/a00656_source.html">BALL/PLUGIN/BALLPlugin.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:afe85325e0556d70843ca2264f6c14507"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d22/a05546.html#afe85325e0556d70843ca2264f6c14507">~BALLPlugin</a>·()</td></tr>79 <tr·class="memitem:afe85325e0556d70843ca2264f6c14507"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d22/a05546.html#afe85325e0556d70843ca2264f6c14507">~BALLPlugin</a>·()</td></tr>
80 <tr·class="separator:afe85325e0556d70843ca2264f6c14507"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:afe85325e0556d70843ca2264f6c14507"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:aa66c0dc6ea379f7a9b779c2a6f49d971"><td·class="memItemLeft"·align="right"·valign="top">virtual·QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d22/a05546.html#aa66c0dc6ea379f7a9b779c2a6f49d971">getName</a>·()·const·=0</td></tr>81 <tr·class="memitem:aa66c0dc6ea379f7a9b779c2a6f49d971"><td·class="memItemLeft"·align="right"·valign="top">virtual·QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d22/a05546.html#aa66c0dc6ea379f7a9b779c2a6f49d971">getName</a>·()·const·=0</td></tr>
82 <tr·class="separator:aa66c0dc6ea379f7a9b779c2a6f49d971"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:aa66c0dc6ea379f7a9b779c2a6f49d971"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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88 <tr·class="memitem:a6323ba58da8c7f011c2de2bf94e02db4"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d22/a05546.html#a6323ba58da8c7f011c2de2bf94e02db4">activate</a>·()=0</td></tr>88 <tr·class="memitem:a6323ba58da8c7f011c2de2bf94e02db4"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d22/a05546.html#a6323ba58da8c7f011c2de2bf94e02db4">activate</a>·()=0</td></tr>
89 <tr·class="separator:a6323ba58da8c7f011c2de2bf94e02db4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a6323ba58da8c7f011c2de2bf94e02db4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a0ad4898078a7a2a1b369a27d708453e6"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d22/a05546.html#a0ad4898078a7a2a1b369a27d708453e6">deactivate</a>·()=0</td></tr>90 <tr·class="memitem:a0ad4898078a7a2a1b369a27d708453e6"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d22/a05546.html#a0ad4898078a7a2a1b369a27d708453e6">deactivate</a>·()=0</td></tr>
91 <tr·class="separator:a0ad4898078a7a2a1b369a27d708453e6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a0ad4898078a7a2a1b369a27d708453e6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">BALLPlugin.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df2/a00656_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../dc/df2/a00656_source.html">BALLPlugin.h</a>.</p>
96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
97 <a·id="afe85325e0556d70843ca2264f6c14507"·name="afe85325e0556d70843ca2264f6c14507"></a>97 <a·id="afe85325e0556d70843ca2264f6c14507"·name="afe85325e0556d70843ca2264f6c14507"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#afe85325e0556d70843ca2264f6c14507">&#9670;&nbsp;</a></span>~BALLPlugin()</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#afe85325e0556d70843ca2264f6c14507">&#9670;&nbsp;</a></span>~BALLPlugin()</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 <table·class="mlabels">101 <table·class="mlabels">
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113 ··</td>113 ··</td>
114 ··<td·class="mlabels-right">114 ··<td·class="mlabels-right">
115 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>115 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
116 ··</tr>116 ··</tr>
117 </table>117 </table>
118 </div><div·class="memdoc">118 </div><div·class="memdoc">
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">BALLPlugin.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df2/a00656_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../dc/df2/a00656_source.html">BALLPlugin.h</a>.</p>
  
120 </div>120 </div>
121 </div>121 </div>
122 <h2·class="groupheader">Member·Function·Documentation</h2>122 <h2·class="groupheader">Member·Function·Documentation</h2>
123 <a·id="a6323ba58da8c7f011c2de2bf94e02db4"·name="a6323ba58da8c7f011c2de2bf94e02db4"></a>123 <a·id="a6323ba58da8c7f011c2de2bf94e02db4"·name="a6323ba58da8c7f011c2de2bf94e02db4"></a>
124 <h2·class="memtitle"><span·class="permalink"><a·href="#a6323ba58da8c7f011c2de2bf94e02db4">&#9670;&nbsp;</a></span>activate()</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#a6323ba58da8c7f011c2de2bf94e02db4">&#9670;&nbsp;</a></span>activate()</h2>
  
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../d2/d5d/a04511.html">List·of·all·members</a>··</div>71 <a·href="../../d2/d5d/a04511.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ExpressionParser::State·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ExpressionParser::State·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dc/dc9/a00389_source.html">BALL/KERNEL/expressionParser.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/def/a00521_source.html">BALL/KERNEL/expressionParser.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:ac035609374d3c5e4198098523c048098"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d24/a04514.html#ac035609374d3c5e4198098523c048098">char_count</a></td></tr>79 <tr·class="memitem:ac035609374d3c5e4198098523c048098"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d24/a04514.html#ac035609374d3c5e4198098523c048098">char_count</a></td></tr>
80 <tr·class="separator:ac035609374d3c5e4198098523c048098"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:ac035609374d3c5e4198098523c048098"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a57f53dddd5a5fc62f7d299ff89ed64bc"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/d4c/a04506.html">ExpressionParser</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d24/a04514.html#a57f53dddd5a5fc62f7d299ff89ed64bc">current_parser</a></td></tr>81 <tr·class="memitem:a57f53dddd5a5fc62f7d299ff89ed64bc"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/d4c/a04506.html">ExpressionParser</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d24/a04514.html#a57f53dddd5a5fc62f7d299ff89ed64bc">current_parser</a></td></tr>
82 <tr·class="separator:a57f53dddd5a5fc62f7d299ff89ed64bc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a57f53dddd5a5fc62f7d299ff89ed64bc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a0905bc337cb8c6a14b006a46e574f5d1"><td·class="memItemLeft"·align="right"·valign="top">const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d24/a04514.html#a0905bc337cb8c6a14b006a46e574f5d1">buffer</a></td></tr>83 <tr·class="memitem:a0905bc337cb8c6a14b006a46e574f5d1"><td·class="memItemLeft"·align="right"·valign="top">const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d24/a04514.html#a0905bc337cb8c6a14b006a46e574f5d1">buffer</a></td></tr>
84 <tr·class="separator:a0905bc337cb8c6a14b006a46e574f5d1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a0905bc337cb8c6a14b006a46e574f5d1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 <tr·class="memitem:a157f1e46fd5ab0ff917ecc0feecf18d4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/dba/a04510.html">SyntaxTree</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d24/a04514.html#a157f1e46fd5ab0ff917ecc0feecf18d4">tree</a></td></tr>85 <tr·class="memitem:a157f1e46fd5ab0ff917ecc0feecf18d4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/dba/a04510.html">SyntaxTree</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d24/a04514.html#a157f1e46fd5ab0ff917ecc0feecf18d4">tree</a></td></tr>
86 <tr·class="separator:a157f1e46fd5ab0ff917ecc0feecf18d4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:a157f1e46fd5ab0ff917ecc0feecf18d4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table>87 </table>
88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
89 <div·class="textblock">89 <div·class="textblock">
90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dc9/a00389_source.html#l00172">172</a>·of·file·<a·class="el"·href="../../dc/dc9/a00389_source.html">expressionParser.h</a>.</p>90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a00521_source.html#l00172">172</a>·of·file·<a·class="el"·href="../../d7/def/a00521_source.html">expressionParser.h</a>.</p>
91 </div><h2·class="groupheader">Member·Data·Documentation</h2>91 </div><h2·class="groupheader">Member·Data·Documentation</h2>
92 <a·id="a0905bc337cb8c6a14b006a46e574f5d1"·name="a0905bc337cb8c6a14b006a46e574f5d1"></a>92 <a·id="a0905bc337cb8c6a14b006a46e574f5d1"·name="a0905bc337cb8c6a14b006a46e574f5d1"></a>
93 <h2·class="memtitle"><span·class="permalink"><a·href="#a0905bc337cb8c6a14b006a46e574f5d1">&#9670;&nbsp;</a></span>buffer</h2>93 <h2·class="memtitle"><span·class="permalink"><a·href="#a0905bc337cb8c6a14b006a46e574f5d1">&#9670;&nbsp;</a></span>buffer</h2>
  
94 <div·class="memitem">94 <div·class="memitem">
95 <div·class="memproto">95 <div·class="memproto">
96 ······<table·class="memname">96 ······<table·class="memname">
97 ········<tr>97 ········<tr>
98 ··········<td·class="memname">const·char*·BALL::ExpressionParser::State::buffer</td>98 ··········<td·class="memname">const·char*·BALL::ExpressionParser::State::buffer</td>
99 ········</tr>99 ········</tr>
100 ······</table>100 ······</table>
101 </div><div·class="memdoc">101 </div><div·class="memdoc">
  
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dc9/a00389_source.html#l00176">176</a>·of·file·<a·class="el"·href="../../dc/dc9/a00389_source.html">expressionParser.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a00521_source.html#l00176">176</a>·of·file·<a·class="el"·href="../../d7/def/a00521_source.html">expressionParser.h</a>.</p>
  
103 </div>103 </div>
104 </div>104 </div>
105 <a·id="ac035609374d3c5e4198098523c048098"·name="ac035609374d3c5e4198098523c048098"></a>105 <a·id="ac035609374d3c5e4198098523c048098"·name="ac035609374d3c5e4198098523c048098"></a>
106 <h2·class="memtitle"><span·class="permalink"><a·href="#ac035609374d3c5e4198098523c048098">&#9670;&nbsp;</a></span>char_count</h2>106 <h2·class="memtitle"><span·class="permalink"><a·href="#ac035609374d3c5e4198098523c048098">&#9670;&nbsp;</a></span>char_count</h2>
  
107 <div·class="memitem">107 <div·class="memitem">
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116 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·BALL::ExpressionParser::State::char_count</td>116 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·BALL::ExpressionParser::State::char_count</td>
117 ········</tr>117 ········</tr>
118 ······</table>118 ······</table>
119 </div><div·class="memdoc">119 </div><div·class="memdoc">
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dc9/a00389_source.html#l00174">174</a>·of·file·<a·class="el"·href="../../dc/dc9/a00389_source.html">expressionParser.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a00521_source.html#l00174">174</a>·of·file·<a·class="el"·href="../../d7/def/a00521_source.html">expressionParser.h</a>.</p>
  
121 </div>121 </div>
122 </div>122 </div>
123 <a·id="a57f53dddd5a5fc62f7d299ff89ed64bc"·name="a57f53dddd5a5fc62f7d299ff89ed64bc"></a>123 <a·id="a57f53dddd5a5fc62f7d299ff89ed64bc"·name="a57f53dddd5a5fc62f7d299ff89ed64bc"></a>
124 <h2·class="memtitle"><span·class="permalink"><a·href="#a57f53dddd5a5fc62f7d299ff89ed64bc">&#9670;&nbsp;</a></span>current_parser</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#a57f53dddd5a5fc62f7d299ff89ed64bc">&#9670;&nbsp;</a></span>current_parser</h2>
  
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132 ··········<td·class="memname"><a·class="el"·href="../../d8/d4c/a04506.html">ExpressionParser</a>*·BALL::ExpressionParser::State::current_parser</td>132 ··········<td·class="memname"><a·class="el"·href="../../d8/d4c/a04506.html">ExpressionParser</a>*·BALL::ExpressionParser::State::current_parser</td>
133 ········</tr>133 ········</tr>
134 ······</table>134 ······</table>
135 </div><div·class="memdoc">135 </div><div·class="memdoc">
  
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dc9/a00389_source.html#l00175">175</a>·of·file·<a·class="el"·href="../../dc/dc9/a00389_source.html">expressionParser.h</a>.</p>136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a00521_source.html#l00175">175</a>·of·file·<a·class="el"·href="../../d7/def/a00521_source.html">expressionParser.h</a>.</p>
  
137 </div>137 </div>
138 </div>138 </div>
139 <a·id="a157f1e46fd5ab0ff917ecc0feecf18d4"·name="a157f1e46fd5ab0ff917ecc0feecf18d4"></a>139 <a·id="a157f1e46fd5ab0ff917ecc0feecf18d4"·name="a157f1e46fd5ab0ff917ecc0feecf18d4"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a157f1e46fd5ab0ff917ecc0feecf18d4">&#9670;&nbsp;</a></span>tree</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a157f1e46fd5ab0ff917ecc0feecf18d4">&#9670;&nbsp;</a></span>tree</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
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148 ··········<td·class="memname"><a·class="el"·href="../../d5/dba/a04510.html">SyntaxTree</a>*·BALL::ExpressionParser::State::tree</td>148 ··········<td·class="memname"><a·class="el"·href="../../d5/dba/a04510.html">SyntaxTree</a>*·BALL::ExpressionParser::State::tree</td>
149 ········</tr>149 ········</tr>
150 ······</table>150 ······</table>
151 </div><div·class="memdoc">151 </div><div·class="memdoc">
  
152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dc9/a00389_source.html#l00177">177</a>·of·file·<a·class="el"·href="../../dc/dc9/a00389_source.html">expressionParser.h</a>.</p>152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a00521_source.html#l00177">177</a>·of·file·<a·class="el"·href="../../d7/def/a00521_source.html">expressionParser.h</a>.</p>
  
153 </div>153 </div>
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65 </div>65 </div>
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">colorByGridProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">geometricFitDialog.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d29/a01895_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d32/a01214_source.html">BALL/VIEW/MODELS/colorProcessor.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d1/de4/a01481_source.html">BALL/VIEW/DATATYPE/colorMap.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;BALL/VIEW/UIC/ui_geometricFitDialog.h&gt;</code><br·/>
77 </div>78 </div>
78 <p><a·href="../../d1/d34/a01211_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d1/d34/a01211_source.html">Go·to·the·source·code·of·this·file.</a></p>
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87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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71 ··<div·class="headertitle"><div·class="title">BALL::BitVector·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d3/da9/a02131.html">General·datastructures</a>·&raquo;·<a·class="el"·href="../../da/d42/a02134.html">Miscellaneous</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::BitVector·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d3/da9/a02131.html">General·datastructures</a>·&raquo;·<a·class="el"·href="../../da/d42/a02134.html">Miscellaneous</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d6/d18/a01925_source.html">BALL/DATATYPE/bitVector.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d4/deb/a00710_source.html">BALL/DATATYPE/bitVector.h</a>&gt;</code></p>
75 <table·class="memberdecls">75 <table·class="memberdecls">
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77 Public·Member·Functions</h2></td></tr>77 Public·Member·Functions</h2></td></tr>
78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>
79 <tr·class="memitem:a1282ff762680dbb83884f65f788738c3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d35/a03398.html#a1282ff762680dbb83884f65f788738c3">BitVector</a>·()</td></tr>79 <tr·class="memitem:a1282ff762680dbb83884f65f788738c3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d35/a03398.html#a1282ff762680dbb83884f65f788738c3">BitVector</a>·()</td></tr>
80 <tr·class="separator:a1282ff762680dbb83884f65f788738c3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a1282ff762680dbb83884f65f788738c3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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210 <tr·class="memitem:af7769cb7c4f465f353d60a261ee5bd48"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d35/a03398.html#af7769cb7c4f465f353d60a261ee5bd48">validateRange_</a>·(<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·&amp;first,·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·&amp;last)·const</td></tr>210 <tr·class="memitem:af7769cb7c4f465f353d60a261ee5bd48"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d35/a03398.html#af7769cb7c4f465f353d60a261ee5bd48">validateRange_</a>·(<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·&amp;first,·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·&amp;last)·const</td></tr>
211 <tr·class="separator:af7769cb7c4f465f353d60a261ee5bd48"><td·class="memSeparator"·colspan="2">&#160;</td></tr>211 <tr·class="separator:af7769cb7c4f465f353d60a261ee5bd48"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
212 </table>212 </table>
213 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>213 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
214 <div·class="textblock"><p·><a·class="el"·href="../../d9/dc1/a03390.html">Bit</a>·vector·class.·Indices·may·be·given·as·negative·arguments:·start·from·the·end·-1·therefore·means·the·last·bit.·Some·functions·resize·the·instance·if·a·index·greater·than·the·size·of·the·instance·is·given.·Other·functions·throw·exception·in·this·case.·</p>214 <div·class="textblock"><p·><a·class="el"·href="../../d9/dc1/a03390.html">Bit</a>·vector·class.·Indices·may·be·given·as·negative·arguments:·start·from·the·end·-1·therefore·means·the·last·bit.·Some·functions·resize·the·instance·if·a·index·greater·than·the·size·of·the·instance·is·given.·Other·functions·throw·exception·in·this·case.·</p>
  
215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d18/a01925_source.html#l00176">176</a>·of·file·<a·class="el"·href="../../d6/d18/a01925_source.html">bitVector.h</a>.</p>215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/deb/a00710_source.html#l00176">176</a>·of·file·<a·class="el"·href="../../d4/deb/a00710_source.html">bitVector.h</a>.</p>
216 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>216 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
217 <a·id="a0c07756036fd7798b91aee7377b65266"·name="a0c07756036fd7798b91aee7377b65266"></a>217 <a·id="a0c07756036fd7798b91aee7377b65266"·name="a0c07756036fd7798b91aee7377b65266"></a>
218 <h2·class="memtitle"><span·class="permalink"><a·href="#a0c07756036fd7798b91aee7377b65266">&#9670;&nbsp;</a></span>BlockType</h2>218 <h2·class="memtitle"><span·class="permalink"><a·href="#a0c07756036fd7798b91aee7377b65266">&#9670;&nbsp;</a></span>BlockType</h2>
  
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221 ······<table·class="memname">221 ······<table·class="memname">
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223 ··········<td·class="memname">typedef·unsigned·char·<a·class="el"·href="../../d1/d35/a03398.html#a0c07756036fd7798b91aee7377b65266">BALL::BitVector::BlockType</a></td>223 ··········<td·class="memname">typedef·unsigned·char·<a·class="el"·href="../../d1/d35/a03398.html#a0c07756036fd7798b91aee7377b65266">BALL::BitVector::BlockType</a></td>
224 ········</tr>224 ········</tr>
225 ······</table>225 ······</table>
226 </div><div·class="memdoc">226 </div><div·class="memdoc">
  
227 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d18/a01925_source.html#l00188">188</a>·of·file·<a·class="el"·href="../../d6/d18/a01925_source.html">bitVector.h</a>.</p>227 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/deb/a00710_source.html#l00188">188</a>·of·file·<a·class="el"·href="../../d4/deb/a00710_source.html">bitVector.h</a>.</p>
  
228 </div>228 </div>
229 </div>229 </div>
230 <a·id="a92516c698349f6aa96787091ba7486fa"·name="a92516c698349f6aa96787091ba7486fa"></a>230 <a·id="a92516c698349f6aa96787091ba7486fa"·name="a92516c698349f6aa96787091ba7486fa"></a>
231 <h2·class="memtitle"><span·class="permalink"><a·href="#a92516c698349f6aa96787091ba7486fa">&#9670;&nbsp;</a></span>VectorType</h2>231 <h2·class="memtitle"><span·class="permalink"><a·href="#a92516c698349f6aa96787091ba7486fa">&#9670;&nbsp;</a></span>VectorType</h2>
  
232 <div·class="memitem">232 <div·class="memitem">
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239 ······<table·class="memname">239 ······<table·class="memname">
240 ········<tr>240 ········<tr>
241 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../d1/d35/a03398.html#a0c07756036fd7798b91aee7377b65266">BlockType</a>&gt;·<a·class="el"·href="../../d1/d35/a03398.html#a92516c698349f6aa96787091ba7486fa">BALL::BitVector::VectorType</a></td>241 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../d1/d35/a03398.html#a0c07756036fd7798b91aee7377b65266">BlockType</a>&gt;·<a·class="el"·href="../../d1/d35/a03398.html#a92516c698349f6aa96787091ba7486fa">BALL::BitVector::VectorType</a></td>
242 ········</tr>242 ········</tr>
243 ······</table>243 ······</table>
244 </div><div·class="memdoc">244 </div><div·class="memdoc">
  
245 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d18/a01925_source.html#l00190">190</a>·of·file·<a·class="el"·href="../../d6/d18/a01925_source.html">bitVector.h</a>.</p>245 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/deb/a00710_source.html#l00190">190</a>·of·file·<a·class="el"·href="../../d4/deb/a00710_source.html">bitVector.h</a>.</p>
  
246 </div>246 </div>
247 </div>247 </div>
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73 <div·class="contents">73 <div·class="contents">
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 76 <code>#include·&lt;<a·class="el"·href="../../d3/df8/a00155_source.html">BALL/MOLMEC/PARAMETER/lennardJones.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d0/d2b/a01997_source.html">BALL/QSAR/validation.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../df/d98/a00107_source.html">BALL/MOLMEC/COMMON/atomVector.h</a>&gt;</code><br·/>
76 <code>#include·&lt;iterator&gt;</code><br·/>78 <code>#include·&lt;<a·class="el"·href="../../d3/d8b/a00059_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>
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113 <div·class="textblock">113 <div·class="textblock">
114 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00101">101</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">pyWidget.h</a>.</p>114 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00101">101</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">pyWidget.h</a>.</p>
115 </div><h2·class="groupheader">Member·Function·Documentation</h2>115 </div><h2·class="groupheader">Member·Function·Documentation</h2>
116 <a·id="a5af689a7ce958ae6ae01ec41e860bacb"·name="a5af689a7ce958ae6ae01ec41e860bacb"></a>116 <a·id="a5af689a7ce958ae6ae01ec41e860bacb"·name="a5af689a7ce958ae6ae01ec41e860bacb"></a>
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208 ··</tr>208 ··</tr>
209 </table>209 </table>
210 </div><div·class="memdoc">210 </div><div·class="memdoc">
  
211 <p>Needed·for·MSVC.·</p>211 <p>Needed·for·MSVC.·</p>
  
212 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">pyWidget.h</a>.</p>212 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">pyWidget.h</a>.</p>
  
213 </div>213 </div>
214 </div>214 </div>
215 <a·id="ab019ef226a2e9f87a960f46e5ac78098"·name="ab019ef226a2e9f87a960f46e5ac78098"></a>215 <a·id="ab019ef226a2e9f87a960f46e5ac78098"·name="ab019ef226a2e9f87a960f46e5ac78098"></a>
216 <h2·class="memtitle"><span·class="permalink"><a·href="#ab019ef226a2e9f87a960f46e5ac78098">&#9670;&nbsp;</a></span>operator=()</h2>216 <h2·class="memtitle"><span·class="permalink"><a·href="#ab019ef226a2e9f87a960f46e5ac78098">&#9670;&nbsp;</a></span>operator=()</h2>
  
217 <div·class="memitem">217 <div·class="memitem">
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297 ········<tr>297 ········<tr>
298 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::VIEW::Hotkey::action</td>298 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::VIEW::Hotkey::action</td>
299 ········</tr>299 ········</tr>
300 ······</table>300 ······</table>
301 </div><div·class="memdoc">301 </div><div·class="memdoc">
  
302 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">pyWidget.h</a>.</p>302 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">pyWidget.h</a>.</p>
  
303 </div>303 </div>
304 </div>304 </div>
305 <a·id="aa0d161ae180199ec032a9dca6b23e688"·name="aa0d161ae180199ec032a9dca6b23e688"></a>305 <a·id="aa0d161ae180199ec032a9dca6b23e688"·name="aa0d161ae180199ec032a9dca6b23e688"></a>
306 <h2·class="memtitle"><span·class="permalink"><a·href="#aa0d161ae180199ec032a9dca6b23e688">&#9670;&nbsp;</a></span>button_state</h2>306 <h2·class="memtitle"><span·class="permalink"><a·href="#aa0d161ae180199ec032a9dca6b23e688">&#9670;&nbsp;</a></span>button_state</h2>
  
307 <div·class="memitem">307 <div·class="memitem">
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312 ······<table·class="memname">312 ······<table·class="memname">
313 ········<tr>313 ········<tr>
314 ··········<td·class="memname">Qt::KeyboardModifiers·BALL::VIEW::Hotkey::button_state</td>314 ··········<td·class="memname">Qt::KeyboardModifiers·BALL::VIEW::Hotkey::button_state</td>
315 ········</tr>315 ········</tr>
316 ······</table>316 ······</table>
317 </div><div·class="memdoc">317 </div><div·class="memdoc">
  
318 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00129">129</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">pyWidget.h</a>.</p>318 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00129">129</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">pyWidget.h</a>.</p>
  
319 </div>319 </div>
320 </div>320 </div>
321 <a·id="a92a0cbc33eb318feda605ab33ab1ec2a"·name="a92a0cbc33eb318feda605ab33ab1ec2a"></a>321 <a·id="a92a0cbc33eb318feda605ab33ab1ec2a"·name="a92a0cbc33eb318feda605ab33ab1ec2a"></a>
322 <h2·class="memtitle"><span·class="permalink"><a·href="#a92a0cbc33eb318feda605ab33ab1ec2a">&#9670;&nbsp;</a></span>comment</h2>322 <h2·class="memtitle"><span·class="permalink"><a·href="#a92a0cbc33eb318feda605ab33ab1ec2a">&#9670;&nbsp;</a></span>comment</h2>
  
323 <div·class="memitem">323 <div·class="memitem">
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329 ········<tr>329 ········<tr>
330 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::VIEW::Hotkey::comment</td>330 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::VIEW::Hotkey::comment</td>
331 ········</tr>331 ········</tr>
332 ······</table>332 ······</table>
333 </div><div·class="memdoc">333 </div><div·class="memdoc">
  
334 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00127">127</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">pyWidget.h</a>.</p>334 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00127">127</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">pyWidget.h</a>.</p>
  
335 </div>335 </div>
336 </div>336 </div>
337 <a·id="ab13dc3e8d37e9466045f4f39b260e42b"·name="ab13dc3e8d37e9466045f4f39b260e42b"></a>337 <a·id="ab13dc3e8d37e9466045f4f39b260e42b"·name="ab13dc3e8d37e9466045f4f39b260e42b"></a>
338 <h2·class="memtitle"><span·class="permalink"><a·href="#ab13dc3e8d37e9466045f4f39b260e42b">&#9670;&nbsp;</a></span>key</h2>338 <h2·class="memtitle"><span·class="permalink"><a·href="#ab13dc3e8d37e9466045f4f39b260e42b">&#9670;&nbsp;</a></span>key</h2>
  
339 <div·class="memitem">339 <div·class="memitem">
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344 ······<table·class="memname">344 ······<table·class="memname">
345 ········<tr>345 ········<tr>
346 ··········<td·class="memname">Qt::Key·BALL::VIEW::Hotkey::key</td>346 ··········<td·class="memname">Qt::Key·BALL::VIEW::Hotkey::key</td>
347 ········</tr>347 ········</tr>
348 ······</table>348 ······</table>
349 </div><div·class="memdoc">349 </div><div·class="memdoc">
  
350 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">pyWidget.h</a>.</p>350 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">pyWidget.h</a>.</p>
  
351 </div>351 </div>
352 </div>352 </div>
353 </div><!--·contents·-->353 </div><!--·contents·-->
354 <!--·start·footer·part·-->354 <!--·start·footer·part·-->
355 <hr·class="footer"/><address·class="footer"><small>355 <hr·class="footer"/><address·class="footer"><small>
356 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4356 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d4/ddb/a08183.html">List·of·all·members</a>··</div>70 <a·href="../../d4/ddb/a08183.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Point·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Point·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d2/d9b/a01433_source.html">BALL/VIEW/PRIMITIVES/point.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../dc/d10/a01412_source.html">BALL/VIEW/PRIMITIVES/point.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::Point:</div>76 Inheritance·diagram·for·BALL::VIEW::Point:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d1/d41/a08186.png"·usemap="#BALL::VIEW::Point_map"·alt=""/>79 ··<img·src="../../d1/d41/a08186.png"·usemap="#BALL::VIEW::Point_map"·alt=""/>
80 ··<map·id="BALL::VIEW::Point_map"·name="BALL::VIEW::Point_map">80 ··<map·id="BALL::VIEW::Point_map"·name="BALL::VIEW::Point_map">
81 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>81 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>
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184 <div·class="textblock"><p·><a·class="el"·href="../../d1/d41/a08186.html">Point</a>·class.·An·instance·of·<a·class="el"·href="../../d1/d41/a08186.html">Point</a>·represents·an·instance·of·the·geometric·representation·"point".·A·point·has·the·following·properties.</p><ul>184 <div·class="textblock"><p·><a·class="el"·href="../../d1/d41/a08186.html">Point</a>·class.·An·instance·of·<a·class="el"·href="../../d1/d41/a08186.html">Point</a>·represents·an·instance·of·the·geometric·representation·"point".·A·point·has·the·following·properties.</p><ul>
185 <li>color·-·the·color·of·the·point</li>185 <li>color·-·the·color·of·the·point</li>
186 <li>vertex·-·the·position·of·the·point·<dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../d1/d41/a08186.html">Point</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·<a·class="el"·href="../../db/d12/a07510.html">Vertex</a>.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</dd></dl>186 <li>vertex·-·the·position·of·the·point·<dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../d1/d41/a08186.html">Point</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·<a·class="el"·href="../../db/d12/a07510.html">Vertex</a>.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</dd></dl>
187 <dl·class="section·user"><dt></dt><dd></dd></dl>187 <dl·class="section·user"><dt></dt><dd></dd></dl>
188 </li>188 </li>
189 </ul>189 </ul>
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d9b/a01433_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d2/d9b/a01433_source.html">point.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d10/a01412_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../dc/d10/a01412_source.html">point.h</a>.</p>
191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
192 <a·id="a683b5cbabd9134be515f64056d8e69b0"·name="a683b5cbabd9134be515f64056d8e69b0"></a>192 <a·id="a683b5cbabd9134be515f64056d8e69b0"·name="a683b5cbabd9134be515f64056d8e69b0"></a>
193 <h2·class="memtitle"><span·class="permalink"><a·href="#a683b5cbabd9134be515f64056d8e69b0">&#9670;&nbsp;</a></span>Point()·<span·class="overload">[1/2]</span></h2>193 <h2·class="memtitle"><span·class="permalink"><a·href="#a683b5cbabd9134be515f64056d8e69b0">&#9670;&nbsp;</a></span>Point()·<span·class="overload">[1/2]</span></h2>
  
194 <div·class="memitem">194 <div·class="memitem">
195 <div·class="memproto">195 <div·class="memproto">
196 ······<table·class="memname">196 ······<table·class="memname">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../df/d48/a03071.html">List·of·all·members</a>··</div>72 <a·href="../../df/d48/a03071.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidSize·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidSize·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::Exception::InvalidSize:</div>78 Inheritance·diagram·for·BALL::Exception::InvalidSize:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d1/d44/a03074.png"·usemap="#BALL::Exception::InvalidSize_map"·alt=""/>81 ··<img·src="../../d1/d44/a03074.png"·usemap="#BALL::Exception::InvalidSize_map"·alt=""/>
82 ··<map·id="BALL::Exception::InvalidSize_map"·name="BALL::Exception::InvalidSize_map">82 ··<map·id="BALL::Exception::InvalidSize_map"·name="BALL::Exception::InvalidSize_map">
83 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>83 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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139 <div·class="textblock"><p·>Invalid·Size·Throw·this·exception·to·indicate·that·a·size·was·unexpected.·The·constructor·has·an·additional·argument:·the·value·of·of·the·requested·size.·</p><dl·class="params"><dt>Parameters</dt><dd>139 <div·class="textblock"><p·>Invalid·Size·Throw·this·exception·to·indicate·that·a·size·was·unexpected.·The·constructor·has·an·additional·argument:·the·value·of·of·the·requested·size.·</p><dl·class="params"><dt>Parameters</dt><dd>
140 ··<table·class="params">140 ··<table·class="params">
141 ····<tr><td·class="paramname">size</td><td>the·size·causing·the·problem·</td></tr>141 ····<tr><td·class="paramname">size</td><td>the·size·causing·the·problem·</td></tr>
142 ··</table>142 ··</table>
143 ··</dd>143 ··</dd>
144 </dl>144 </dl>
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00201">201</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00201">201</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
147 <a·id="aec0f47cd9e151d0e553a8f0eb2dceb0d"·name="aec0f47cd9e151d0e553a8f0eb2dceb0d"></a>147 <a·id="aec0f47cd9e151d0e553a8f0eb2dceb0d"·name="aec0f47cd9e151d0e553a8f0eb2dceb0d"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#aec0f47cd9e151d0e553a8f0eb2dceb0d">&#9670;&nbsp;</a></span>InvalidSize()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#aec0f47cd9e151d0e553a8f0eb2dceb0d">&#9670;&nbsp;</a></span>InvalidSize()</h2>
  
149 <div·class="memitem">149 <div·class="memitem">
150 <div·class="memproto">150 <div·class="memproto">
151 ······<table·class="memname">151 ······<table·class="memname">
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196 ··</td>196 ··</td>
197 ··<td·class="mlabels-right">197 ··<td·class="mlabels-right">
198 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>198 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
199 ··</tr>199 ··</tr>
200 </table>200 </table>
201 </div><div·class="memdoc">201 </div><div·class="memdoc">
  
202 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00209">209</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>202 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00209">209</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
  
203 </div>203 </div>
204 </div>204 </div>
205 </div><!--·contents·-->205 </div><!--·contents·-->
206 <!--·start·footer·part·-->206 <!--·start·footer·part·-->
207 <hr·class="footer"/><address·class="footer"><small>207 <hr·class="footer"/><address·class="footer"><small>
208 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4208 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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8 <title>BALL:·networking.h·File·Reference</title>8 <title>BALL:·SASEdge.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9b1ba56f93d5f2332ce0debc4bc04e32.html">SYSTEM</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">networking.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">SASEdge.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d92/a01796_source.html">BALL/STRUCTURE/graphEdge.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../df/da9/a00263_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../db/dc3/a00284_source.html">BALL/MATHS/circle3.h</a>&gt;</code><br·/>
76 <code>#include·&lt;boost/asio.hpp&gt;</code><br·/> 
77 <code>#include·&lt;QtCore/QThread&gt;</code><br·/> 
78 </div>77 </div>
79 <p><a·href="../../d1/d46/a01739_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d1/d46/a01739_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">79 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>81 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d49/a07398.html">BALL::TCPIOStream</a></td></tr> 
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/db0/a07402.html">BALL::TCPServer</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d1a/a07130.html">BALL::SASEdge</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d87/a07406.html">BALL::TCPServerThread</a></td></tr> 
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">84 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
91 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 89 </table><table·class="memberdecls">
 90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 91 Functions</h2></td></tr>
 92 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>
 93 <tr·class="memitem:gaa574bca27157d6f334d3e3ed6a648bd7"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gaa574bca27157d6f334d3e3ed6a648bd7">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·SASEdge·&amp;sasedge)</td></tr>
 94 <tr·class="separator:gaa574bca27157d6f334d3e3ed6a648bd7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>95 </table>
95 </div><!--·contents·-->96 </div><!--·contents·-->
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../df/dd3/a04527.html">List·of·all·members</a>··</div>71 <a·href="../../df/dd3/a04527.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::FragmentIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::FragmentIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/ddc/a00353_source.html">BALL/KERNEL/fragmentIterator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d1a/a00485_source.html">BALL/KERNEL/fragmentIterator.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::FragmentIteratorTraits:</div>77 Inheritance·diagram·for·BALL::FragmentIteratorTraits:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d1/d4a/a04530.png"·usemap="#BALL::FragmentIteratorTraits_map"·alt=""/>80 ··<img·src="../../d1/d4a/a04530.png"·usemap="#BALL::FragmentIteratorTraits_map"·alt=""/>
81 ··<map·id="BALL::FragmentIteratorTraits_map"·name="BALL::FragmentIteratorTraits_map">81 ··<map·id="BALL::FragmentIteratorTraits_map"·name="BALL::FragmentIteratorTraits_map">
82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>
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184 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>184 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>
185 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<a·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">More...</a><br·/></td></tr>185 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<a·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">More...</a><br·/></td></tr>
186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
187 </table>187 </table>
188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
189 <div·class="textblock"><p·>Traits·class·for·the·FragmentIterator.·Intended·for·internal·use·only!·</p><dl·class="section·user"><dt></dt><dd></dd></dl>189 <div·class="textblock"><p·>Traits·class·for·the·FragmentIterator.·Intended·for·internal·use·only!·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddc/a00353_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../db/ddc/a00353_source.html">fragmentIterator.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d1a/a00485_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d6/d1a/a00485_source.html">fragmentIterator.h</a>.</p>
191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
192 <a·id="aec991e1ae958b3476696939fa30e9b9f"·name="aec991e1ae958b3476696939fa30e9b9f"></a>192 <a·id="aec991e1ae958b3476696939fa30e9b9f"·name="aec991e1ae958b3476696939fa30e9b9f"></a>
193 <h2·class="memtitle"><span·class="permalink"><a·href="#aec991e1ae958b3476696939fa30e9b9f">&#9670;&nbsp;</a></span>FragmentIteratorTraits()·<span·class="overload">[1/3]</span></h2>193 <h2·class="memtitle"><span·class="permalink"><a·href="#aec991e1ae958b3476696939fa30e9b9f">&#9670;&nbsp;</a></span>FragmentIteratorTraits()·<span·class="overload">[1/3]</span></h2>
  
194 <div·class="memitem">194 <div·class="memitem">
195 <div·class="memproto">195 <div·class="memproto">
196 <table·class="mlabels">196 <table·class="mlabels">
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209 ··</td>209 ··</td>
210 ··<td·class="mlabels-right">210 ··<td·class="mlabels-right">
211 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>211 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
212 ··</tr>212 ··</tr>
213 </table>213 </table>
214 </div><div·class="memdoc">214 </div><div·class="memdoc">
  
215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddc/a00353_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../db/ddc/a00353_source.html">fragmentIterator.h</a>.</p>215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d1a/a00485_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d6/d1a/a00485_source.html">fragmentIterator.h</a>.</p>
  
216 </div>216 </div>
217 </div>217 </div>
218 <a·id="a27993fa96ebf8a57c29885ed6168abcd"·name="a27993fa96ebf8a57c29885ed6168abcd"></a>218 <a·id="a27993fa96ebf8a57c29885ed6168abcd"·name="a27993fa96ebf8a57c29885ed6168abcd"></a>
219 <h2·class="memtitle"><span·class="permalink"><a·href="#a27993fa96ebf8a57c29885ed6168abcd">&#9670;&nbsp;</a></span>FragmentIteratorTraits()·<span·class="overload">[2/3]</span></h2>219 <h2·class="memtitle"><span·class="permalink"><a·href="#a27993fa96ebf8a57c29885ed6168abcd">&#9670;&nbsp;</a></span>FragmentIteratorTraits()·<span·class="overload">[2/3]</span></h2>
  
220 <div·class="memitem">220 <div·class="memitem">
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237 ··</td>237 ··</td>
238 ··<td·class="mlabels-right">238 ··<td·class="mlabels-right">
239 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>239 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
240 ··</tr>240 ··</tr>
241 </table>241 </table>
242 </div><div·class="memdoc">242 </div><div·class="memdoc">
  
243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddc/a00353_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../db/ddc/a00353_source.html">fragmentIterator.h</a>.</p>243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d1a/a00485_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../d6/d1a/a00485_source.html">fragmentIterator.h</a>.</p>
  
244 </div>244 </div>
245 </div>245 </div>
246 <a·id="a6da06625114028bbd577795a7c6b4cb9"·name="a6da06625114028bbd577795a7c6b4cb9"></a>246 <a·id="a6da06625114028bbd577795a7c6b4cb9"·name="a6da06625114028bbd577795a7c6b4cb9"></a>
247 <h2·class="memtitle"><span·class="permalink"><a·href="#a6da06625114028bbd577795a7c6b4cb9">&#9670;&nbsp;</a></span>FragmentIteratorTraits()·<span·class="overload">[3/3]</span></h2>247 <h2·class="memtitle"><span·class="permalink"><a·href="#a6da06625114028bbd577795a7c6b4cb9">&#9670;&nbsp;</a></span>FragmentIteratorTraits()·<span·class="overload">[3/3]</span></h2>
  
248 <div·class="memitem">248 <div·class="memitem">
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265 ··</td>265 ··</td>
266 ··<td·class="mlabels-right">266 ··<td·class="mlabels-right">
267 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>267 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
268 ··</tr>268 ··</tr>
269 </table>269 </table>
270 </div><div·class="memdoc">270 </div><div·class="memdoc">
  
271 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddc/a00353_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../db/ddc/a00353_source.html">fragmentIterator.h</a>.</p>271 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d1a/a00485_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d6/d1a/a00485_source.html">fragmentIterator.h</a>.</p>
  
272 </div>272 </div>
273 </div>273 </div>
274 <h2·class="groupheader">Member·Function·Documentation</h2>274 <h2·class="groupheader">Member·Function·Documentation</h2>
275 <a·id="a5b2f4f3459b913ade5c55fcb6d150346"·name="a5b2f4f3459b913ade5c55fcb6d150346"></a>275 <a·id="a5b2f4f3459b913ade5c55fcb6d150346"·name="a5b2f4f3459b913ade5c55fcb6d150346"></a>
276 <h2·class="memtitle"><span·class="permalink"><a·href="#a5b2f4f3459b913ade5c55fcb6d150346">&#9670;&nbsp;</a></span>operator=()</h2>276 <h2·class="memtitle"><span·class="permalink"><a·href="#a5b2f4f3459b913ade5c55fcb6d150346">&#9670;&nbsp;</a></span>operator=()</h2>
  
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294 ··</td>294 ··</td>
295 ··<td·class="mlabels-right">295 ··<td·class="mlabels-right">
296 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>296 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
297 ··</tr>297 ··</tr>
298 </table>298 </table>
299 </div><div·class="memdoc">299 </div><div·class="memdoc">
  
300 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddc/a00353_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../db/ddc/a00353_source.html">fragmentIterator.h</a>.</p>300 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d1a/a00485_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d6/d1a/a00485_source.html">fragmentIterator.h</a>.</p>
  
301 </div>301 </div>
302 </div>302 </div>
303 <a·id="a7123a141c09b15d455ec112f385dd900"·name="a7123a141c09b15d455ec112f385dd900"></a>303 <a·id="a7123a141c09b15d455ec112f385dd900"·name="a7123a141c09b15d455ec112f385dd900"></a>
304 <h2·class="memtitle"><span·class="permalink"><a·href="#a7123a141c09b15d455ec112f385dd900">&#9670;&nbsp;</a></span>resetPredicate()</h2>304 <h2·class="memtitle"><span·class="permalink"><a·href="#a7123a141c09b15d455ec112f385dd900">&#9670;&nbsp;</a></span>resetPredicate()</h2>
  
305 <div·class="memitem">305 <div·class="memitem">
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321 ··</td>321 ··</td>
322 ··<td·class="mlabels-right">322 ··<td·class="mlabels-right">
323 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>323 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
324 ··</tr>324 ··</tr>
325 </table>325 </table>
326 </div><div·class="memdoc">326 </div><div·class="memdoc">
  
327 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddc/a00353_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../db/ddc/a00353_source.html">fragmentIterator.h</a>.</p>327 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d1a/a00485_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../d6/d1a/a00485_source.html">fragmentIterator.h</a>.</p>
  
328 </div>328 </div>
329 </div>329 </div>
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d9/d52/a05731.html">List·of·all·members</a>··</div>70 <a·href="../../d9/d52/a05731.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::KNNModel·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::KNNModel·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d5/d2c/a02012_source.html">BALL/QSAR/knnModel.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d8/d91/a00410_source.html">BALL/QSAR/knnModel.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::QSAR::KNNModel:</div>76 Inheritance·diagram·for·BALL::QSAR::KNNModel:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d1/d52/a05734.png"·usemap="#BALL::QSAR::KNNModel_map"·alt=""/>79 ··<img·src="../../d1/d52/a05734.png"·usemap="#BALL::QSAR::KNNModel_map"·alt=""/>
80 ··<map·id="BALL::QSAR::KNNModel_map"·name="BALL::QSAR::KNNModel_map">80 ··<map·id="BALL::QSAR::KNNModel_map"·name="BALL::QSAR::KNNModel_map">
81 <area·href="../../d3/ddd/a05594.html"·alt="BALL::QSAR::ALLModel"·shape="rect"·coords="0,168,188,192"/>81 <area·href="../../d3/ddd/a05594.html"·alt="BALL::QSAR::ALLModel"·shape="rect"·coords="0,168,188,192"/>
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253 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>253 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
254 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>254 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
255 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>255 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
256 </table>256 </table>
257 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>257 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
258 <div·class="textblock"><p·>class·for·automated·lazy·learning·(ALL-QSAR)·</p>258 <div·class="textblock"><p·>class·for·automated·lazy·learning·(ALL-QSAR)·</p>
  
259 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d2c/a02012_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d5/d2c/a02012_source.html">knnModel.h</a>.</p>259 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d91/a00410_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d8/d91/a00410_source.html">knnModel.h</a>.</p>
260 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>260 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
261 <a·id="a7ebfc35e00ccb899a004b75833c80abe"·name="a7ebfc35e00ccb899a004b75833c80abe"></a>261 <a·id="a7ebfc35e00ccb899a004b75833c80abe"·name="a7ebfc35e00ccb899a004b75833c80abe"></a>
262 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ebfc35e00ccb899a004b75833c80abe">&#9670;&nbsp;</a></span>KNNModel()</h2>262 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ebfc35e00ccb899a004b75833c80abe">&#9670;&nbsp;</a></span>KNNModel()</h2>
  
263 <div·class="memitem">263 <div·class="memitem">
264 <div·class="memproto">264 <div·class="memproto">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../da/dee/a07891.html">List·of·all·members</a>··</div>71 <a·href="../../da/dee/a07891.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ModelInformation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../df/d4a/a02204.html">Kernel</a>·&raquo;·<a·class="el"·href="../../d8/d1e/a02210.html">Other·classes</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ModelInformation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../df/d4a/a02204.html">Kernel</a>·&raquo;·<a·class="el"·href="../../d8/d1e/a02210.html">Other·classes</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../da/db7/a01088_source.html">BALL/VIEW/KERNEL/modelInformation.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d22/a01049_source.html">BALL/VIEW/KERNEL/modelInformation.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:a35d19b8afad40e6b84016f4455cfa104"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d53/a07894.html#a35d19b8afad40e6b84016f4455cfa104">ModelInformation</a>·()</td></tr>79 <tr·class="memitem:a35d19b8afad40e6b84016f4455cfa104"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d53/a07894.html#a35d19b8afad40e6b84016f4455cfa104">ModelInformation</a>·()</td></tr>
80 <tr·class="separator:a35d19b8afad40e6b84016f4455cfa104"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a35d19b8afad40e6b84016f4455cfa104"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a348629209ea49e152f7d58c29b2fd75d"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d53/a07894.html#a348629209ea49e152f7d58c29b2fd75d">~ModelInformation</a>·()</td></tr>81 <tr·class="memitem:a348629209ea49e152f7d58c29b2fd75d"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d53/a07894.html#a348629209ea49e152f7d58c29b2fd75d">~ModelInformation</a>·()</td></tr>
82 <tr·class="separator:a348629209ea49e152f7d58c29b2fd75d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a348629209ea49e152f7d58c29b2fd75d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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94 <tr·class="separator:a881351942efd33dabf94d97ae2310d2f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:a881351942efd33dabf94d97ae2310d2f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 <tr·class="memitem:a75f7c16b51be648e006a9be8a81ef36e"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d53/a07894.html#a75f7c16b51be648e006a9be8a81ef36e">modelMustBeRebuild</a>·(<a·class="el"·href="../../d4/dc0/a02225.html#ab65bae435bb475059fa95f085e2dffa2">ModelType</a>·type)·const</td></tr>95 <tr·class="memitem:a75f7c16b51be648e006a9be8a81ef36e"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d53/a07894.html#a75f7c16b51be648e006a9be8a81ef36e">modelMustBeRebuild</a>·(<a·class="el"·href="../../d4/dc0/a02225.html#ab65bae435bb475059fa95f085e2dffa2">ModelType</a>·type)·const</td></tr>
96 <tr·class="separator:a75f7c16b51be648e006a9be8a81ef36e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:a75f7c16b51be648e006a9be8a81ef36e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>97 </table>
98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
99 <div·class="textblock"><p·><a·class="el"·href="../../d1/d53/a07894.html">ModelInformation</a>·class.·This·class·is·used·to·retrieve·names,·types·and·different·properties·for·the·different·models·and·coloring·methods.·It·can·be·used·to·inform·the·<a·class="el"·href="../../d4/dc0/a02225.html">VIEW</a>·libraries·classes·of·additional·model·types,·that·are·declared·outside·of·the·library·itself.·To·do·so,·call·<a·class="el"·href="../../d2/d34/a07814.html#aba8638282e79a31086dbd7de664ef9e9">MainControl::setModelInformation()</a>.·</p>99 <div·class="textblock"><p·><a·class="el"·href="../../d1/d53/a07894.html">ModelInformation</a>·class.·This·class·is·used·to·retrieve·names,·types·and·different·properties·for·the·different·models·and·coloring·methods.·It·can·be·used·to·inform·the·<a·class="el"·href="../../d4/dc0/a02225.html">VIEW</a>·libraries·classes·of·additional·model·types,·that·are·declared·outside·of·the·library·itself.·To·do·so,·call·<a·class="el"·href="../../d2/d34/a07814.html#aba8638282e79a31086dbd7de664ef9e9">MainControl::setModelInformation()</a>.·</p>
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/db7/a01088_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../da/db7/a01088_source.html">modelInformation.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d22/a01049_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d0/d22/a01049_source.html">modelInformation.h</a>.</p>
101 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>101 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
102 <a·id="a35d19b8afad40e6b84016f4455cfa104"·name="a35d19b8afad40e6b84016f4455cfa104"></a>102 <a·id="a35d19b8afad40e6b84016f4455cfa104"·name="a35d19b8afad40e6b84016f4455cfa104"></a>
103 <h2·class="memtitle"><span·class="permalink"><a·href="#a35d19b8afad40e6b84016f4455cfa104">&#9670;&nbsp;</a></span>ModelInformation()</h2>103 <h2·class="memtitle"><span·class="permalink"><a·href="#a35d19b8afad40e6b84016f4455cfa104">&#9670;&nbsp;</a></span>ModelInformation()</h2>
  
104 <div·class="memitem">104 <div·class="memitem">
105 <div·class="memproto">105 <div·class="memproto">
106 ······<table·class="memname">106 ······<table·class="memname">
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71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
73 <a·href="../../dc/d3e/a06423.html">List·of·all·members</a>··</div>73 <a·href="../../dc/d3e/a06423.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::Rescoring1D·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::Rescoring1D·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d1/d5d/a00311_source.html">BALL/SCORING/FUNCTIONS/rescoring1D.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d9/de8/a02006_source.html">BALL/SCORING/FUNCTIONS/rescoring1D.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::Rescoring1D:</div>79 Inheritance·diagram·for·BALL::Rescoring1D:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d1/d54/a06426.png"·usemap="#BALL::Rescoring1D_map"·alt=""/>82 ··<img·src="../../d1/d54/a06426.png"·usemap="#BALL::Rescoring1D_map"·alt=""/>
83 ··<map·id="BALL::Rescoring1D_map"·name="BALL::Rescoring1D_map">83 ··<map·id="BALL::Rescoring1D_map"·name="BALL::Rescoring1D_map">
84 <area·href="../../df/d53/a06418.html"·alt="BALL::Rescoring"·shape="rect"·coords="0,0,122,24"/>84 <area·href="../../df/d53/a06418.html"·alt="BALL::Rescoring"·shape="rect"·coords="0,0,122,24"/>
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150 <tr·class="memitem:a834cba3f515689a5f05d5dc471d3363c·inherit·pro_attribs_a06418"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d53/a06418.html#a834cba3f515689a5f05d5dc471d3363c">name_</a></td></tr>150 <tr·class="memitem:a834cba3f515689a5f05d5dc471d3363c·inherit·pro_attribs_a06418"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d53/a06418.html#a834cba3f515689a5f05d5dc471d3363c">name_</a></td></tr>
151 <tr·class="separator:a834cba3f515689a5f05d5dc471d3363c·inherit·pro_attribs_a06418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>151 <tr·class="separator:a834cba3f515689a5f05d5dc471d3363c·inherit·pro_attribs_a06418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
152 <tr·class="memitem:a1bd0cda391beb59bff9cbf15a1fd734b·inherit·pro_attribs_a06418"><td·class="memItemLeft"·align="right"·valign="top">std::ofstream&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d53/a06418.html#a1bd0cda391beb59bff9cbf15a1fd734b">stddev_out_</a></td></tr>152 <tr·class="memitem:a1bd0cda391beb59bff9cbf15a1fd734b·inherit·pro_attribs_a06418"><td·class="memItemLeft"·align="right"·valign="top">std::ofstream&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d53/a06418.html#a1bd0cda391beb59bff9cbf15a1fd734b">stddev_out_</a></td></tr>
153 <tr·class="separator:a1bd0cda391beb59bff9cbf15a1fd734b·inherit·pro_attribs_a06418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>153 <tr·class="separator:a1bd0cda391beb59bff9cbf15a1fd734b·inherit·pro_attribs_a06418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
154 </table>154 </table>
155 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>155 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
156 <div·class="textblock">156 <div·class="textblock">
157 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d5d/a00311_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../d1/d5d/a00311_source.html">rescoring1D.h</a>.</p>157 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/de8/a02006_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../d9/de8/a02006_source.html">rescoring1D.h</a>.</p>
158 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>158 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
159 <a·id="ac7622807884dd126305172d6c5d0bae1"·name="ac7622807884dd126305172d6c5d0bae1"></a>159 <a·id="ac7622807884dd126305172d6c5d0bae1"·name="ac7622807884dd126305172d6c5d0bae1"></a>
160 <h2·class="memtitle"><span·class="permalink"><a·href="#ac7622807884dd126305172d6c5d0bae1">&#9670;&nbsp;</a></span>Rescoring1D()</h2>160 <h2·class="memtitle"><span·class="permalink"><a·href="#ac7622807884dd126305172d6c5d0bae1">&#9670;&nbsp;</a></span>Rescoring1D()</h2>
  
161 <div·class="memitem">161 <div·class="memitem">
162 <div·class="memproto">162 <div·class="memproto">
163 ······<table·class="memname">163 ······<table·class="memname">
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281 ··</td>281 ··</td>
282 ··<td·class="mlabels-right">282 ··<td·class="mlabels-right">
283 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>283 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
284 ··</tr>284 ··</tr>
285 </table>285 </table>
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d5e/a00275_source.html">BALL/SCORING/FUNCTIONS/rescoring.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d5/d4c/a01058_source.html">BALL/VIEW/KERNEL/representation.h</a>&gt;</code><br·/>
75 </div>77 </div>
76 <p><a·href="../../d1/d5d/a00311_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d1/d5d/a00311_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">79 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>81 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d54/a06426.html">BALL::Rescoring1D</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/db7/a05562.html">BALL::PyCompositeList</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">84 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
84 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table>89 </table>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../d8/d4f/a03703.html">List·of·all·members</a>··</div>72 <a·href="../../d8/d4f/a03703.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::Receptor·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::Receptor·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d9/d87/a00551_source.html">BALL/DOCKING/COMMON/receptor.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d2/dc1/a01562_source.html">BALL/DOCKING/COMMON/receptor.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::Receptor:</div>78 Inheritance·diagram·for·BALL::Receptor:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d1/d5f/a03706.png"·usemap="#BALL::Receptor_map"·alt=""/>81 ··<img·src="../../d1/d5f/a03706.png"·usemap="#BALL::Receptor_map"·alt=""/>
82 ··<map·id="BALL::Receptor_map"·name="BALL::Receptor_map">82 ··<map·id="BALL::Receptor_map"·name="BALL::Receptor_map">
83 <area·href="../../d6/de6/a03666.html"·alt="BALL::FlexibleMolecule"·shape="rect"·coords="0,0,145,24"/>83 <area·href="../../d6/de6/a03666.html"·alt="BALL::FlexibleMolecule"·shape="rect"·coords="0,0,145,24"/>
Offset 163, 15 lines modifiedOffset 163, 15 lines modified
163 <tr·class="inherit_header·pro_methods_a03666"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a03666')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d6/de6/a03666.html">BALL::FlexibleMolecule</a></td></tr>163 <tr·class="inherit_header·pro_methods_a03666"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a03666')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d6/de6/a03666.html">BALL::FlexibleMolecule</a></td></tr>
164 <tr·class="memitem:a3e6d9d7f1883edc57c0abfd11e416502·inherit·pro_methods_a03666"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/de6/a03666.html#a3e6d9d7f1883edc57c0abfd11e416502">checkCompatibility</a>·(<a·class="el"·href="../../d8/d71/a03626.html">Conformation</a>·*conf)</td></tr>164 <tr·class="memitem:a3e6d9d7f1883edc57c0abfd11e416502·inherit·pro_methods_a03666"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/de6/a03666.html#a3e6d9d7f1883edc57c0abfd11e416502">checkCompatibility</a>·(<a·class="el"·href="../../d8/d71/a03626.html">Conformation</a>·*conf)</td></tr>
165 <tr·class="separator:a3e6d9d7f1883edc57c0abfd11e416502·inherit·pro_methods_a03666"><td·class="memSeparator"·colspan="2">&#160;</td></tr>165 <tr·class="separator:a3e6d9d7f1883edc57c0abfd11e416502·inherit·pro_methods_a03666"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
166 </table>166 </table>
167 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>167 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
168 <div·class="textblock"><p·><a·class="el"·href="../../d1/d5f/a03706.html">Receptor</a>·class.·This·class·represents·protein·receptors.·</p>168 <div·class="textblock"><p·><a·class="el"·href="../../d1/d5f/a03706.html">Receptor</a>·class.·This·class·represents·protein·receptors.·</p>
  
169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d87/a00551_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d9/d87/a00551_source.html">receptor.h</a>.</p>169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dc1/a01562_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d2/dc1/a01562_source.html">receptor.h</a>.</p>
170 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>170 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
171 <a·id="a471e0b71b50c8ff13d8ee5c5e7f61c8b"·name="a471e0b71b50c8ff13d8ee5c5e7f61c8b"></a>171 <a·id="a471e0b71b50c8ff13d8ee5c5e7f61c8b"·name="a471e0b71b50c8ff13d8ee5c5e7f61c8b"></a>
172 <h2·class="memtitle"><span·class="permalink"><a·href="#a471e0b71b50c8ff13d8ee5c5e7f61c8b">&#9670;&nbsp;</a></span>Receptor()·<span·class="overload">[1/2]</span></h2>172 <h2·class="memtitle"><span·class="permalink"><a·href="#a471e0b71b50c8ff13d8ee5c5e7f61c8b">&#9670;&nbsp;</a></span>Receptor()·<span·class="overload">[1/2]</span></h2>
  
173 <div·class="memitem">173 <div·class="memitem">
174 <div·class="memproto">174 <div·class="memproto">
175 ······<table·class="memname">175 ······<table·class="memname">
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379 ··</td>379 ··</td>
380 ··<td·class="mlabels-right">380 ··<td·class="mlabels-right">
381 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>381 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
382 ··</tr>382 ··</tr>
383 </table>383 </table>
384 </div><div·class="memdoc">384 </div><div·class="memdoc">
  
385 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d87/a00551_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d9/d87/a00551_source.html">receptor.h</a>.</p>385 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dc1/a01562_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d2/dc1/a01562_source.html">receptor.h</a>.</p>
  
386 </div>386 </div>
387 </div>387 </div>
388 </div><!--·contents·-->388 </div><!--·contents·-->
389 <!--·start·footer·part·-->389 <!--·start·footer·part·-->
390 <hr·class="footer"/><address·class="footer"><small>390 <hr·class="footer"/><address·class="footer"><small>
391 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4391 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../d8/df3/a06263.html">List·of·all·members</a>··</div>72 <a·href="../../d8/df3/a06263.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::Electrostatic·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::Electrostatic·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d6/de1/a00233_source.html">BALL/SCORING/COMPONENTS/electrostatic.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d9/d95/a02075_source.html">BALL/SCORING/COMPONENTS/electrostatic.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::Electrostatic:</div>78 Inheritance·diagram·for·BALL::Electrostatic:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d1/d66/a06266.png"·usemap="#BALL::Electrostatic_map"·alt=""/>81 ··<img·src="../../d1/d66/a06266.png"·usemap="#BALL::Electrostatic_map"·alt=""/>
82 ··<map·id="BALL::Electrostatic_map"·name="BALL::Electrostatic_map">82 ··<map·id="BALL::Electrostatic_map"·name="BALL::Electrostatic_map">
83 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,176,24"/>83 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,176,24"/>
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190 Additional·Inherited·Members</h2></td></tr>190 Additional·Inherited·Members</h2></td></tr>
191 <tr·class="inherit_header·pro_methods_a06162"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06162')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>191 <tr·class="inherit_header·pro_methods_a06162"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06162')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>
192 <tr·class="memitem:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#af0e53f17f9760bf500c2dbcf15d7fa3e">scaleScore</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·score)·const</td></tr>192 <tr·class="memitem:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#af0e53f17f9760bf500c2dbcf15d7fa3e">scaleScore</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·score)·const</td></tr>
193 <tr·class="separator:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>193 <tr·class="separator:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
194 </table>194 </table>
195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
196 <div·class="textblock">196 <div·class="textblock">
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/de1/a00233_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d6/de1/a00233_source.html">electrostatic.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d95/a02075_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d9/d95/a02075_source.html">electrostatic.h</a>.</p>
198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
199 <a·id="a06a784858a753888ff8ae9e16cf851ff"·name="a06a784858a753888ff8ae9e16cf851ff"></a>199 <a·id="a06a784858a753888ff8ae9e16cf851ff"·name="a06a784858a753888ff8ae9e16cf851ff"></a>
200 <h2·class="memtitle"><span·class="permalink"><a·href="#a06a784858a753888ff8ae9e16cf851ff">&#9670;&nbsp;</a></span>Electrostatic()·<span·class="overload">[1/2]</span></h2>200 <h2·class="memtitle"><span·class="permalink"><a·href="#a06a784858a753888ff8ae9e16cf851ff">&#9670;&nbsp;</a></span>Electrostatic()·<span·class="overload">[1/2]</span></h2>
  
201 <div·class="memitem">201 <div·class="memitem">
202 <div·class="memproto">202 <div·class="memproto">
203 ······<table·class="memname">203 ······<table·class="memname">
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353 ··</td>353 ··</td>
354 ··<td·class="mlabels-right">354 ··<td·class="mlabels-right">
355 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>355 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
356 ··</tr>356 ··</tr>
357 </table>357 </table>
358 </div><div·class="memdoc">358 </div><div·class="memdoc">
  
359 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/de1/a00233_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d6/de1/a00233_source.html">electrostatic.h</a>.</p>359 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d95/a02075_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d9/d95/a02075_source.html">electrostatic.h</a>.</p>
  
360 </div>360 </div>
361 </div>361 </div>
362 </div><!--·contents·-->362 </div><!--·contents·-->
363 <!--·start·footer·part·-->363 <!--·start·footer·part·-->
364 <hr·class="footer"/><address·class="footer"><small>364 <hr·class="footer"/><address·class="footer"><small>
365 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4365 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d7/d72/a07767.html">List·of·all·members</a>··</div>71 <a·href="../../d7/d72/a07767.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::InputPlugin·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::InputPlugin·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d0f/a01256_source.html">BALL/VIEW/INPUT/inputPlugin.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d49/a01316_source.html">BALL/VIEW/INPUT/inputPlugin.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:aa41b67c0570c94d86046f76c5c5246d8"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d66/a07770.html#aa41b67c0570c94d86046f76c5c5246d8">~InputPlugin</a>·()</td></tr>79 <tr·class="memitem:aa41b67c0570c94d86046f76c5c5246d8"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d66/a07770.html#aa41b67c0570c94d86046f76c5c5246d8">~InputPlugin</a>·()</td></tr>
80 <tr·class="separator:aa41b67c0570c94d86046f76c5c5246d8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:aa41b67c0570c94d86046f76c5c5246d8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a1b1b6787f52768c77f59f5945f2586b0"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d66/a07770.html#a1b1b6787f52768c77f59f5945f2586b0">setReceiver</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*receiver)=0</td></tr>81 <tr·class="memitem:a1b1b6787f52768c77f59f5945f2586b0"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d66/a07770.html#a1b1b6787f52768c77f59f5945f2586b0">setReceiver</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*receiver)=0</td></tr>
82 <tr·class="separator:a1b1b6787f52768c77f59f5945f2586b0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a1b1b6787f52768c77f59f5945f2586b0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:aa2cef780c4ffa40dea104dd94b40bd5c"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d66/a07770.html#aa2cef780c4ffa40dea104dd94b40bd5c">startDriver</a>·()=0</td></tr>83 <tr·class="memitem:aa2cef780c4ffa40dea104dd94b40bd5c"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d66/a07770.html#aa2cef780c4ffa40dea104dd94b40bd5c">startDriver</a>·()=0</td></tr>
84 <tr·class="separator:aa2cef780c4ffa40dea104dd94b40bd5c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:aa2cef780c4ffa40dea104dd94b40bd5c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock">87 <div·class="textblock">
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d0f/a01256_source.html#l00012">12</a>·of·file·<a·class="el"·href="../../d6/d0f/a01256_source.html">inputPlugin.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d49/a01316_source.html#l00012">12</a>·of·file·<a·class="el"·href="../../d4/d49/a01316_source.html">inputPlugin.h</a>.</p>
89 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>89 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
90 <a·id="aa41b67c0570c94d86046f76c5c5246d8"·name="aa41b67c0570c94d86046f76c5c5246d8"></a>90 <a·id="aa41b67c0570c94d86046f76c5c5246d8"·name="aa41b67c0570c94d86046f76c5c5246d8"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#aa41b67c0570c94d86046f76c5c5246d8">&#9670;&nbsp;</a></span>~InputPlugin()</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#aa41b67c0570c94d86046f76c5c5246d8">&#9670;&nbsp;</a></span>~InputPlugin()</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
93 <div·class="memproto">93 <div·class="memproto">
94 <table·class="mlabels">94 <table·class="mlabels">
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107 ··</td>107 ··</td>
108 ··<td·class="mlabels-right">108 ··<td·class="mlabels-right">
109 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>109 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
110 ··</tr>110 ··</tr>
111 </table>111 </table>
112 </div><div·class="memdoc">112 </div><div·class="memdoc">
  
113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d0f/a01256_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d6/d0f/a01256_source.html">inputPlugin.h</a>.</p>113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d49/a01316_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d4/d49/a01316_source.html">inputPlugin.h</a>.</p>
  
114 </div>114 </div>
115 </div>115 </div>
116 <h2·class="groupheader">Member·Function·Documentation</h2>116 <h2·class="groupheader">Member·Function·Documentation</h2>
117 <a·id="a1b1b6787f52768c77f59f5945f2586b0"·name="a1b1b6787f52768c77f59f5945f2586b0"></a>117 <a·id="a1b1b6787f52768c77f59f5945f2586b0"·name="a1b1b6787f52768c77f59f5945f2586b0"></a>
118 <h2·class="memtitle"><span·class="permalink"><a·href="#a1b1b6787f52768c77f59f5945f2586b0">&#9670;&nbsp;</a></span>setReceiver()</h2>118 <h2·class="memtitle"><span·class="permalink"><a·href="#a1b1b6787f52768c77f59f5945f2586b0">&#9670;&nbsp;</a></span>setReceiver()</h2>
  
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71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
73 <a·href="../../d5/d8f/a06843.html">List·of·all·members</a>··</div>73 <a·href="../../d5/d8f/a06843.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::AssignRadiusProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::AssignRadiusProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00578_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../da/d18/a01850_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::AssignRadiusProcessor:</div>79 Inheritance·diagram·for·BALL::AssignRadiusProcessor:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d1/d67/a06846.png"·usemap="#BALL::AssignRadiusProcessor_map"·alt=""/>82 ··<img·src="../../d1/d67/a06846.png"·usemap="#BALL::AssignRadiusProcessor_map"·alt=""/>
83 ··<map·id="BALL::AssignRadiusProcessor_map"·name="BALL::AssignRadiusProcessor_map">83 ··<map·id="BALL::AssignRadiusProcessor_map"·name="BALL::AssignRadiusProcessor_map">
84 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>84 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>
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148 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>148 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
149 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>149 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
150 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>150 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
151 </table>151 </table>
152 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>152 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
153 <div·class="textblock"><p·>Assigns·the·radius·to·each·atom.·This·processor·reads·a·radius·table·from·a·file·and·assigns·each·atom·a·radius·according·to·its·name·and·the·name·of·the·fragment·the·atom·is·contained·in.·</p>153 <div·class="textblock"><p·>Assigns·the·radius·to·each·atom.·This·processor·reads·a·radius·table·from·a·file·and·assigns·each·atom·a·radius·according·to·its·name·and·the·name·of·the·fragment·the·atom·is·contained·in.·</p>
  
154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5c/a00578_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../dd/d5c/a00578_source.html">defaultProcessors.h</a>.</p>154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d18/a01850_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../da/d18/a01850_source.html">defaultProcessors.h</a>.</p>
155 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>155 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
156 <a·id="a5a573794bf045800acb449e963c8c581"·name="a5a573794bf045800acb449e963c8c581"></a>156 <a·id="a5a573794bf045800acb449e963c8c581"·name="a5a573794bf045800acb449e963c8c581"></a>
157 <h2·class="memtitle"><span·class="permalink"><a·href="#a5a573794bf045800acb449e963c8c581">&#9670;&nbsp;</a></span>AssignRadiusProcessor()·<span·class="overload">[1/2]</span></h2>157 <h2·class="memtitle"><span·class="permalink"><a·href="#a5a573794bf045800acb449e963c8c581">&#9670;&nbsp;</a></span>AssignRadiusProcessor()·<span·class="overload">[1/2]</span></h2>
  
158 <div·class="memitem">158 <div·class="memitem">
159 <div·class="memproto">159 <div·class="memproto">
160 ······<table·class="memname">160 ······<table·class="memname">
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418 ··</td>418 ··</td>
419 ··<td·class="mlabels-right">419 ··<td·class="mlabels-right">
420 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>420 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
421 ··</tr>421 ··</tr>
422 </table>422 </table>
423 </div><div·class="memdoc">423 </div><div·class="memdoc">
  
424 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5c/a00578_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../dd/d5c/a00578_source.html">defaultProcessors.h</a>.</p>424 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d18/a01850_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../da/d18/a01850_source.html">defaultProcessors.h</a>.</p>
  
425 </div>425 </div>
426 </div>426 </div>
427 <a·id="aa17429fc6bc83e2b02d2def8e659bf61"·name="aa17429fc6bc83e2b02d2def8e659bf61"></a>427 <a·id="aa17429fc6bc83e2b02d2def8e659bf61"·name="aa17429fc6bc83e2b02d2def8e659bf61"></a>
428 <h2·class="memtitle"><span·class="permalink"><a·href="#aa17429fc6bc83e2b02d2def8e659bf61">&#9670;&nbsp;</a></span>number_of_assignments_</h2>428 <h2·class="memtitle"><span·class="permalink"><a·href="#aa17429fc6bc83e2b02d2def8e659bf61">&#9670;&nbsp;</a></span>number_of_assignments_</h2>
  
429 <div·class="memitem">429 <div·class="memitem">
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442 ··</td>442 ··</td>
443 ··<td·class="mlabels-right">443 ··<td·class="mlabels-right">
444 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>444 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
445 ··</tr>445 ··</tr>
446 </table>446 </table>
447 </div><div·class="memdoc">447 </div><div·class="memdoc">
  
448 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5c/a00578_source.html#l00134">134</a>·of·file·<a·class="el"·href="../../dd/d5c/a00578_source.html">defaultProcessors.h</a>.</p>448 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d18/a01850_source.html#l00134">134</a>·of·file·<a·class="el"·href="../../da/d18/a01850_source.html">defaultProcessors.h</a>.</p>
  
449 </div>449 </div>
450 </div>450 </div>
451 <a·id="a7e7c35f9c3874aefa648647c99bbbd9e"·name="a7e7c35f9c3874aefa648647c99bbbd9e"></a>451 <a·id="a7e7c35f9c3874aefa648647c99bbbd9e"·name="a7e7c35f9c3874aefa648647c99bbbd9e"></a>
452 <h2·class="memtitle"><span·class="permalink"><a·href="#a7e7c35f9c3874aefa648647c99bbbd9e">&#9670;&nbsp;</a></span>number_of_errors_</h2>452 <h2·class="memtitle"><span·class="permalink"><a·href="#a7e7c35f9c3874aefa648647c99bbbd9e">&#9670;&nbsp;</a></span>number_of_errors_</h2>
  
453 <div·class="memitem">453 <div·class="memitem">
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466 ··</td>466 ··</td>
467 ··<td·class="mlabels-right">467 ··<td·class="mlabels-right">
468 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>468 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
469 ··</tr>469 ··</tr>
470 </table>470 </table>
471 </div><div·class="memdoc">471 </div><div·class="memdoc">
  
472 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5c/a00578_source.html#l00133">133</a>·of·file·<a·class="el"·href="../../dd/d5c/a00578_source.html">defaultProcessors.h</a>.</p>472 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d18/a01850_source.html#l00133">133</a>·of·file·<a·class="el"·href="../../da/d18/a01850_source.html">defaultProcessors.h</a>.</p>
  
473 </div>473 </div>
474 </div>474 </div>
475 <a·id="a72a7e81489afacf5f6cf4e30995b74c3"·name="a72a7e81489afacf5f6cf4e30995b74c3"></a>475 <a·id="a72a7e81489afacf5f6cf4e30995b74c3"·name="a72a7e81489afacf5f6cf4e30995b74c3"></a>
476 <h2·class="memtitle"><span·class="permalink"><a·href="#a72a7e81489afacf5f6cf4e30995b74c3">&#9670;&nbsp;</a></span>table_</h2>476 <h2·class="memtitle"><span·class="permalink"><a·href="#a72a7e81489afacf5f6cf4e30995b74c3">&#9670;&nbsp;</a></span>table_</h2>
  
477 <div·class="memitem">477 <div·class="memitem">
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490 ··</td>490 ··</td>
491 ··<td·class="mlabels-right">491 ··<td·class="mlabels-right">
492 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>492 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
493 ··</tr>493 ··</tr>
494 </table>494 </table>
495 </div><div·class="memdoc">495 </div><div·class="memdoc">
  
496 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5c/a00578_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../dd/d5c/a00578_source.html">defaultProcessors.h</a>.</p>496 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d18/a01850_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../da/d18/a01850_source.html">defaultProcessors.h</a>.</p>
  
497 </div>497 </div>
498 </div>498 </div>
499 </div><!--·contents·-->499 </div><!--·contents·-->
500 <!--·start·footer·part·-->500 <!--·start·footer·part·-->
501 <hr·class="footer"/><address·class="footer"><small>501 <hr·class="footer"/><address·class="footer"><small>
502 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4502 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../dd/d89/a03831.html">List·of·all·members</a>··</div>70 <a·href="../../dd/d89/a03831.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::AntechamberFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::AntechamberFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../db/db6/a00074_source.html">BALL/FORMAT/antechamberFile.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d3/dcd/a00965_source.html">BALL/FORMAT/antechamberFile.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::AntechamberFile:</div>76 Inheritance·diagram·for·BALL::AntechamberFile:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d1/d69/a03834.png"·usemap="#BALL::AntechamberFile_map"·alt=""/>79 ··<img·src="../../d1/d69/a03834.png"·usemap="#BALL::AntechamberFile_map"·alt=""/>
80 ··<map·id="BALL::AntechamberFile_map"·name="BALL::AntechamberFile_map">80 ··<map·id="BALL::AntechamberFile_map"·name="BALL::AntechamberFile_map">
81 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>81 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>
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387 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>387 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
388 </table>388 </table>
389 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>389 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
390 <div·class="textblock"><p·>Antechamber·file·format·(ac-file)·class.</p>390 <div·class="textblock"><p·>Antechamber·file·format·(ac-file)·class.</p>
391 <p·>This·class·is·used·to·read·and·write·antechamber·input/output·files.·<br··/>391 <p·>This·class·is·used·to·read·and·write·antechamber·input/output·files.·<br··/>
392 ·</p><dl·class="section·user"><dt></dt><dd></dd></dl>392 ·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
393 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/db6/a00074_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../db/db6/a00074_source.html">antechamberFile.h</a>.</p>393 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dcd/a00965_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d3/dcd/a00965_source.html">antechamberFile.h</a>.</p>
394 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>394 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
395 <a·id="a9ff6a3bd572242226555cb30682d7009"·name="a9ff6a3bd572242226555cb30682d7009"></a>395 <a·id="a9ff6a3bd572242226555cb30682d7009"·name="a9ff6a3bd572242226555cb30682d7009"></a>
396 <h2·class="memtitle"><span·class="permalink"><a·href="#a9ff6a3bd572242226555cb30682d7009">&#9670;&nbsp;</a></span>AntechamberFile()·<span·class="overload">[1/2]</span></h2>396 <h2·class="memtitle"><span·class="permalink"><a·href="#a9ff6a3bd572242226555cb30682d7009">&#9670;&nbsp;</a></span>AntechamberFile()·<span·class="overload">[1/2]</span></h2>
  
397 <div·class="memitem">397 <div·class="memitem">
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8 <title>BALL:·electrostaticPotentialCalculator.h·File·Reference</title>8 <title>BALL:·residueChecker.h·File·Reference</title>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">electrostaticPotentialCalculator.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">residueChecker.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/MATHS/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d4/deb/a00710_source.html">BALL/DATATYPE/bitVector.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00578_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code><br·/> 
77 </div>78 </div>
78 <p><a·href="../../d1/d6b/a01775_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d1/d6b/a01775_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">80 <table·class="memberdecls">
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81 Classes</h2></td></tr>82 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbb/a06466.html">BALL::ElectrostaticPotentialCalculator</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d31/a07074.html">BALL::ResidueChecker</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd6/a06470.html">BALL::ElectrostaticPotentialCalculator::Option</a></td></tr> 
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d80/a06474.html">BALL::ElectrostaticPotentialCalculator::Default</a></td></tr> 
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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90 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d5/d8a/a04475.html">List·of·all·members</a>··</div>71 <a·href="../../d5/d8a/a04475.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::AtomContainerIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::AtomContainerIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/dbc/a00395_source.html">BALL/KERNEL/atomContainerIterator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d8a/a00599_source.html">BALL/KERNEL/atomContainerIterator.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::AtomContainerIteratorTraits:</div>77 Inheritance·diagram·for·BALL::AtomContainerIteratorTraits:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d1/d6c/a04478.png"·usemap="#BALL::AtomContainerIteratorTraits_map"·alt=""/>80 ··<img·src="../../d1/d6c/a04478.png"·usemap="#BALL::AtomContainerIteratorTraits_map"·alt=""/>
81 ··<map·id="BALL::AtomContainerIteratorTraits_map"·name="BALL::AtomContainerIteratorTraits_map">81 ··<map·id="BALL::AtomContainerIteratorTraits_map"·name="BALL::AtomContainerIteratorTraits_map">
82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,203,24"/>82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,203,24"/>
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184 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>184 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>
185 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<a·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">More...</a><br·/></td></tr>185 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<a·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">More...</a><br·/></td></tr>
186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
187 </table>187 </table>
188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
189 <div·class="textblock"><p·>Traits·class·for·the·AtomContainerIterators.·</p>189 <div·class="textblock"><p·>Traits·class·for·the·AtomContainerIterators.·</p>
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dbc/a00395_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../db/dbc/a00395_source.html">atomContainerIterator.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8a/a00599_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d5/d8a/a00599_source.html">atomContainerIterator.h</a>.</p>
191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
192 <a·id="ab9ce947fe84857f9b9575a0720c70a97"·name="ab9ce947fe84857f9b9575a0720c70a97"></a>192 <a·id="ab9ce947fe84857f9b9575a0720c70a97"·name="ab9ce947fe84857f9b9575a0720c70a97"></a>
193 <h2·class="memtitle"><span·class="permalink"><a·href="#ab9ce947fe84857f9b9575a0720c70a97">&#9670;&nbsp;</a></span>AtomContainerIteratorTraits()·<span·class="overload">[1/3]</span></h2>193 <h2·class="memtitle"><span·class="permalink"><a·href="#ab9ce947fe84857f9b9575a0720c70a97">&#9670;&nbsp;</a></span>AtomContainerIteratorTraits()·<span·class="overload">[1/3]</span></h2>
  
194 <div·class="memitem">194 <div·class="memitem">
195 <div·class="memproto">195 <div·class="memproto">
196 <table·class="mlabels">196 <table·class="mlabels">
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209 ··</td>209 ··</td>
210 ··<td·class="mlabels-right">210 ··<td·class="mlabels-right">
211 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>211 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
212 ··</tr>212 ··</tr>
213 </table>213 </table>
214 </div><div·class="memdoc">214 </div><div·class="memdoc">
  
215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dbc/a00395_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../db/dbc/a00395_source.html">atomContainerIterator.h</a>.</p>215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8a/a00599_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d5/d8a/a00599_source.html">atomContainerIterator.h</a>.</p>
  
216 </div>216 </div>
217 </div>217 </div>
218 <a·id="ab3883cad3440ceae3823a1c20776f51a"·name="ab3883cad3440ceae3823a1c20776f51a"></a>218 <a·id="ab3883cad3440ceae3823a1c20776f51a"·name="ab3883cad3440ceae3823a1c20776f51a"></a>
219 <h2·class="memtitle"><span·class="permalink"><a·href="#ab3883cad3440ceae3823a1c20776f51a">&#9670;&nbsp;</a></span>AtomContainerIteratorTraits()·<span·class="overload">[2/3]</span></h2>219 <h2·class="memtitle"><span·class="permalink"><a·href="#ab3883cad3440ceae3823a1c20776f51a">&#9670;&nbsp;</a></span>AtomContainerIteratorTraits()·<span·class="overload">[2/3]</span></h2>
  
220 <div·class="memitem">220 <div·class="memitem">
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237 ··</td>237 ··</td>
238 ··<td·class="mlabels-right">238 ··<td·class="mlabels-right">
239 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>239 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
240 ··</tr>240 ··</tr>
241 </table>241 </table>
242 </div><div·class="memdoc">242 </div><div·class="memdoc">
  
243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dbc/a00395_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../db/dbc/a00395_source.html">atomContainerIterator.h</a>.</p>243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8a/a00599_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d5/d8a/a00599_source.html">atomContainerIterator.h</a>.</p>
  
244 </div>244 </div>
245 </div>245 </div>
246 <a·id="ae66a54307a205f37e6b397ca9d51764c"·name="ae66a54307a205f37e6b397ca9d51764c"></a>246 <a·id="ae66a54307a205f37e6b397ca9d51764c"·name="ae66a54307a205f37e6b397ca9d51764c"></a>
247 <h2·class="memtitle"><span·class="permalink"><a·href="#ae66a54307a205f37e6b397ca9d51764c">&#9670;&nbsp;</a></span>AtomContainerIteratorTraits()·<span·class="overload">[3/3]</span></h2>247 <h2·class="memtitle"><span·class="permalink"><a·href="#ae66a54307a205f37e6b397ca9d51764c">&#9670;&nbsp;</a></span>AtomContainerIteratorTraits()·<span·class="overload">[3/3]</span></h2>
  
248 <div·class="memitem">248 <div·class="memitem">
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265 ··</td>265 ··</td>
266 ··<td·class="mlabels-right">266 ··<td·class="mlabels-right">
267 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>267 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
268 ··</tr>268 ··</tr>
269 </table>269 </table>
270 </div><div·class="memdoc">270 </div><div·class="memdoc">
  
271 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dbc/a00395_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../db/dbc/a00395_source.html">atomContainerIterator.h</a>.</p>271 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8a/a00599_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../d5/d8a/a00599_source.html">atomContainerIterator.h</a>.</p>
  
272 </div>272 </div>
273 </div>273 </div>
274 <h2·class="groupheader">Member·Function·Documentation</h2>274 <h2·class="groupheader">Member·Function·Documentation</h2>
275 <a·id="ae930d7a254082f4acf0f375631266b4e"·name="ae930d7a254082f4acf0f375631266b4e"></a>275 <a·id="ae930d7a254082f4acf0f375631266b4e"·name="ae930d7a254082f4acf0f375631266b4e"></a>
276 <h2·class="memtitle"><span·class="permalink"><a·href="#ae930d7a254082f4acf0f375631266b4e">&#9670;&nbsp;</a></span>operator=()</h2>276 <h2·class="memtitle"><span·class="permalink"><a·href="#ae930d7a254082f4acf0f375631266b4e">&#9670;&nbsp;</a></span>operator=()</h2>
  
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294 ··</td>294 ··</td>
295 ··<td·class="mlabels-right">295 ··<td·class="mlabels-right">
296 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>296 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
297 ··</tr>297 ··</tr>
298 </table>298 </table>
299 </div><div·class="memdoc">299 </div><div·class="memdoc">
  
300 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dbc/a00395_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../db/dbc/a00395_source.html">atomContainerIterator.h</a>.</p>300 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8a/a00599_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d5/d8a/a00599_source.html">atomContainerIterator.h</a>.</p>
  
301 </div>301 </div>
302 </div>302 </div>
303 <a·id="a46c7a62be39c1f48234cd2051ccafffe"·name="a46c7a62be39c1f48234cd2051ccafffe"></a>303 <a·id="a46c7a62be39c1f48234cd2051ccafffe"·name="a46c7a62be39c1f48234cd2051ccafffe"></a>
304 <h2·class="memtitle"><span·class="permalink"><a·href="#a46c7a62be39c1f48234cd2051ccafffe">&#9670;&nbsp;</a></span>resetPredicate()</h2>304 <h2·class="memtitle"><span·class="permalink"><a·href="#a46c7a62be39c1f48234cd2051ccafffe">&#9670;&nbsp;</a></span>resetPredicate()</h2>
  
305 <div·class="memitem">305 <div·class="memitem">
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321 ··</td>321 ··</td>
322 ··<td·class="mlabels-right">322 ··<td·class="mlabels-right">
323 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>323 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
324 ··</tr>324 ··</tr>
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326 </div><div·class="memdoc">326 </div><div·class="memdoc">
  
327 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dbc/a00395_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../db/dbc/a00395_source.html">atomContainerIterator.h</a>.</p>327 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8a/a00599_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../d5/d8a/a00599_source.html">atomContainerIterator.h</a>.</p>
  
328 </div>328 </div>
329 </div>329 </div>
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332 <hr·class="footer"/><address·class="footer"><small>332 <hr·class="footer"/><address·class="footer"><small>
333 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4333 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../dc/dc3/a08099.html">List·of·all·members</a>··</div>71 <a·href="../../dc/dc3/a08099.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::AtomDistanceColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::AtomDistanceColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/d35/a01184_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::AtomDistanceColorProcessor:</div>77 Inheritance·diagram·for·BALL::VIEW::AtomDistanceColorProcessor:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d1/d6d/a08102.png"·usemap="#BALL::VIEW::AtomDistanceColorProcessor_map"·alt=""/>80 ··<img·src="../../d1/d6d/a08102.png"·usemap="#BALL::VIEW::AtomDistanceColorProcessor_map"·alt=""/>
81 ··<map·id="BALL::VIEW::AtomDistanceColorProcessor_map"·name="BALL::VIEW::AtomDistanceColorProcessor_map">81 ··<map·id="BALL::VIEW::AtomDistanceColorProcessor_map"·name="BALL::VIEW::AtomDistanceColorProcessor_map">
82 <area·href="../../db/d56/a08042.html"·alt="BALL::VIEW::ColorProcessor"·shape="rect"·coords="0,112,364,136"/>82 <area·href="../../db/d56/a08042.html"·alt="BALL::VIEW::ColorProcessor"·shape="rect"·coords="0,112,364,136"/>
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234 <tr·class="separator:a3173044548dc6712c9c0b44ea584780b·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>234 <tr·class="separator:a3173044548dc6712c9c0b44ea584780b·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
235 <tr·class="memitem:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d56/a08042.html#a18059f4f928525494f82e367a40cab58">min_spacing_</a></td></tr>235 <tr·class="memitem:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d56/a08042.html#a18059f4f928525494f82e367a40cab58">min_spacing_</a></td></tr>
236 <tr·class="separator:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>236 <tr·class="separator:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
237 </table>237 </table>
238 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>238 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
239 <div·class="textblock"><p·><a·class="el"·href="../../d1/d6d/a08102.html">AtomDistanceColorProcessor</a>·class.·<a·class="el"·href="../../d1/d6d/a08102.html">AtomDistanceColorProcessor</a>·can·be·choosen·in·the·class·<a·class="el"·href="../../da/dde/a07566.html">DisplayProperties</a>·to·color·the·atoms·in·multiple·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·according·to·their·distance.·There·are·two·colors·for·the·distance·of·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·objects.·A·color·for·the·null·distance·and·a·color·for·the·max·distance.·If·a·distance·of·an·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object·to·another·atom·object·(stored·in·different·atom·containers)·lies·between·the·null·and·the·max·distance,·the·resulting·color·will·be·interpolated·according·to·the·distance.·</p>239 <div·class="textblock"><p·><a·class="el"·href="../../d1/d6d/a08102.html">AtomDistanceColorProcessor</a>·class.·<a·class="el"·href="../../d1/d6d/a08102.html">AtomDistanceColorProcessor</a>·can·be·choosen·in·the·class·<a·class="el"·href="../../da/dde/a07566.html">DisplayProperties</a>·to·color·the·atoms·in·multiple·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·according·to·their·distance.·There·are·two·colors·for·the·distance·of·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·objects.·A·color·for·the·null·distance·and·a·color·for·the·max·distance.·If·a·distance·of·an·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object·to·another·atom·object·(stored·in·different·atom·containers)·lies·between·the·null·and·the·max·distance,·the·resulting·color·will·be·interpolated·according·to·the·distance.·</p>
  
240 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00297">297</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>240 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00297">297</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
241 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>241 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
242 <a·id="a031b76d6fbad854544c8c91f75616a6e"·name="a031b76d6fbad854544c8c91f75616a6e"></a>242 <a·id="a031b76d6fbad854544c8c91f75616a6e"·name="a031b76d6fbad854544c8c91f75616a6e"></a>
243 <h2·class="memtitle"><span·class="permalink"><a·href="#a031b76d6fbad854544c8c91f75616a6e">&#9670;&nbsp;</a></span>AtomDistanceColorProcessor()·<span·class="overload">[1/2]</span></h2>243 <h2·class="memtitle"><span·class="permalink"><a·href="#a031b76d6fbad854544c8c91f75616a6e">&#9670;&nbsp;</a></span>AtomDistanceColorProcessor()·<span·class="overload">[1/2]</span></h2>
  
244 <div·class="memitem">244 <div·class="memitem">
245 <div·class="memproto">245 <div·class="memproto">
246 ······<table·class="memname">246 ······<table·class="memname">
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512 <p·>Change·the·max·distance.·Every·new·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object·is·inserted·into·the·<a·class="el"·href="../../d1/d6d/a08102.html">AtomDistanceColorProcessor</a>·with·this·max·distance.·If·the·method·<a·class="el"·href="../../d1/d6d/a08102.html#ae0a9ebe678a5a4cc8b614f2457013913">calculateDistances()</a>·is·called·the·distances·of·the·inserted·atoms·are·calculated.·</p><dl·class="params"><dt>Parameters</dt><dd>512 <p·>Change·the·max·distance.·Every·new·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object·is·inserted·into·the·<a·class="el"·href="../../d1/d6d/a08102.html">AtomDistanceColorProcessor</a>·with·this·max·distance.·If·the·method·<a·class="el"·href="../../d1/d6d/a08102.html#ae0a9ebe678a5a4cc8b614f2457013913">calculateDistances()</a>·is·called·the·distances·of·the·inserted·atoms·are·calculated.·</p><dl·class="params"><dt>Parameters</dt><dd>
513 ··<table·class="params">513 ··<table·class="params">
514 ····<tr><td·class="paramname">distance</td><td>the·new·max·distance·</td></tr>514 ····<tr><td·class="paramname">distance</td><td>the·new·max·distance·</td></tr>
515 ··</table>515 ··</table>
516 ··</dd>516 ··</dd>
517 </dl>517 </dl>
  
518 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00322">322</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>518 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00322">322</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
519 </div>519 </div>
520 </div>520 </div>
521 <a·id="af500ea2b57068a453e5ea82f4d26dadb"·name="af500ea2b57068a453e5ea82f4d26dadb"></a>521 <a·id="af500ea2b57068a453e5ea82f4d26dadb"·name="af500ea2b57068a453e5ea82f4d26dadb"></a>
522 <h2·class="memtitle"><span·class="permalink"><a·href="#af500ea2b57068a453e5ea82f4d26dadb">&#9670;&nbsp;</a></span>setMaxDistanceColor()</h2>522 <h2·class="memtitle"><span·class="permalink"><a·href="#af500ea2b57068a453e5ea82f4d26dadb">&#9670;&nbsp;</a></span>setMaxDistanceColor()</h2>
  
523 <div·class="memitem">523 <div·class="memitem">
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598 ··</td>598 ··</td>
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600 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>600 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
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604 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00389">389</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>604 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00389">389</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
605 </div>605 </div>
606 </div>606 </div>
607 <a·id="a22f1ae1b3b78b732d756cfd8d84f8d15"·name="a22f1ae1b3b78b732d756cfd8d84f8d15"></a>607 <a·id="a22f1ae1b3b78b732d756cfd8d84f8d15"·name="a22f1ae1b3b78b732d756cfd8d84f8d15"></a>
608 <h2·class="memtitle"><span·class="permalink"><a·href="#a22f1ae1b3b78b732d756cfd8d84f8d15">&#9670;&nbsp;</a></span>showSelected()</h2>608 <h2·class="memtitle"><span·class="permalink"><a·href="#a22f1ae1b3b78b732d756cfd8d84f8d15">&#9670;&nbsp;</a></span>showSelected()</h2>
  
609 <div·class="memitem">609 <div·class="memitem">
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625 ··</td>625 ··</td>
626 ··<td·class="mlabels-right">626 ··<td·class="mlabels-right">
627 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>627 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
628 ··</tr>628 ··</tr>
629 </table>629 </table>
630 </div><div·class="memdoc">630 </div><div·class="memdoc">
  
631 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00386">386</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>631 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00386">386</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
632 </div>632 </div>
633 </div>633 </div>
634 </div><!--·contents·-->634 </div><!--·contents·-->
635 <!--·start·footer·part·-->635 <!--·start·footer·part·-->
636 <hr·class="footer"/><address·class="footer"><small>636 <hr·class="footer"/><address·class="footer"><small>
637 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4637 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../de/dd6/a07151.html">List·of·all·members</a>··</div>71 <a·href="../../de/dd6/a07151.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::SDGenerator::AtomComparator·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SDGenerator::AtomComparator·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/STRUCTURE/sdGenerator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/da8/a01865_source.html">BALL/STRUCTURE/sdGenerator.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:ab34b1035fffcf8525cd08b39f7cd1f0c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d77/a07154.html#ab34b1035fffcf8525cd08b39f7cd1f0c">operator()</a>·(<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·const·*first,·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·const·*second)·const</td></tr>79 <tr·class="memitem:ab34b1035fffcf8525cd08b39f7cd1f0c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d77/a07154.html#ab34b1035fffcf8525cd08b39f7cd1f0c">operator()</a>·(<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·const·*first,·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·const·*second)·const</td></tr>
80 <tr·class="separator:ab34b1035fffcf8525cd08b39f7cd1f0c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:ab34b1035fffcf8525cd08b39f7cd1f0c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 </table>81 </table>
82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock"><p·>A·nested·class·for·our·atom·priorization·</p>83 <div·class="textblock"><p·>A·nested·class·for·our·atom·priorization·</p>
  
84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00127">127</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">sdGenerator.h</a>.</p>84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00127">127</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">sdGenerator.h</a>.</p>
85 </div><h2·class="groupheader">Member·Function·Documentation</h2>85 </div><h2·class="groupheader">Member·Function·Documentation</h2>
86 <a·id="ab34b1035fffcf8525cd08b39f7cd1f0c"·name="ab34b1035fffcf8525cd08b39f7cd1f0c"></a>86 <a·id="ab34b1035fffcf8525cd08b39f7cd1f0c"·name="ab34b1035fffcf8525cd08b39f7cd1f0c"></a>
87 <h2·class="memtitle"><span·class="permalink"><a·href="#ab34b1035fffcf8525cd08b39f7cd1f0c">&#9670;&nbsp;</a></span>operator()()</h2>87 <h2·class="memtitle"><span·class="permalink"><a·href="#ab34b1035fffcf8525cd08b39f7cd1f0c">&#9670;&nbsp;</a></span>operator()()</h2>
  
88 <div·class="memitem">88 <div·class="memitem">
89 <div·class="memproto">89 <div·class="memproto">
90 <table·class="mlabels">90 <table·class="mlabels">
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115 ··</td>115 ··</td>
116 ··<td·class="mlabels-right">116 ··<td·class="mlabels-right">
117 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>117 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
118 ··</tr>118 ··</tr>
119 </table>119 </table>
120 </div><div·class="memdoc">120 </div><div·class="memdoc">
  
121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">sdGenerator.h</a>.</p>121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">sdGenerator.h</a>.</p>
  
122 </div>122 </div>
123 </div>123 </div>
124 </div><!--·contents·-->124 </div><!--·contents·-->
125 <!--·start·footer·part·-->125 <!--·start·footer·part·-->
126 <hr·class="footer"/><address·class="footer"><small>126 <hr·class="footer"/><address·class="footer"><small>
127 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4127 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../df/ddf/a03711.html">List·of·all·members</a>··</div>71 <a·href="../../df/ddf/a03711.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Result::ResultData·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Result::ResultData·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dd/de6/a00548_source.html">BALL/DOCKING/COMMON/result.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dc/dbf/a01595_source.html">BALL/DOCKING/COMMON/result.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:a40ebe7b3826cd1ebeff0355d8b113c9f"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d78/a03714.html#a40ebe7b3826cd1ebeff0355d8b113c9f">ResultData</a>·()</td></tr>79 <tr·class="memitem:a40ebe7b3826cd1ebeff0355d8b113c9f"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d78/a03714.html#a40ebe7b3826cd1ebeff0355d8b113c9f">ResultData</a>·()</td></tr>
80 <tr·class="separator:a40ebe7b3826cd1ebeff0355d8b113c9f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a40ebe7b3826cd1ebeff0355d8b113c9f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a433fca6ce4efbff41ce1b276a95514c3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d78/a03714.html#a433fca6ce4efbff41ce1b276a95514c3">ResultData</a>·(int·result_type)</td></tr>81 <tr·class="memitem:a433fca6ce4efbff41ce1b276a95514c3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d78/a03714.html#a433fca6ce4efbff41ce1b276a95514c3">ResultData</a>·(int·result_type)</td></tr>
82 <tr·class="separator:a433fca6ce4efbff41ce1b276a95514c3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a433fca6ce4efbff41ce1b276a95514c3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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114 <tr·class="memitem:a9e1dec138a239b028e86202e3dc8523a"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d78/a03714.html#a9e1dec138a239b028e86202e3dc8523a">setConformation</a>·(<a·class="el"·href="../../d8/d71/a03626.html">Conformation</a>·*conf)</td></tr>114 <tr·class="memitem:a9e1dec138a239b028e86202e3dc8523a"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d78/a03714.html#a9e1dec138a239b028e86202e3dc8523a">setConformation</a>·(<a·class="el"·href="../../d8/d71/a03626.html">Conformation</a>·*conf)</td></tr>
115 <tr·class="separator:a9e1dec138a239b028e86202e3dc8523a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>115 <tr·class="separator:a9e1dec138a239b028e86202e3dc8523a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
116 <tr·class="memitem:a6fb905c59217887952402a268a601b94"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/d71/a03626.html">Conformation</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d78/a03714.html#a6fb905c59217887952402a268a601b94">getConformation</a>·()</td></tr>116 <tr·class="memitem:a6fb905c59217887952402a268a601b94"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/d71/a03626.html">Conformation</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d78/a03714.html#a6fb905c59217887952402a268a601b94">getConformation</a>·()</td></tr>
117 <tr·class="separator:a6fb905c59217887952402a268a601b94"><td·class="memSeparator"·colspan="2">&#160;</td></tr>117 <tr·class="separator:a6fb905c59217887952402a268a601b94"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
118 </table>118 </table>
119 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>119 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
120 <div·class="textblock">120 <div·class="textblock">
121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de6/a00548_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../dd/de6/a00548_source.html">result.h</a>.</p>121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dbf/a01595_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../dc/dbf/a01595_source.html">result.h</a>.</p>
122 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>122 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
123 <a·id="a40ebe7b3826cd1ebeff0355d8b113c9f"·name="a40ebe7b3826cd1ebeff0355d8b113c9f"></a>123 <a·id="a40ebe7b3826cd1ebeff0355d8b113c9f"·name="a40ebe7b3826cd1ebeff0355d8b113c9f"></a>
124 <h2·class="memtitle"><span·class="permalink"><a·href="#a40ebe7b3826cd1ebeff0355d8b113c9f">&#9670;&nbsp;</a></span>ResultData()·<span·class="overload">[1/2]</span></h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#a40ebe7b3826cd1ebeff0355d8b113c9f">&#9670;&nbsp;</a></span>ResultData()·<span·class="overload">[1/2]</span></h2>
  
125 <div·class="memitem">125 <div·class="memitem">
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7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·peakList.h·File·Reference</title>8 <title>BALL:·nonlinearModel.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">peakList.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">nonlinearModel.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/da8/a00437_source.html">BALL/NMR/peak.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/df8/a00440_source.html">BALL/QSAR/regressionModel.h</a>&gt;</code><br·/>
75 </div>75 </div>
76 <p><a·href="../../d1/d7e/a00434_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d1/d7e/a00434_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>79 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d29/a05518.html">BALL::PeakList&lt;·PT·&gt;</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d95/a05786.html">BALL::QSAR::NonLinearModel</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
84 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 87 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>
87 </table><table·class="memberdecls"> 
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
89 Typedefs</h2></td></tr> 
90 <tr><td·colspan="2"><div·class="groupHeader">Standard·typedefs</div></td></tr> 
91 <tr><td·colspan="2"><div·class="groupText"><p·>&lt;&gt;·</p> 
92 </div></td></tr> 
93 <tr·class="memitem:a147b02dc6fe8db6d8e0a607b551f3ab7"><td·class="memItemLeft"·align="right"·valign="top">typedef·PeakList&lt;·Peak&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a147b02dc6fe8db6d8e0a607b551f3ab7">BALL::PeakList1D</a></td></tr> 
94 <tr·class="memdesc:a147b02dc6fe8db6d8e0a607b551f3ab7"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">1D·peak·list··<a·href="../../da/da2/a02217.html#a147b02dc6fe8db6d8e0a607b551f3ab7">More...</a><br·/></td></tr> 
95 <tr·class="separator:a147b02dc6fe8db6d8e0a607b551f3ab7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 <tr·class="memitem:afa5217338072cf3e3bd6c861e2e39c95"><td·class="memItemLeft"·align="right"·valign="top">typedef·PeakList&lt;·Peak&lt;·Vector2·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#afa5217338072cf3e3bd6c861e2e39c95">BALL::PeakList2D</a></td></tr> 
97 <tr·class="memdesc:afa5217338072cf3e3bd6c861e2e39c95"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">2D·peak·list··<a·href="../../da/da2/a02217.html#afa5217338072cf3e3bd6c861e2e39c95">More...</a><br·/></td></tr> 
98 <tr·class="separator:afa5217338072cf3e3bd6c861e2e39c95"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
99 <tr·class="memitem:a837700ec6ab4be3bf83509e44e0844c5"><td·class="memItemLeft"·align="right"·valign="top">typedef·PeakList&lt;·Peak&lt;·Vector3·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a837700ec6ab4be3bf83509e44e0844c5">BALL::PeakList3D</a></td></tr> 
100 <tr·class="memdesc:a837700ec6ab4be3bf83509e44e0844c5"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">3D·peak·list··<a·href="../../da/da2/a02217.html#a837700ec6ab4be3bf83509e44e0844c5">More...</a><br·/></td></tr> 
101 <tr·class="separator:a837700ec6ab4be3bf83509e44e0844c5"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 </table>89 </table>
103 </div><!--·contents·-->90 </div><!--·contents·-->
104 <!--·start·footer·part·-->91 <!--·start·footer·part·-->
105 <hr·class="footer"/><address·class="footer"><small>92 <hr·class="footer"/><address·class="footer"><small>
106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.493 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
107 </small></address>94 </small></address>
108 </body>95 </body>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../dd/d07/a04743.html">List·of·all·members</a>··</div>71 <a·href="../../dd/d07/a04743.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Sp2HybridizedPredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Sp2HybridizedPredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
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74 <a·href="../../dc/d34/a08451.html">List·of·all·members</a>··</div>74 <a·href="../../dc/d34/a08451.html">List·of·all·members</a>··</div>
75 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PropEditorWidget·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>75 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PropEditorWidget·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
76 </div><!--header-->76 </div><!--header-->
77 <div·class="contents">77 <div·class="contents">
  
78 <p><code>#include·&lt;<a·class="el"·href="../../d7/def/a01538_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
80 Inheritance·diagram·for·BALL::VIEW::PropEditorWidget:</div>80 Inheritance·diagram·for·BALL::VIEW::PropEditorWidget:</div>
81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../d1/d8b/a08454.png"·usemap="#BALL::VIEW::PropEditorWidget_map"·alt=""/>83 ··<img·src="../../d1/d8b/a08454.png"·usemap="#BALL::VIEW::PropEditorWidget_map"·alt=""/>
84 ··<map·id="BALL::VIEW::PropEditorWidget_map"·name="BALL::VIEW::PropEditorWidget_map">84 ··<map·id="BALL::VIEW::PropEditorWidget_map"·name="BALL::VIEW::PropEditorWidget_map">
85 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,203,24"/>85 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,203,24"/>
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138 <tr·class="separator:a46403e234f863163cb9af4c8641d036b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a46403e234f863163cb9af4c8641d036b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a7966a2071c642020d77e2fa614507787"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>139 <tr·class="memitem:a7966a2071c642020d77e2fa614507787"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>
140 <tr·class="separator:a7966a2071c642020d77e2fa614507787"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a7966a2071c642020d77e2fa614507787"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p·>Abstract·baseclass·for·widgets·providing·editor·capability·for·a·single·<a·class="el"·href="../../d6/d18/a03350.html">NamedProperty</a>·If·you·wish·to·provide·you·own·property·editor·you·need·to·inherit·from·this·class.·</p>143 <div·class="textblock"><p·>Abstract·baseclass·for·widgets·providing·editor·capability·for·a·single·<a·class="el"·href="../../d6/d18/a03350.html">NamedProperty</a>·If·you·wish·to·provide·you·own·property·editor·you·need·to·inherit·from·this·class.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">propertyEditor.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="a34a74ae138bdd5f459df2d15d4f4e2b9"·name="a34a74ae138bdd5f459df2d15d4f4e2b9"></a>146 <a·id="a34a74ae138bdd5f459df2d15d4f4e2b9"·name="a34a74ae138bdd5f459df2d15d4f4e2b9"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a34a74ae138bdd5f459df2d15d4f4e2b9">&#9670;&nbsp;</a></span>PropEditorWidget()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a34a74ae138bdd5f459df2d15d4f4e2b9">&#9670;&nbsp;</a></span>PropEditorWidget()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
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546 ··</td>546 ··</td>
547 ··<td·class="mlabels-right">547 ··<td·class="mlabels-right">
548 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>548 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
549 ··</tr>549 ··</tr>
550 </table>550 </table>
551 </div><div·class="memdoc">551 </div><div·class="memdoc">
  
552 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">propertyEditor.h</a>.</p>552 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
  
553 </div>553 </div>
554 </div>554 </div>
555 <a·id="a7966a2071c642020d77e2fa614507787"·name="a7966a2071c642020d77e2fa614507787"></a>555 <a·id="a7966a2071c642020d77e2fa614507787"·name="a7966a2071c642020d77e2fa614507787"></a>
556 <h2·class="memtitle"><span·class="permalink"><a·href="#a7966a2071c642020d77e2fa614507787">&#9670;&nbsp;</a></span>ui_</h2>556 <h2·class="memtitle"><span·class="permalink"><a·href="#a7966a2071c642020d77e2fa614507787">&#9670;&nbsp;</a></span>ui_</h2>
  
557 <div·class="memitem">557 <div·class="memitem">
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570 ··</td>570 ··</td>
571 ··<td·class="mlabels-right">571 ··<td·class="mlabels-right">
572 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>572 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
573 ··</tr>573 ··</tr>
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576 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">propertyEditor.h</a>.</p>576 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
  
577 </div>577 </div>
578 </div>578 </div>
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580 <!--·start·footer·part·-->580 <!--·start·footer·part·-->
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582 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4582 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../dd/de8/a06223.html">List·of·all·members</a>··</div>71 <a·href="../../dd/de8/a06223.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::CHPI·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::CHPI·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/SCORING/COMPONENTS/CHPI.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/d14/a02066_source.html">BALL/SCORING/COMPONENTS/CHPI.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::CHPI:</div>77 Inheritance·diagram·for·BALL::CHPI:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d1/d8c/a06226.png"·usemap="#BALL::CHPI_map"·alt=""/>80 ··<img·src="../../d1/d8c/a06226.png"·usemap="#BALL::CHPI_map"·alt=""/>
81 ··<map·id="BALL::CHPI_map"·name="BALL::CHPI_map">81 ··<map·id="BALL::CHPI_map"·name="BALL::CHPI_map">
82 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>82 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
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210 <tr·class="separator:ac9dea80f76341d127c477b53221c1462·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>210 <tr·class="separator:ac9dea80f76341d127c477b53221c1462·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
211 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>211 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>
212 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>212 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
213 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>213 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
214 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>214 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
215 </table>215 </table>
216 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>216 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
217 <div·class="textblock"><p·>SLICK·ringstacking·component.·{\bf·Definition:}·\URL{<a·class="el"·href="../../de/db1/a00197.html">BALL/SCORING/COMPONENTS/CHPI.h</a>}·</p>217 <div·class="textblock"><p·>SLICK·ringstacking·component.·{\bf·Definition:}·\URL{<a·class="el"·href="../../da/d14/a02066.html">BALL/SCORING/COMPONENTS/CHPI.h</a>}·</p>
  
218 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">CHPI.h</a>.</p>218 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d14/a02066_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../da/d14/a02066_source.html">CHPI.h</a>.</p>
219 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>219 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
220 <a·id="a99c4ca336b1f14237f440dedf7081e52"·name="a99c4ca336b1f14237f440dedf7081e52"></a>220 <a·id="a99c4ca336b1f14237f440dedf7081e52"·name="a99c4ca336b1f14237f440dedf7081e52"></a>
221 <h2·class="memtitle"><span·class="permalink"><a·href="#a99c4ca336b1f14237f440dedf7081e52">&#9670;&nbsp;</a></span>CHPI()·<span·class="overload">[1/3]</span></h2>221 <h2·class="memtitle"><span·class="permalink"><a·href="#a99c4ca336b1f14237f440dedf7081e52">&#9670;&nbsp;</a></span>CHPI()·<span·class="overload">[1/3]</span></h2>
  
222 <div·class="memitem">222 <div·class="memitem">
223 <div·class="memproto">223 <div·class="memproto">
224 ······<table·class="memname">224 ······<table·class="memname">
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490 ······<table·class="memname">490 ······<table·class="memname">
491 ········<tr>491 ········<tr>
492 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::CHPI::options</td>492 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::CHPI::options</td>
493 ········</tr>493 ········</tr>
494 ······</table>494 ······</table>
495 </div><div·class="memdoc">495 </div><div·class="memdoc">
  
496 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00239">239</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">CHPI.h</a>.</p>496 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d14/a02066_source.html#l00239">239</a>·of·file·<a·class="el"·href="../../da/d14/a02066_source.html">CHPI.h</a>.</p>
  
497 </div>497 </div>
498 </div>498 </div>
499 </div><!--·contents·-->499 </div><!--·contents·-->
500 <!--·start·footer·part·-->500 <!--·start·footer·part·-->
501 <hr·class="footer"/><address·class="footer"><small>501 <hr·class="footer"/><address·class="footer"><small>
502 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4502 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">atomVector.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">resourceFile.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d3/d13/a00836_source.html">BALL/CONCEPT/forwardIterator.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../df/d0e/a00800_source.html">BALL/CONCEPT/visitor.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/CONCEPT/autoDeletable.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>78 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;BALL/FORMAT/resourceFile.iC&gt;</code><br·/>
76 </div>81 </div>
77 <p><a·href="../../d1/d93/a00875_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../d1/d93/a00875_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">83 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>85 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d59/a05062.html">BALL::AtomVector</a></td></tr>86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de5/a04426.html">BALL::ResourceEntry</a></td></tr>
 87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d36/a04430.html">BALL::ResourceEntry::IteratorTraits_</a></td></tr>
 89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d10/a04434.html">BALL::ResourceFile</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table><table·class="memberdecls">92 </table><table·class="memberdecls">
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86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d1/d19/a05651.html">List·of·all·members</a>··</div>70 <a·href="../../d1/d19/a05651.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::ConnectivityBase·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::ConnectivityBase·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../da/d14/a02066_source.html">BALL/QSAR/connectivityBase.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/QSAR/connectivityBase.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::ConnectivityBase:</div>76 Inheritance·diagram·for·BALL::ConnectivityBase:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d1/d96/a05654.png"·usemap="#BALL::ConnectivityBase_map"·alt=""/>79 ··<img·src="../../d1/d96/a05654.png"·usemap="#BALL::ConnectivityBase_map"·alt=""/>
80 ··<map·id="BALL::ConnectivityBase_map"·name="BALL::ConnectivityBase_map">80 ··<map·id="BALL::ConnectivityBase_map"·name="BALL::ConnectivityBase_map">
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169 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>169 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
170 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>170 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
171 </table>171 </table>
172 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>172 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
173 <div·class="textblock"><p·>Generic·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·molecular·connectivity·descriptors·class·\·</p>173 <div·class="textblock"><p·>Generic·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·molecular·connectivity·descriptors·class·\·</p>
  
174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d14/a02066_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../da/d14/a02066_source.html">connectivityBase.h</a>.</p>174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/def/a00359_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d4/def/a00359_source.html">connectivityBase.h</a>.</p>
175 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>175 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
176 <a·id="a201d58e009ea84b1e1b69e81c954f1c0"·name="a201d58e009ea84b1e1b69e81c954f1c0"></a>176 <a·id="a201d58e009ea84b1e1b69e81c954f1c0"·name="a201d58e009ea84b1e1b69e81c954f1c0"></a>
177 <h2·class="memtitle"><span·class="permalink"><a·href="#a201d58e009ea84b1e1b69e81c954f1c0">&#9670;&nbsp;</a></span>ConnectivityBase()·<span·class="overload">[1/4]</span></h2>177 <h2·class="memtitle"><span·class="permalink"><a·href="#a201d58e009ea84b1e1b69e81c954f1c0">&#9670;&nbsp;</a></span>ConnectivityBase()·<span·class="overload">[1/4]</span></h2>
  
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72 ··<div·class="headertitle"><div·class="title">BALL::PTE_::SymbolToElement·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PTE_::SymbolToElement·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d93/a00341_source.html">BALL/KERNEL/PTE.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/de5/a00503_source.html">BALL/KERNEL/PTE.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:ab673e45913dec6e0515030f9f7a59c9e"><td·class="memItemLeft"·align="right"·valign="top">const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d9a/a04618.html#ab673e45913dec6e0515030f9f7a59c9e">symbol</a></td></tr>79 <tr·class="memitem:ab673e45913dec6e0515030f9f7a59c9e"><td·class="memItemLeft"·align="right"·valign="top">const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d9a/a04618.html#ab673e45913dec6e0515030f9f7a59c9e">symbol</a></td></tr>
80 <tr·class="separator:ab673e45913dec6e0515030f9f7a59c9e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:ab673e45913dec6e0515030f9f7a59c9e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a5db56398cea78c238f1a20896ebef763"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d9/d98/a04610.html">Element</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d9a/a04618.html#a5db56398cea78c238f1a20896ebef763">element</a></td></tr>81 <tr·class="memitem:a5db56398cea78c238f1a20896ebef763"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d9/d98/a04610.html">Element</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d9a/a04618.html#a5db56398cea78c238f1a20896ebef763">element</a></td></tr>
82 <tr·class="separator:a5db56398cea78c238f1a20896ebef763"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a5db56398cea78c238f1a20896ebef763"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock">85 <div·class="textblock">
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d93/a00341_source.html#l00768">768</a>·of·file·<a·class="el"·href="../../d3/d93/a00341_source.html">PTE.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/de5/a00503_source.html#l00768">768</a>·of·file·<a·class="el"·href="../../d4/de5/a00503_source.html">PTE.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
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89 <h2·class="memtitle"><span·class="permalink"><a·href="#a5db56398cea78c238f1a20896ebef763">&#9670;&nbsp;</a></span>element</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#a5db56398cea78c238f1a20896ebef763">&#9670;&nbsp;</a></span>element</h2>
  
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95 ········</tr>95 ········</tr>
96 ······</table>96 ······</table>
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98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d93/a00341_source.html#l00774">774</a>·of·file·<a·class="el"·href="../../d3/d93/a00341_source.html">PTE.h</a>.</p>98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/de5/a00503_source.html#l00774">774</a>·of·file·<a·class="el"·href="../../d4/de5/a00503_source.html">PTE.h</a>.</p>
  
99 </div>99 </div>
100 </div>100 </div>
101 <a·id="ab673e45913dec6e0515030f9f7a59c9e"·name="ab673e45913dec6e0515030f9f7a59c9e"></a>101 <a·id="ab673e45913dec6e0515030f9f7a59c9e"·name="ab673e45913dec6e0515030f9f7a59c9e"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#ab673e45913dec6e0515030f9f7a59c9e">&#9670;&nbsp;</a></span>symbol</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#ab673e45913dec6e0515030f9f7a59c9e">&#9670;&nbsp;</a></span>symbol</h2>
  
103 <div·class="memitem">103 <div·class="memitem">
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112 ··········<td·class="memname">const·char*·BALL::PTE_::SymbolToElement::symbol</td>112 ··········<td·class="memname">const·char*·BALL::PTE_::SymbolToElement::symbol</td>
113 ········</tr>113 ········</tr>
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115 </div><div·class="memdoc">115 </div><div·class="memdoc">
  
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d2/dea/a05863.html">List·of·all·members</a>··</div>70 <a·href="../../d2/dea/a05863.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::RRModel·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::RRModel·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d3/d59/a01973_source.html">BALL/QSAR/rrModel.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../da/dee/a00383_source.html">BALL/QSAR/rrModel.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::QSAR::RRModel:</div>76 Inheritance·diagram·for·BALL::QSAR::RRModel:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d1/d9a/a05866.png"·usemap="#BALL::QSAR::RRModel_map"·alt=""/>79 ··<img·src="../../d1/d9a/a05866.png"·usemap="#BALL::QSAR::RRModel_map"·alt=""/>
80 ··<map·id="BALL::QSAR::RRModel_map"·name="BALL::QSAR::RRModel_map">80 ··<map·id="BALL::QSAR::RRModel_map"·name="BALL::QSAR::RRModel_map">
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241 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>241 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>
242 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>242 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
243 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>243 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
244 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>244 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
245 </table>245 </table>
246 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>246 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
247 <div·class="textblock">247 <div·class="textblock">
248 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d59/a01973_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d3/d59/a01973_source.html">rrModel.h</a>.</p>248 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dee/a00383_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../da/dee/a00383_source.html">rrModel.h</a>.</p>
249 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>249 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
250 <a·id="a29ba91d69eb4f67c47b2b642f12adac0"·name="a29ba91d69eb4f67c47b2b642f12adac0"></a>250 <a·id="a29ba91d69eb4f67c47b2b642f12adac0"·name="a29ba91d69eb4f67c47b2b642f12adac0"></a>
251 <h2·class="memtitle"><span·class="permalink"><a·href="#a29ba91d69eb4f67c47b2b642f12adac0">&#9670;&nbsp;</a></span>RRModel()</h2>251 <h2·class="memtitle"><span·class="permalink"><a·href="#a29ba91d69eb4f67c47b2b642f12adac0">&#9670;&nbsp;</a></span>RRModel()</h2>
  
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../de/d38/a06447.html">List·of·all·members</a>··</div>71 <a·href="../../de/d38/a06447.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::SLICKScore·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SLICKScore·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d0f/a00308_source.html">BALL/SCORING/FUNCTIONS/slickScore.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d8/d45/a02021_source.html">BALL/SCORING/FUNCTIONS/slickScore.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::SLICKScore:</div>77 Inheritance·diagram·for·BALL::SLICKScore:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d1/d9c/a06450.png"·usemap="#BALL::SLICKScore_map"·alt=""/>80 ··<img·src="../../d1/d9c/a06450.png"·usemap="#BALL::SLICKScore_map"·alt=""/>
81 ··<map·id="BALL::SLICKScore_map"·name="BALL::SLICKScore_map">81 ··<map·id="BALL::SLICKScore_map"·name="BALL::SLICKScore_map">
82 <area·href="../../d0/d64/a06166.html"·alt="BALL::ScoringFunction"·shape="rect"·coords="0,0,142,24"/>82 <area·href="../../d0/d64/a06166.html"·alt="BALL::ScoringFunction"·shape="rect"·coords="0,0,142,24"/>
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416 <tr·class="separator:a197f72cc13fbc6595eaf67b7544c6f7e·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>416 <tr·class="separator:a197f72cc13fbc6595eaf67b7544c6f7e·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
417 <tr·class="memitem:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a6884ad80f5b4a53ac9075b09e080488c">rotatable_ligand_bonds_</a>·{}</td></tr>417 <tr·class="memitem:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a6884ad80f5b4a53ac9075b09e080488c">rotatable_ligand_bonds_</a>·{}</td></tr>
418 <tr·class="separator:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>418 <tr·class="separator:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
419 <tr·class="memitem:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·list&lt;·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a1b984092e5214e6adbd1cdf8b6b62976">flexres_org_positions_</a>·{}</td></tr>419 <tr·class="memitem:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·list&lt;·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a1b984092e5214e6adbd1cdf8b6b62976">flexres_org_positions_</a>·{}</td></tr>
420 <tr·class="separator:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>420 <tr·class="separator:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
421 </table>421 </table>
422 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>422 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
423 <div·class="textblock"><p·><a·class="el"·href="../../d5/d8c/a06438.html">SLICKEnergy</a>·scoring·function·{\bf·Definition:}·\URL{<a·class="el"·href="../../d5/d0f/a00308.html">BALL/SCORING/FUNCTIONS/slickScore.h</a>}·</p>423 <div·class="textblock"><p·><a·class="el"·href="../../d5/d8c/a06438.html">SLICKEnergy</a>·scoring·function·{\bf·Definition:}·\URL{<a·class="el"·href="../../d8/d45/a02021.html">BALL/SCORING/FUNCTIONS/slickScore.h</a>}·</p>
  
424 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00308_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d5/d0f/a00308_source.html">slickScore.h</a>.</p>424 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
425 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>425 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
426 <a·id="a602700457a7ff6a0b627c72ab65b44fb"·name="a602700457a7ff6a0b627c72ab65b44fb"></a>426 <a·id="a602700457a7ff6a0b627c72ab65b44fb"·name="a602700457a7ff6a0b627c72ab65b44fb"></a>
427 <h2·class="memtitle"><span·class="permalink"><a·href="#a602700457a7ff6a0b627c72ab65b44fb">&#9670;&nbsp;</a></span>SLICKScore()·<span·class="overload">[1/3]</span></h2>427 <h2·class="memtitle"><span·class="permalink"><a·href="#a602700457a7ff6a0b627c72ab65b44fb">&#9670;&nbsp;</a></span>SLICKScore()·<span·class="overload">[1/3]</span></h2>
  
428 <div·class="memitem">428 <div·class="memitem">
429 <div·class="memproto">429 <div·class="memproto">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../dd/de0/a05711.html">List·of·all·members</a>··</div>71 <a·href="../../dd/de0/a05711.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::ConfigurationReadingError·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::ConfigurationReadingError·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/d51/a20335_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::QSAR::Exception::ConfigurationReadingError:</div>77 Inheritance·diagram·for·BALL::QSAR::Exception::ConfigurationReadingError:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d1/d9f/a05714.png"·usemap="#BALL::QSAR::Exception::ConfigurationReadingError_map"·alt=""/>80 ··<img·src="../../d1/d9f/a05714.png"·usemap="#BALL::QSAR::Exception::ConfigurationReadingError_map"·alt=""/>
81 ··<map·id="BALL::QSAR::Exception::ConfigurationReadingError_map"·name="BALL::QSAR::Exception::ConfigurationReadingError_map">81 ··<map·id="BALL::QSAR::Exception::ConfigurationReadingError_map"·name="BALL::QSAR::Exception::ConfigurationReadingError_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,303,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,303,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>exception·that·is·thrown·when·parameters·are·missing·or·incorrect·within·an·config-file·section·</p>136 <div·class="textblock"><p·>exception·that·is·thrown·when·parameters·are·missing·or·incorrect·within·an·config-file·section·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d51/a20335_source.html#l00103">103</a>·of·file·<a·class="el"·href="../../db/d51/a20335_source.html">QSAR/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00103">103</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="a07d0c9175a7d2c102c210597fad0367f"·name="a07d0c9175a7d2c102c210597fad0367f"></a>139 <a·id="a07d0c9175a7d2c102c210597fad0367f"·name="a07d0c9175a7d2c102c210597fad0367f"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a07d0c9175a7d2c102c210597fad0367f">&#9670;&nbsp;</a></span>ConfigurationReadingError()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a07d0c9175a7d2c102c210597fad0367f">&#9670;&nbsp;</a></span>ConfigurationReadingError()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
142 <div·class="memproto">142 <div·class="memproto">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d4/df0/a03763.html">List·of·all·members</a>··</div>71 <a·href="../../d4/df0/a03763.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::GeneticIndividual·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::GeneticIndividual·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/de5/a00503_source.html">BALL/DOCKING/GENETICDOCK/geneticIndividual.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dc/d93/a01535_source.html">BALL/DOCKING/GENETICDOCK/geneticIndividual.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:a73285c5e8f6a1b57b38e3f68e04affe8"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a03766.html#a73285c5e8f6a1b57b38e3f68e04affe8">GeneticIndividual</a>·()</td></tr>79 <tr·class="memitem:a73285c5e8f6a1b57b38e3f68e04affe8"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a03766.html#a73285c5e8f6a1b57b38e3f68e04affe8">GeneticIndividual</a>·()</td></tr>
80 <tr·class="separator:a73285c5e8f6a1b57b38e3f68e04affe8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a73285c5e8f6a1b57b38e3f68e04affe8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:aee5b81336b6829a28679e5069370e61e"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a03766.html#aee5b81336b6829a28679e5069370e61e">GeneticIndividual</a>·(const·<a·class="el"·href="../../d1/da4/a03766.html">GeneticIndividual</a>·&amp;gi)</td></tr>81 <tr·class="memitem:aee5b81336b6829a28679e5069370e61e"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a03766.html#aee5b81336b6829a28679e5069370e61e">GeneticIndividual</a>·(const·<a·class="el"·href="../../d1/da4/a03766.html">GeneticIndividual</a>·&amp;gi)</td></tr>
82 <tr·class="separator:aee5b81336b6829a28679e5069370e61e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:aee5b81336b6829a28679e5069370e61e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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108 <tr·class="memitem:ae6773adcf9a73a809886ceb4b3fb68e4"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a03766.html#ae6773adcf9a73a809886ceb4b3fb68e4">setMutated</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>)</td></tr>108 <tr·class="memitem:ae6773adcf9a73a809886ceb4b3fb68e4"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a03766.html#ae6773adcf9a73a809886ceb4b3fb68e4">setMutated</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>)</td></tr>
109 <tr·class="separator:ae6773adcf9a73a809886ceb4b3fb68e4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>109 <tr·class="separator:ae6773adcf9a73a809886ceb4b3fb68e4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
110 <tr·class="memitem:a03f524d8ecaceb16f8b71809bdfd3bef"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a03766.html#a03f524d8ecaceb16f8b71809bdfd3bef">randomize</a>·()</td></tr>110 <tr·class="memitem:a03f524d8ecaceb16f8b71809bdfd3bef"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a03766.html#a03f524d8ecaceb16f8b71809bdfd3bef">randomize</a>·()</td></tr>
111 <tr·class="separator:a03f524d8ecaceb16f8b71809bdfd3bef"><td·class="memSeparator"·colspan="2">&#160;</td></tr>111 <tr·class="separator:a03f524d8ecaceb16f8b71809bdfd3bef"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
112 </table>112 </table>
113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
114 <div·class="textblock">114 <div·class="textblock">
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/de5/a00503_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d4/de5/a00503_source.html">geneticIndividual.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d93/a01535_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../dc/d93/a01535_source.html">geneticIndividual.h</a>.</p>
116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
117 <a·id="a73285c5e8f6a1b57b38e3f68e04affe8"·name="a73285c5e8f6a1b57b38e3f68e04affe8"></a>117 <a·id="a73285c5e8f6a1b57b38e3f68e04affe8"·name="a73285c5e8f6a1b57b38e3f68e04affe8"></a>
118 <h2·class="memtitle"><span·class="permalink"><a·href="#a73285c5e8f6a1b57b38e3f68e04affe8">&#9670;&nbsp;</a></span>GeneticIndividual()·<span·class="overload">[1/2]</span></h2>118 <h2·class="memtitle"><span·class="permalink"><a·href="#a73285c5e8f6a1b57b38e3f68e04affe8">&#9670;&nbsp;</a></span>GeneticIndividual()·<span·class="overload">[1/2]</span></h2>
  
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../d0/de5/a04239.html">List·of·all·members</a>··</div>71 <a·href="../../d0/de5/a04239.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordKEYWDS·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordKEYWDS·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a6a19df32d0e26c5d4e0a428ee1fd4ef4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a04242.html#a6a19df32d0e26c5d4e0a428ee1fd4ef4">record_type</a></td></tr>79 <tr·class="memitem:a6a19df32d0e26c5d4e0a428ee1fd4ef4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a04242.html#a6a19df32d0e26c5d4e0a428ee1fd4ef4">record_type</a></td></tr>
80 <tr·class="separator:a6a19df32d0e26c5d4e0a428ee1fd4ef4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a6a19df32d0e26c5d4e0a428ee1fd4ef4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a7b0bdc4aef97c1f5be44926e49b295c1"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a04242.html#a7b0bdc4aef97c1f5be44926e49b295c1">record_name</a></td></tr>81 <tr·class="memitem:a7b0bdc4aef97c1f5be44926e49b295c1"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a04242.html#a7b0bdc4aef97c1f5be44926e49b295c1">record_name</a></td></tr>
82 <tr·class="separator:a7b0bdc4aef97c1f5be44926e49b295c1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a7b0bdc4aef97c1f5be44926e49b295c1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:ac1d87f47d04642c4fccb0ba0ea4f2172"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a0cbac9ad1d23edeb1571c578d3c692ba">Continuation</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a04242.html#ac1d87f47d04642c4fccb0ba0ea4f2172">continuation</a></td></tr>83 <tr·class="memitem:ac1d87f47d04642c4fccb0ba0ea4f2172"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a0cbac9ad1d23edeb1571c578d3c692ba">Continuation</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a04242.html#ac1d87f47d04642c4fccb0ba0ea4f2172">continuation</a></td></tr>
84 <tr·class="separator:ac1d87f47d04642c4fccb0ba0ea4f2172"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:ac1d87f47d04642c4fccb0ba0ea4f2172"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 <tr·class="memitem:aea7027cf7acd429ef21d237126ba547a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#acebeb0b6dea390e81aee5978282bb859">PDBList</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a04242.html#aea7027cf7acd429ef21d237126ba547a">keywords</a></td></tr>85 <tr·class="memitem:aea7027cf7acd429ef21d237126ba547a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#acebeb0b6dea390e81aee5978282bb859">PDBList</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a04242.html#aea7027cf7acd429ef21d237126ba547a">keywords</a></td></tr>
86 <tr·class="separator:aea7027cf7acd429ef21d237126ba547a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:aea7027cf7acd429ef21d237126ba547a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table>87 </table>
88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
89 <div·class="textblock">89 <div·class="textblock">
90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00782">782</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00782">782</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
91 </div><h2·class="groupheader">Member·Data·Documentation</h2>91 </div><h2·class="groupheader">Member·Data·Documentation</h2>
92 <a·id="ac1d87f47d04642c4fccb0ba0ea4f2172"·name="ac1d87f47d04642c4fccb0ba0ea4f2172"></a>92 <a·id="ac1d87f47d04642c4fccb0ba0ea4f2172"·name="ac1d87f47d04642c4fccb0ba0ea4f2172"></a>
93 <h2·class="memtitle"><span·class="permalink"><a·href="#ac1d87f47d04642c4fccb0ba0ea4f2172">&#9670;&nbsp;</a></span>continuation</h2>93 <h2·class="memtitle"><span·class="permalink"><a·href="#ac1d87f47d04642c4fccb0ba0ea4f2172">&#9670;&nbsp;</a></span>continuation</h2>
  
94 <div·class="memitem">94 <div·class="memitem">
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98 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a0cbac9ad1d23edeb1571c578d3c692ba">Continuation</a>·BALL::PDB::RecordKEYWDS::continuation</td>98 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a0cbac9ad1d23edeb1571c578d3c692ba">Continuation</a>·BALL::PDB::RecordKEYWDS::continuation</td>
99 ········</tr>99 ········</tr>
100 ······</table>100 ······</table>
101 </div><div·class="memdoc">101 </div><div·class="memdoc">
  
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00786">786</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00786">786</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
103 </div>103 </div>
104 </div>104 </div>
105 <a·id="aea7027cf7acd429ef21d237126ba547a"·name="aea7027cf7acd429ef21d237126ba547a"></a>105 <a·id="aea7027cf7acd429ef21d237126ba547a"·name="aea7027cf7acd429ef21d237126ba547a"></a>
106 <h2·class="memtitle"><span·class="permalink"><a·href="#aea7027cf7acd429ef21d237126ba547a">&#9670;&nbsp;</a></span>keywords</h2>106 <h2·class="memtitle"><span·class="permalink"><a·href="#aea7027cf7acd429ef21d237126ba547a">&#9670;&nbsp;</a></span>keywords</h2>
  
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116 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#acebeb0b6dea390e81aee5978282bb859">PDBList</a>·BALL::PDB::RecordKEYWDS::keywords</td>116 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#acebeb0b6dea390e81aee5978282bb859">PDBList</a>·BALL::PDB::RecordKEYWDS::keywords</td>
117 ········</tr>117 ········</tr>
118 ······</table>118 ······</table>
119 </div><div·class="memdoc">119 </div><div·class="memdoc">
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00787">787</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00787">787</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
121 </div>121 </div>
122 </div>122 </div>
123 <a·id="a7b0bdc4aef97c1f5be44926e49b295c1"·name="a7b0bdc4aef97c1f5be44926e49b295c1"></a>123 <a·id="a7b0bdc4aef97c1f5be44926e49b295c1"·name="a7b0bdc4aef97c1f5be44926e49b295c1"></a>
124 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b0bdc4aef97c1f5be44926e49b295c1">&#9670;&nbsp;</a></span>record_name</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b0bdc4aef97c1f5be44926e49b295c1">&#9670;&nbsp;</a></span>record_name</h2>
  
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132 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordKEYWDS::record_name</td>132 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordKEYWDS::record_name</td>
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135 </div><div·class="memdoc">135 </div><div·class="memdoc">
  
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00785">785</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00785">785</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
137 </div>137 </div>
138 </div>138 </div>
139 <a·id="a6a19df32d0e26c5d4e0a428ee1fd4ef4"·name="a6a19df32d0e26c5d4e0a428ee1fd4ef4"></a>139 <a·id="a6a19df32d0e26c5d4e0a428ee1fd4ef4"·name="a6a19df32d0e26c5d4e0a428ee1fd4ef4"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a6a19df32d0e26c5d4e0a428ee1fd4ef4">&#9670;&nbsp;</a></span>record_type</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a6a19df32d0e26c5d4e0a428ee1fd4ef4">&#9670;&nbsp;</a></span>record_type</h2>
  
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148 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordKEYWDS::record_type</td>148 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordKEYWDS::record_type</td>
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156 <!--·start·footer·part·-->156 <!--·start·footer·part·-->
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74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>71 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d31/a01892_source.html">BALL/ENERGY/atomicContactEnergy.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>72 <code>#include·&lt;<a·class="el"·href="../../dd/d8e/a01898_source.html">BALL/ENERGY/coulomb.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../da/d46/a00665_source.html">BALL/STRUCTURE/mutator.h</a>&gt;</code><br·/>73 <code>#include·&lt;<a·class="el"·href="../../db/d29/a01895_source.html">BALL/ENERGY/distanceCoulomb.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/STRUCTURE/nucleotideMapping.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;deque&gt;</code><br·/> 
79 <code>#include·&lt;map&gt;</code><br·/> 
80 </div>74 </div>
81 <p><a·href="../../d1/daa/a00638_source.html">Go·to·the·source·code·of·this·file.</a></p>75 <p><a·href="../../d1/daa/a00638_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls"> 
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
84 Classes</h2></td></tr> 
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d03/a06858.html">BALL::DNAMutator</a></td></tr> 
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
87 </table><table·class="memberdecls"> 
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
89 Namespaces</h2></td></tr> 
90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
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92 </table> 
93 </div><!--·contents·-->76 </div><!--·contents·-->
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72 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../d1/dac/a06750.html"·title="Default·option·values.">Default</a>·option·values.··75 <p><a·class="el"·href="../../d1/dac/a06750.html"·title="Default·option·values.">Default</a>·option·values.··
76 ·<a·href="../../d1/dac/a06750.html#details">More...</a></p>76 ·<a·href="../../d1/dac/a06750.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d4/d2a/a00632_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8e/a01694_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
80 Static·Public·Attributes</h2></td></tr>80 Static·Public·Attributes</h2></td></tr>
81 <tr·class="memitem:a08cfdc1f66f40ac9cdead5dfff50eb62"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d4/d24/a06742.html#aabd33cb309992fa0c8a2371a6b94f07e">Penalty</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dac/a06750.html#a08cfdc1f66f40ac9cdead5dfff50eb62">UPPER_PENALTY_BOUND</a></td></tr>81 <tr·class="memitem:a08cfdc1f66f40ac9cdead5dfff50eb62"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d4/d24/a06742.html#aabd33cb309992fa0c8a2371a6b94f07e">Penalty</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dac/a06750.html#a08cfdc1f66f40ac9cdead5dfff50eb62">UPPER_PENALTY_BOUND</a></td></tr>
82 <tr·class="separator:a08cfdc1f66f40ac9cdead5dfff50eb62"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a08cfdc1f66f40ac9cdead5dfff50eb62"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock"><p·><a·class="el"·href="../../d1/dac/a06750.html"·title="Default·option·values.">Default</a>·option·values.·</p>85 <div·class="textblock"><p·><a·class="el"·href="../../d1/dac/a06750.html"·title="Default·option·values.">Default</a>·option·values.·</p>
  
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00167">167</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00167">167</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="a08cfdc1f66f40ac9cdead5dfff50eb62"·name="a08cfdc1f66f40ac9cdead5dfff50eb62"></a>88 <a·id="a08cfdc1f66f40ac9cdead5dfff50eb62"·name="a08cfdc1f66f40ac9cdead5dfff50eb62"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#a08cfdc1f66f40ac9cdead5dfff50eb62">&#9670;&nbsp;</a></span>UPPER_PENALTY_BOUND</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#a08cfdc1f66f40ac9cdead5dfff50eb62">&#9670;&nbsp;</a></span>UPPER_PENALTY_BOUND</h2>
  
90 <div·class="memitem">90 <div·class="memitem">
91 <div·class="memproto">91 <div·class="memproto">
92 <table·class="mlabels">92 <table·class="mlabels">
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105 ··<td·class="mlabels-right">105 ··<td·class="mlabels-right">
106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
107 ··</tr>107 ··</tr>
108 </table>108 </table>
109 </div><div·class="memdoc">109 </div><div·class="memdoc">
110 <p·>The·maximum·penalty·for·which·this·FPT·strategy·will·compute·solutions.·Setting·this·to·a·value·different·from·infinite_penalty·can·significantly·speed·up·the·computation.·</p>110 <p·>The·maximum·penalty·for·which·this·FPT·strategy·will·compute·solutions.·Setting·this·to·a·value·different·from·infinite_penalty·can·significantly·speed·up·the·computation.·</p>
  
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00173">173</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00173">173</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
112 </div>112 </div>
113 </div>113 </div>
114 </div><!--·contents·-->114 </div><!--·contents·-->
115 <!--·start·footer·part·-->115 <!--·start·footer·part·-->
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
 62 <div·id="nav-path"·class="navpath">
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 64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>
 65 </div>
62 </div><!--·top·-->66 </div><!--·top·-->
63 <div·class="header">67 <div·class="header">
 68 ··<div·class="summary">
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 70 <a·href="#namespaces">Namespaces</a>··</div>
64 ··<div·class="headertitle"><div·class="title">rendering.doc·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">SDWidget.h·File·Reference</div></div>
65 </div><!--header-->72 </div><!--header-->
66 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/>
 78 </div>
 79 <p><a·href="../../d1/dae/a01136_source.html">Go·to·the·source·code·of·this·file.</a></p>
 80 <table·class="memberdecls">
 81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
 82 Classes</h2></td></tr>
 83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d26/a08534.html">BALL::VIEW::SDWidget</a></td></tr>
 84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d03/a08538.html">BALL::VIEW::SDWidget::Option</a></td></tr>
 86 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d7/d03/a08538.html"·title="Option·names.">Option</a>·names.··<a·href="../../d7/d03/a08538.html#details">More...</a><br·/></td></tr>
 87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d31/a08542.html">BALL::VIEW::SDWidget::Default</a></td></tr>
 89 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d3/d31/a08542.html"·title="Default·values·for·options.">Default</a>·values·for·options.··<a·href="../../d3/d31/a08542.html#details">More...</a><br·/></td></tr>
 90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 91 </table><table·class="memberdecls">
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 93 Namespaces</h2></td></tr>
 94 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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 96 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 </table>
67 </div><!--·contents·-->99 </div><!--·contents·-->
68 <!--·start·footer·part·-->100 <!--·start·footer·part·-->
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d3/dca/a03171.html">List·of·all·members</a>··</div>70 <a·href="../../d3/dca/a03171.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::Exception::GlobalExceptionHandler·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::Exception::GlobalExceptionHandler·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
75 <table·class="memberdecls">75 <table·class="memberdecls">
76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
77 Public·Member·Functions</h2></td></tr>77 Public·Member·Functions</h2></td></tr>
78 <tr><td·colspan="2"><div·class="groupHeader">Constructors</div></td></tr>78 <tr><td·colspan="2"><div·class="groupHeader">Constructors</div></td></tr>
79 <tr·class="memitem:a412d8dbe082ebb57321017aa1b7895ad"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/db4/a03174.html#a412d8dbe082ebb57321017aa1b7895ad">GlobalExceptionHandler</a>·()</td></tr>79 <tr·class="memitem:a412d8dbe082ebb57321017aa1b7895ad"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/db4/a03174.html#a412d8dbe082ebb57321017aa1b7895ad">GlobalExceptionHandler</a>·()</td></tr>
80 <tr·class="separator:a412d8dbe082ebb57321017aa1b7895ad"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a412d8dbe082ebb57321017aa1b7895ad"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 </table><table·class="memberdecls">81 </table><table·class="memberdecls">
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109 <tr·class="separator:a7d58a960e00efad97296cb4512aa1855"><td·class="memSeparator"·colspan="2">&#160;</td></tr>109 <tr·class="separator:a7d58a960e00efad97296cb4512aa1855"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
110 <tr·class="memitem:ab2cf76e34d00e1bd1af99c96a8c2df70"><td·class="memItemLeft"·align="right"·valign="top">static·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/db4/a03174.html#ab2cf76e34d00e1bd1af99c96a8c2df70">newHandler</a>·()</td></tr>110 <tr·class="memitem:ab2cf76e34d00e1bd1af99c96a8c2df70"><td·class="memItemLeft"·align="right"·valign="top">static·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/db4/a03174.html#ab2cf76e34d00e1bd1af99c96a8c2df70">newHandler</a>·()</td></tr>
111 <tr·class="separator:ab2cf76e34d00e1bd1af99c96a8c2df70"><td·class="memSeparator"·colspan="2">&#160;</td></tr>111 <tr·class="separator:ab2cf76e34d00e1bd1af99c96a8c2df70"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
112 </table>112 </table>
113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
114 <div·class="textblock"><p·>Class·handling·uncaught·exception·globally.·</p>114 <div·class="textblock"><p·>Class·handling·uncaught·exception·globally.·</p>
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00493">493</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00493">493</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
117 <a·id="a412d8dbe082ebb57321017aa1b7895ad"·name="a412d8dbe082ebb57321017aa1b7895ad"></a>117 <a·id="a412d8dbe082ebb57321017aa1b7895ad"·name="a412d8dbe082ebb57321017aa1b7895ad"></a>
118 <h2·class="memtitle"><span·class="permalink"><a·href="#a412d8dbe082ebb57321017aa1b7895ad">&#9670;&nbsp;</a></span>GlobalExceptionHandler()</h2>118 <h2·class="memtitle"><span·class="permalink"><a·href="#a412d8dbe082ebb57321017aa1b7895ad">&#9670;&nbsp;</a></span>GlobalExceptionHandler()</h2>
  
119 <div·class="memitem">119 <div·class="memitem">
120 <div·class="memproto">120 <div·class="memproto">
121 ······<table·class="memname">121 ······<table·class="memname">
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372 ··</td>372 ··</td>
373 ··<td·class="mlabels-right">373 ··<td·class="mlabels-right">
374 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>374 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>
375 ··</tr>375 ··</tr>
376 </table>376 </table>
377 </div><div·class="memdoc">377 </div><div·class="memdoc">
  
378 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00551">551</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>378 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00551">551</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
  
379 </div>379 </div>
380 </div>380 </div>
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383 <div·class="memitem">383 <div·class="memitem">
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396 ··</td>396 ··</td>
397 ··<td·class="mlabels-right">397 ··<td·class="mlabels-right">
398 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>398 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>
399 ··</tr>399 ··</tr>
400 </table>400 </table>
401 </div><div·class="memdoc">401 </div><div·class="memdoc">
  
402 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00552">552</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>402 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00552">552</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
  
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404 </div>404 </div>
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420 ··</td>420 ··</td>
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426 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00554">554</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>426 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00554">554</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
  
427 </div>427 </div>
428 </div>428 </div>
429 <a·id="acd2378e7c48894c1e47fcd8642c24167"·name="acd2378e7c48894c1e47fcd8642c24167"></a>429 <a·id="acd2378e7c48894c1e47fcd8642c24167"·name="acd2378e7c48894c1e47fcd8642c24167"></a>
430 <h2·class="memtitle"><span·class="permalink"><a·href="#acd2378e7c48894c1e47fcd8642c24167">&#9670;&nbsp;</a></span>name_</h2>430 <h2·class="memtitle"><span·class="permalink"><a·href="#acd2378e7c48894c1e47fcd8642c24167">&#9670;&nbsp;</a></span>name_</h2>
  
431 <div·class="memitem">431 <div·class="memitem">
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444 ··</td>444 ··</td>
445 ··<td·class="mlabels-right">445 ··<td·class="mlabels-right">
446 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>446 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>
447 ··</tr>447 ··</tr>
448 </table>448 </table>
449 </div><div·class="memdoc">449 </div><div·class="memdoc">
  
450 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00553">553</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>450 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00553">553</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
  
451 </div>451 </div>
452 </div>452 </div>
453 </div><!--·contents·-->453 </div><!--·contents·-->
454 <!--·start·footer·part·-->454 <!--·start·footer·part·-->
455 <hr·class="footer"/><address·class="footer"><small>455 <hr·class="footer"/><address·class="footer"><small>
456 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4456 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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73 <a·href="#pro-static-methods">Static·Protected·Member·Functions</a>·&#124;73 <a·href="#pro-static-methods">Static·Protected·Member·Functions</a>·&#124;
74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
75 <a·href="../../d4/d7c/a06327.html">List·of·all·members</a>··</div>75 <a·href="../../d4/d7c/a06327.html">List·of·all·members</a>··</div>
76 ··<div·class="headertitle"><div·class="title">BALL::PLP·Class·Reference</div></div>76 ··<div·class="headertitle"><div·class="title">BALL::PLP·Class·Reference</div></div>
77 </div><!--header-->77 </div><!--header-->
78 <div·class="contents">78 <div·class="contents">
  
79 <p><code>#include·&lt;<a·class="el"·href="../../da/d15/a00188_source.html">BALL/SCORING/COMPONENTS/PLP.h</a>&gt;</code></p>79 <p><code>#include·&lt;<a·class="el"·href="../../d3/d1e/a02093_source.html">BALL/SCORING/COMPONENTS/PLP.h</a>&gt;</code></p>
80 <div·class="dynheader">80 <div·class="dynheader">
81 Inheritance·diagram·for·BALL::PLP:</div>81 Inheritance·diagram·for·BALL::PLP:</div>
82 <div·class="dyncontent">82 <div·class="dyncontent">
83 ·<div·class="center">83 ·<div·class="center">
84 ··<img·src="../../d1/db4/a06330.png"·usemap="#BALL::PLP_map"·alt=""/>84 ··<img·src="../../d1/db4/a06330.png"·usemap="#BALL::PLP_map"·alt=""/>
85 ··<map·id="BALL::PLP_map"·name="BALL::PLP_map">85 ··<map·id="BALL::PLP_map"·name="BALL::PLP_map">
86 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>86 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>
Offset 272, 15 lines modifiedOffset 272, 15 lines modified
272 <tr·class="inherit_header·pro_methods_a06162"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06162')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>272 <tr·class="inherit_header·pro_methods_a06162"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06162')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>
273 <tr·class="memitem:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#af0e53f17f9760bf500c2dbcf15d7fa3e">scaleScore</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·score)·const</td></tr>273 <tr·class="memitem:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#af0e53f17f9760bf500c2dbcf15d7fa3e">scaleScore</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·score)·const</td></tr>
274 <tr·class="separator:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>274 <tr·class="separator:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
275 </table>275 </table>
276 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>276 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
277 <div·class="textblock"><p·>Piecewise·Linear·Potential·</p>277 <div·class="textblock"><p·>Piecewise·Linear·Potential·</p>
  
278 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d15/a00188_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../da/d15/a00188_source.html">PLP.h</a>.</p>278 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d1e/a02093_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../d3/d1e/a02093_source.html">PLP.h</a>.</p>
279 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>279 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
280 <a·id="a25c30bbbd6cef5ef72f11343e7238cae"·name="a25c30bbbd6cef5ef72f11343e7238cae"></a>280 <a·id="a25c30bbbd6cef5ef72f11343e7238cae"·name="a25c30bbbd6cef5ef72f11343e7238cae"></a>
281 <h2·class="memtitle"><span·class="permalink"><a·href="#a25c30bbbd6cef5ef72f11343e7238cae">&#9670;&nbsp;</a></span>PLP()·<span·class="overload">[1/3]</span></h2>281 <h2·class="memtitle"><span·class="permalink"><a·href="#a25c30bbbd6cef5ef72f11343e7238cae">&#9670;&nbsp;</a></span>PLP()·<span·class="overload">[1/3]</span></h2>
  
282 <div·class="memitem">282 <div·class="memitem">
283 <div·class="memproto">283 <div·class="memproto">
284 ······<table·class="memname">284 ······<table·class="memname">
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782 ··</td>782 ··</td>
783 ··<td·class="mlabels-right">783 ··<td·class="mlabels-right">
784 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>784 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
785 ··</tr>785 ··</tr>
786 </table>786 </table>
787 </div><div·class="memdoc">787 </div><div·class="memdoc">
  
788 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d15/a00188_source.html#l00115">115</a>·of·file·<a·class="el"·href="../../da/d15/a00188_source.html">PLP.h</a>.</p>788 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d1e/a02093_source.html#l00115">115</a>·of·file·<a·class="el"·href="../../d3/d1e/a02093_source.html">PLP.h</a>.</p>
  
789 </div>789 </div>
790 </div>790 </div>
791 <a·id="a21961498329c6498ab075aaeccac6c18"·name="a21961498329c6498ab075aaeccac6c18"></a>791 <a·id="a21961498329c6498ab075aaeccac6c18"·name="a21961498329c6498ab075aaeccac6c18"></a>
792 <h2·class="memtitle"><span·class="permalink"><a·href="#a21961498329c6498ab075aaeccac6c18">&#9670;&nbsp;</a></span>vdw_energy_</h2>792 <h2·class="memtitle"><span·class="permalink"><a·href="#a21961498329c6498ab075aaeccac6c18">&#9670;&nbsp;</a></span>vdw_energy_</h2>
  
793 <div·class="memitem">793 <div·class="memitem">
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806 ··</td>806 ··</td>
807 ··<td·class="mlabels-right">807 ··<td·class="mlabels-right">
808 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>808 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
809 ··</tr>809 ··</tr>
810 </table>810 </table>
811 </div><div·class="memdoc">811 </div><div·class="memdoc">
  
812 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d15/a00188_source.html#l00118">118</a>·of·file·<a·class="el"·href="../../da/d15/a00188_source.html">PLP.h</a>.</p>812 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d1e/a02093_source.html#l00118">118</a>·of·file·<a·class="el"·href="../../d3/d1e/a02093_source.html">PLP.h</a>.</p>
  
813 </div>813 </div>
814 </div>814 </div>
815 </div><!--·contents·-->815 </div><!--·contents·-->
816 <!--·start·footer·part·-->816 <!--·start·footer·part·-->
817 <hr·class="footer"/><address·class="footer"><small>817 <hr·class="footer"/><address·class="footer"><small>
818 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4818 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d1/db0/a05447.html">List·of·all·members</a>··</div>70 <a·href="../../d1/db0/a05447.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::Templates·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::Templates·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../da/db8/a00797_source.html">BALL/MOLMEC/PARAMETER/templates.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d7/dce/a00143_source.html">BALL/MOLMEC/PARAMETER/templates.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::Templates:</div>76 Inheritance·diagram·for·BALL::Templates:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d1/db8/a05450.png"·usemap="#BALL::Templates_map"·alt=""/>79 ··<img·src="../../d1/db8/a05450.png"·usemap="#BALL::Templates_map"·alt=""/>
80 ··<map·id="BALL::Templates_map"·name="BALL::Templates_map">80 ··<map·id="BALL::Templates_map"·name="BALL::Templates_map">
81 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>81 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>
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614 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/db8/a00797_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../da/db8/a00797_source.html">templates.h</a>.</p>614 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dce/a00143_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d7/dce/a00143_source.html">templates.h</a>.</p>
  
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632 ··</td>632 ··</td>
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635 ··</tr>635 ··</tr>
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638 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/db8/a00797_source.html#l00138">138</a>·of·file·<a·class="el"·href="../../da/db8/a00797_source.html">templates.h</a>.</p>638 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dce/a00143_source.html#l00138">138</a>·of·file·<a·class="el"·href="../../d7/dce/a00143_source.html">templates.h</a>.</p>
  
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../de/d5b/a06307.html">List·of·all·members</a>··</div>71 <a·href="../../de/d5b/a06307.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Lipophilic::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Lipophilic::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../de/df3/a00185_source.html">BALL/SCORING/COMPONENTS/lipophilic.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d8b/a02060_source.html">BALL/SCORING/COMPONENTS/lipophilic.h</a>&gt;</code></p>
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79 <tr·class="memitem:a76db091d21dae378c9b293eb23040f62"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dbe/a06310.html#a76db091d21dae378c9b293eb23040f62">LIPO_R1_OFFSET</a></td></tr>79 <tr·class="memitem:a76db091d21dae378c9b293eb23040f62"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dbe/a06310.html#a76db091d21dae378c9b293eb23040f62">LIPO_R1_OFFSET</a></td></tr>
80 <tr·class="separator:a76db091d21dae378c9b293eb23040f62"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a76db091d21dae378c9b293eb23040f62"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a07d58c843bcc941bcbfb060268147c6e"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dbe/a06310.html#a07d58c843bcc941bcbfb060268147c6e">LIPO_R2_OFFSET</a></td></tr>81 <tr·class="memitem:a07d58c843bcc941bcbfb060268147c6e"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dbe/a06310.html#a07d58c843bcc941bcbfb060268147c6e">LIPO_R2_OFFSET</a></td></tr>
82 <tr·class="separator:a07d58c843bcc941bcbfb060268147c6e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a07d58c843bcc941bcbfb060268147c6e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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86 <tr·class="memitem:a4f4b6af74d9afd56e95fab3d01e5dbdf"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dbe/a06310.html#a4f4b6af74d9afd56e95fab3d01e5dbdf">VERBOSITY</a></td></tr>86 <tr·class="memitem:a4f4b6af74d9afd56e95fab3d01e5dbdf"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dbe/a06310.html#a4f4b6af74d9afd56e95fab3d01e5dbdf">VERBOSITY</a></td></tr>
87 <tr·class="separator:a4f4b6af74d9afd56e95fab3d01e5dbdf"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a4f4b6af74d9afd56e95fab3d01e5dbdf"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock"><p·><a·class="el"·href="../../d1/dbe/a06310.html">Default</a>·values·for·SLICK·options.·</p>90 <div·class="textblock"><p·><a·class="el"·href="../../d1/dbe/a06310.html">Default</a>·values·for·SLICK·options.·</p>
  
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/df3/a00185_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../de/df3/a00185_source.html">lipophilic.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8b/a02060_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d5/d8b/a02060_source.html">lipophilic.h</a>.</p>
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107 ··</td>107 ··</td>
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109 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>109 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
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117 <h2·class="memtitle"><span·class="permalink"><a·href="#a76db091d21dae378c9b293eb23040f62">&#9670;&nbsp;</a></span>LIPO_R1_OFFSET</h2>117 <h2·class="memtitle"><span·class="permalink"><a·href="#a76db091d21dae378c9b293eb23040f62">&#9670;&nbsp;</a></span>LIPO_R1_OFFSET</h2>
  
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131 ··</td>131 ··</td>
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133 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>133 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
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138 </div>138 </div>
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141 <h2·class="memtitle"><span·class="permalink"><a·href="#a07d58c843bcc941bcbfb060268147c6e">&#9670;&nbsp;</a></span>LIPO_R2_OFFSET</h2>141 <h2·class="memtitle"><span·class="permalink"><a·href="#a07d58c843bcc941bcbfb060268147c6e">&#9670;&nbsp;</a></span>LIPO_R2_OFFSET</h2>
  
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155 ··</td>155 ··</td>
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162 </div>162 </div>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">TRRFile.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">snapShotManager.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/de7/a00014_source.html">BALL/FORMAT/trajectoryFile.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/db6/a00074_source.html">BALL/MOLMEC/COMMON/snapShot.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../de/d0f/a01727_source.html">BALL/SYSTEM/binaryFileAdaptor.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
76 </div>77 </div>
77 <p><a·href="../../d1/dc1/a00092_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d1/dc1/a00092_source.html">Go·to·the·source·code·of·this·file.</a></p>
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81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d70/a04454.html">BALL::TRRFile</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d80/a05114.html">BALL::SnapShotManager</a></td></tr>
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 85 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Local·class·for·handling·options.··<a·href="../../d5/d87/a05118.html#details">More...</a><br·/></td></tr>
 86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d0c/a05122.html">BALL::SnapShotManager::Default</a></td></tr>
 88 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Local·class·for·handling·default·values·for·the·options.··<a·href="../../dc/d0c/a05122.html#details">More...</a><br·/></td></tr>
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87 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
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74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ChainColorProcessor·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ChainColorProcessor·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d1/d35/a01184_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::VIEW::ChainColorProcessor:</div>79 Inheritance·diagram·for·BALL::VIEW::ChainColorProcessor:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d1/dc3/a08086.png"·usemap="#BALL::VIEW::ChainColorProcessor_map"·alt=""/>82 ··<img·src="../../d1/dc3/a08086.png"·usemap="#BALL::VIEW::ChainColorProcessor_map"·alt=""/>
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84 <area·href="../../de/de3/a08082.html"·alt="BALL::VIEW::PositionColorProcessor"·shape="rect"·coords="0,168,364,192"/>84 <area·href="../../de/de3/a08082.html"·alt="BALL::VIEW::PositionColorProcessor"·shape="rect"·coords="0,168,364,192"/>
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245 <tr·class="memitem:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·*·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#aca8cefb33c4b6745e085cd5b908528b1">argument_pointer</a></td></tr>245 <tr·class="memitem:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·*·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#aca8cefb33c4b6745e085cd5b908528b1">argument_pointer</a></td></tr>
246 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>246 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
247 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·*·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>247 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·*·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
248 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>248 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
249 </table>249 </table>
250 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>250 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
251 <div·class="textblock">251 <div·class="textblock">
252 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00170">170</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>252 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00170">170</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
253 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>253 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
254 <a·id="a3dff00d4d2bc213ec9664675362dc910"·name="a3dff00d4d2bc213ec9664675362dc910"></a>254 <a·id="a3dff00d4d2bc213ec9664675362dc910"·name="a3dff00d4d2bc213ec9664675362dc910"></a>
255 <h2·class="memtitle"><span·class="permalink"><a·href="#a3dff00d4d2bc213ec9664675362dc910">&#9670;&nbsp;</a></span>ChainColorProcessor()</h2>255 <h2·class="memtitle"><span·class="permalink"><a·href="#a3dff00d4d2bc213ec9664675362dc910">&#9670;&nbsp;</a></span>ChainColorProcessor()</h2>
  
256 <div·class="memitem">256 <div·class="memitem">
257 <div·class="memproto">257 <div·class="memproto">
258 ······<table·class="memname">258 ······<table·class="memname">
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320 ··</tr>320 ··</tr>
321 </table>321 </table>
322 </div><div·class="memdoc">322 </div><div·class="memdoc">
  
323 <p>Reimplemented·from·<a·class="el"·href="../../de/de3/a08082.html#a4df8dc63db7666f8d4c52d1a13415b98">BALL::VIEW::PositionColorProcessor</a>.</p>323 <p>Reimplemented·from·<a·class="el"·href="../../de/de3/a08082.html#a4df8dc63db7666f8d4c52d1a13415b98">BALL::VIEW::PositionColorProcessor</a>.</p>
  
324 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00182">182</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>324 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00182">182</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
325 </div>325 </div>
326 </div>326 </div>
327 <a·id="a74af1a704c335edaf39712b6228016e4"·name="a74af1a704c335edaf39712b6228016e4"></a>327 <a·id="a74af1a704c335edaf39712b6228016e4"·name="a74af1a704c335edaf39712b6228016e4"></a>
328 <h2·class="memtitle"><span·class="permalink"><a·href="#a74af1a704c335edaf39712b6228016e4">&#9670;&nbsp;</a></span>isOK_()</h2>328 <h2·class="memtitle"><span·class="permalink"><a·href="#a74af1a704c335edaf39712b6228016e4">&#9670;&nbsp;</a></span>isOK_()</h2>
  
329 <div·class="memitem">329 <div·class="memitem">
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349 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">protected</span><span·class="mlabel">virtual</span></span>··</td>349 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">protected</span><span·class="mlabel">virtual</span></span>··</td>
350 ··</tr>350 ··</tr>
351 </table>351 </table>
352 </div><div·class="memdoc">352 </div><div·class="memdoc">
  
353 <p>Reimplemented·from·<a·class="el"·href="../../de/de3/a08082.html#ad495e3c1cfb9735754566c3d007ae9e7">BALL::VIEW::PositionColorProcessor</a>.</p>353 <p>Reimplemented·from·<a·class="el"·href="../../de/de3/a08082.html#ad495e3c1cfb9735754566c3d007ae9e7">BALL::VIEW::PositionColorProcessor</a>.</p>
  
354 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00185">185</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>354 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00185">185</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
355 </div>355 </div>
356 </div>356 </div>
357 <h2·class="groupheader">Member·Data·Documentation</h2>357 <h2·class="groupheader">Member·Data·Documentation</h2>
358 <a·id="ad1f83a45dfe1b849c5162c988868d4df"·name="ad1f83a45dfe1b849c5162c988868d4df"></a>358 <a·id="ad1f83a45dfe1b849c5162c988868d4df"·name="ad1f83a45dfe1b849c5162c988868d4df"></a>
359 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1f83a45dfe1b849c5162c988868d4df">&#9670;&nbsp;</a></span>dummy_chain_</h2>359 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1f83a45dfe1b849c5162c988868d4df">&#9670;&nbsp;</a></span>dummy_chain_</h2>
  
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374 ··</td>374 ··</td>
375 ··<td·class="mlabels-right">375 ··<td·class="mlabels-right">
376 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>376 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
377 ··</tr>377 ··</tr>
378 </table>378 </table>
379 </div><div·class="memdoc">379 </div><div·class="memdoc">
  
380 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00188">188</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>380 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00188">188</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
381 </div>381 </div>
382 </div>382 </div>
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386 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4386 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d4/da5/a05699.html">List·of·all·members</a>··</div>71 <a·href="../../d4/da5/a05699.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::TooManyPLSComponents·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::TooManyPLSComponents·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/d51/a20335_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::QSAR::Exception::TooManyPLSComponents:</div>77 Inheritance·diagram·for·BALL::QSAR::Exception::TooManyPLSComponents:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d1/dc4/a05702.png"·usemap="#BALL::QSAR::Exception::TooManyPLSComponents_map"·alt=""/>80 ··<img·src="../../d1/dc4/a05702.png"·usemap="#BALL::QSAR::Exception::TooManyPLSComponents_map"·alt=""/>
81 ··<map·id="BALL::QSAR::Exception::TooManyPLSComponents_map"·name="BALL::QSAR::Exception::TooManyPLSComponents_map">81 ··<map·id="BALL::QSAR::Exception::TooManyPLSComponents_map"·name="BALL::QSAR::Exception::TooManyPLSComponents_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,296,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,296,80"/>
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131 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>131 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>There·may·not·be·more·PLS·components·than·features·</p>136 <div·class="textblock"><p·>There·may·not·be·more·PLS·components·than·features·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d51/a20335_source.html#l00082">82</a>·of·file·<a·class="el"·href="../../db/d51/a20335_source.html">QSAR/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00082">82</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="a8c20cadaf60fcf9b8a84583aaaa5e8d0"·name="a8c20cadaf60fcf9b8a84583aaaa5e8d0"></a>139 <a·id="a8c20cadaf60fcf9b8a84583aaaa5e8d0"·name="a8c20cadaf60fcf9b8a84583aaaa5e8d0"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a8c20cadaf60fcf9b8a84583aaaa5e8d0">&#9670;&nbsp;</a></span>TooManyPLSComponents()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a8c20cadaf60fcf9b8a84583aaaa5e8d0">&#9670;&nbsp;</a></span>TooManyPLSComponents()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
142 <div·class="memproto">142 <div·class="memproto">
143 ······<table·class="memname">143 ······<table·class="memname">
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../dc/d03/a05655.html">List·of·all·members</a>··</div>70 <a·href="../../dc/d03/a05655.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::ZagrebIndex·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::ZagrebIndex·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d4/d93/a01955_source.html">BALL/QSAR/connectivityDescriptors.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d8/d21/a00368_source.html">BALL/QSAR/connectivityDescriptors.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::ZagrebIndex:</div>76 Inheritance·diagram·for·BALL::ZagrebIndex:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d1/dc8/a05658.png"·usemap="#BALL::ZagrebIndex_map"·alt=""/>79 ··<img·src="../../d1/dc8/a05658.png"·usemap="#BALL::ZagrebIndex_map"·alt=""/>
80 ··<map·id="BALL::ZagrebIndex_map"·name="BALL::ZagrebIndex_map">80 ··<map·id="BALL::ZagrebIndex_map"·name="BALL::ZagrebIndex_map">
81 <area·href="../../d1/d96/a05654.html"·alt="BALL::ConnectivityBase"·shape="rect"·coords="0,168,341,192"/>81 <area·href="../../d1/d96/a05654.html"·alt="BALL::ConnectivityBase"·shape="rect"·coords="0,168,341,192"/>
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172 <tr·class="memitem:a3bf161323d865a8bb1638045f02c454b·inherit·pro_methods_a05654"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d96/a05654.html#a3bf161323d865a8bb1638045f02c454b">calculate_</a>·(<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;ac)</td></tr>172 <tr·class="memitem:a3bf161323d865a8bb1638045f02c454b·inherit·pro_methods_a05654"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d96/a05654.html#a3bf161323d865a8bb1638045f02c454b">calculate_</a>·(<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;ac)</td></tr>
173 <tr·class="separator:a3bf161323d865a8bb1638045f02c454b·inherit·pro_methods_a05654"><td·class="memSeparator"·colspan="2">&#160;</td></tr>173 <tr·class="separator:a3bf161323d865a8bb1638045f02c454b·inherit·pro_methods_a05654"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
174 <tr·class="inherit_header·pro_methods_a05666"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a05666')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../da/d64/a05666.html">BALL::Descriptor</a></td></tr>174 <tr·class="inherit_header·pro_methods_a05666"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a05666')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../da/d64/a05666.html">BALL::Descriptor</a></td></tr>
175 </table>175 </table>
176 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>176 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
177 <div·class="textblock"><p·>This·descriptor·returns·the·Zagreb·Index,·which·is·calculated·as:·$\sum_i·d_i^2$,·over·all·heavy·atoms·</p>177 <div·class="textblock"><p·>This·descriptor·returns·the·Zagreb·Index,·which·is·calculated·as:·$\sum_i·d_i^2$,·over·all·heavy·atoms·</p>
  
178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">connectivityDescriptors.h</a>.</p>178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d21/a00368_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d8/d21/a00368_source.html">connectivityDescriptors.h</a>.</p>
179 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>179 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
180 <a·id="a835aba7ad85bbb269c159c6a1699d12b"·name="a835aba7ad85bbb269c159c6a1699d12b"></a>180 <a·id="a835aba7ad85bbb269c159c6a1699d12b"·name="a835aba7ad85bbb269c159c6a1699d12b"></a>
181 <h2·class="memtitle"><span·class="permalink"><a·href="#a835aba7ad85bbb269c159c6a1699d12b">&#9670;&nbsp;</a></span>ZagrebIndex()·<span·class="overload">[1/2]</span></h2>181 <h2·class="memtitle"><span·class="permalink"><a·href="#a835aba7ad85bbb269c159c6a1699d12b">&#9670;&nbsp;</a></span>ZagrebIndex()·<span·class="overload">[1/2]</span></h2>
  
182 <div·class="memitem">182 <div·class="memitem">
183 <div·class="memproto">183 <div·class="memproto">
184 ······<table·class="memname">184 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../dc/dd9/a04247.html">List·of·all·members</a>··</div>71 <a·href="../../dc/dd9/a04247.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordLINK::LinkPartner·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordLINK::LinkPartner·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a74d37a39ffaa95b80779628b9d58561b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dcc/a04250.html#a74d37a39ffaa95b80779628b9d58561b">atom_name</a></td></tr>79 <tr·class="memitem:a74d37a39ffaa95b80779628b9d58561b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dcc/a04250.html#a74d37a39ffaa95b80779628b9d58561b">atom_name</a></td></tr>
80 <tr·class="separator:a74d37a39ffaa95b80779628b9d58561b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a74d37a39ffaa95b80779628b9d58561b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a8643e8919c8a48d32d3a510d080cf569"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#aa56256be31288b3037d75d301a0d743f">Character</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dcc/a04250.html#a8643e8919c8a48d32d3a510d080cf569">alternate_location_indicator</a></td></tr>81 <tr·class="memitem:a8643e8919c8a48d32d3a510d080cf569"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#aa56256be31288b3037d75d301a0d743f">Character</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dcc/a04250.html#a8643e8919c8a48d32d3a510d080cf569">alternate_location_indicator</a></td></tr>
82 <tr·class="separator:a8643e8919c8a48d32d3a510d080cf569"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a8643e8919c8a48d32d3a510d080cf569"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:ad5521228cb1027ea74c37313ad756ed9"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dcc/a04250.html#ad5521228cb1027ea74c37313ad756ed9">residue</a></td></tr>83 <tr·class="memitem:ad5521228cb1027ea74c37313ad756ed9"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dcc/a04250.html#ad5521228cb1027ea74c37313ad756ed9">residue</a></td></tr>
84 <tr·class="separator:ad5521228cb1027ea74c37313ad756ed9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:ad5521228cb1027ea74c37313ad756ed9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock">87 <div·class="textblock">
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00795">795</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00795">795</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="a8643e8919c8a48d32d3a510d080cf569"·name="a8643e8919c8a48d32d3a510d080cf569"></a>90 <a·id="a8643e8919c8a48d32d3a510d080cf569"·name="a8643e8919c8a48d32d3a510d080cf569"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#a8643e8919c8a48d32d3a510d080cf569">&#9670;&nbsp;</a></span>alternate_location_indicator</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#a8643e8919c8a48d32d3a510d080cf569">&#9670;&nbsp;</a></span>alternate_location_indicator</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
93 <div·class="memproto">93 <div·class="memproto">
94 ······<table·class="memname">94 ······<table·class="memname">
95 ········<tr>95 ········<tr>
96 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#aa56256be31288b3037d75d301a0d743f">Character</a>·BALL::PDB::RecordLINK::LinkPartner::alternate_location_indicator</td>96 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#aa56256be31288b3037d75d301a0d743f">Character</a>·BALL::PDB::RecordLINK::LinkPartner::alternate_location_indicator</td>
97 ········</tr>97 ········</tr>
98 ······</table>98 ······</table>
99 </div><div·class="memdoc">99 </div><div·class="memdoc">
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00798">798</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00798">798</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
101 </div>101 </div>
102 </div>102 </div>
103 <a·id="a74d37a39ffaa95b80779628b9d58561b"·name="a74d37a39ffaa95b80779628b9d58561b"></a>103 <a·id="a74d37a39ffaa95b80779628b9d58561b"·name="a74d37a39ffaa95b80779628b9d58561b"></a>
104 <h2·class="memtitle"><span·class="permalink"><a·href="#a74d37a39ffaa95b80779628b9d58561b">&#9670;&nbsp;</a></span>atom_name</h2>104 <h2·class="memtitle"><span·class="permalink"><a·href="#a74d37a39ffaa95b80779628b9d58561b">&#9670;&nbsp;</a></span>atom_name</h2>
  
105 <div·class="memitem">105 <div·class="memitem">
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113 ········<tr>113 ········<tr>
114 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·BALL::PDB::RecordLINK::LinkPartner::atom_name</td>114 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·BALL::PDB::RecordLINK::LinkPartner::atom_name</td>
115 ········</tr>115 ········</tr>
116 ······</table>116 ······</table>
117 </div><div·class="memdoc">117 </div><div·class="memdoc">
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00797">797</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00797">797</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
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120 </div>120 </div>
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122 <h2·class="memtitle"><span·class="permalink"><a·href="#ad5521228cb1027ea74c37313ad756ed9">&#9670;&nbsp;</a></span>residue</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#ad5521228cb1027ea74c37313ad756ed9">&#9670;&nbsp;</a></span>residue</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
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129 ········<tr>129 ········<tr>
130 ··········<td·class="memname"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>·BALL::PDB::RecordLINK::LinkPartner::residue</td>130 ··········<td·class="memname"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>·BALL::PDB::RecordLINK::LinkPartner::residue</td>
131 ········</tr>131 ········</tr>
132 ······</table>132 ······</table>
133 </div><div·class="memdoc">133 </div><div·class="memdoc">
  
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136 </div>136 </div>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
 69 <a·href="#nested-classes">Classes</a>·&#124;
69 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
70 <a·href="#func-members">Functions</a>··</div> 
71 ··<div·class="headertitle"><div·class="title">ooiEnergy.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">triangulatedSAS.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d46/a01739_source.html">BALL/STRUCTURE/SASEdge.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../de/dc3/a01787_source.html">BALL/STRUCTURE/SASFace.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d0/d9d/a01760_source.html">BALL/STRUCTURE/solventAccessibleSurface.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../dc/d71/a01664_source.html">BALL/STRUCTURE/triangulatedSurface.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d2/d20/a01790_source.html">BALL/STRUCTURE/triangle.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d4/d41/a01661_source.html">BALL/STRUCTURE/triangleEdge.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../d7/d62/a01805_source.html">BALL/STRUCTURE/trianglePoint.h</a>&gt;</code><br·/>
 81 <code>#include·&lt;<a·class="el"·href="../../df/da9/a00263_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../db/dc3/a00284_source.html">BALL/MATHS/circle3.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../da/d5b/a00905_source.html">BALL/MOLMEC/COMMON/typeRuleProcessor.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../df/d9e/a00686_source.html">BALL/DATATYPE/hashGrid.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;list&gt;</code><br·/>
 86 <code>#include·&lt;vector&gt;</code><br·/>
76 </div>87 </div>
77 <p><a·href="../../d1/dd5/a01742_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../d1/dd5/a01742_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">89 <table·class="memberdecls">
 90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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 92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d35/a07306.html">BALL::TriangulatedSAS</a></td></tr>
 93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d09/a07310.html">BALL::SASTriangulator</a></td></tr>
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81 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>99 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table><table·class="memberdecls"> 
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
85 Functions</h2></td></tr> 
86 <tr·class="memitem:ga9e9d6d856fdfab50a675e8a15ce3125c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d1b/a02187.html#ga9e9d6d856fdfab50a675e8a15ce3125c">BALL::calculateOoiEnergy</a>·(AtomContainer·&amp;atoms)</td></tr> 
87 <tr·class="separator:ga9e9d6d856fdfab50a675e8a15ce3125c"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
88 </table>101 </table>
89 </div><!--·contents·-->102 </div><!--·contents·-->
90 <!--·start·footer·part·-->103 <!--·start·footer·part·-->
91 <hr·class="footer"/><address·class="footer"><small>104 <hr·class="footer"/><address·class="footer"><small>
92 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
93 </small></address>106 </small></address>
94 </body>107 </body>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../d2/d8c/a07279.html">List·of·all·members</a>··</div>71 <a·href="../../d2/d8c/a07279.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::SESSingularityCleaner::ProbeIntersection·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SESSingularityCleaner::ProbeIntersection·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dc/d25/a00596_source.html">BALL/STRUCTURE/solventExcludedSurface.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../db/d7f/a01718_source.html">BALL/STRUCTURE/solventExcludedSurface.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a1bac43d2c359ab5c744b4747e13490b4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dd6/a07282.html#a1bac43d2c359ab5c744b4747e13490b4">point</a>·[2]</td></tr>79 <tr·class="memitem:a1bac43d2c359ab5c744b4747e13490b4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dd6/a07282.html#a1bac43d2c359ab5c744b4747e13490b4">point</a>·[2]</td></tr>
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81 </table>81 </table>
82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock">83 <div·class="textblock">
84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d25/a00596_source.html#l00464">464</a>·of·file·<a·class="el"·href="../../dc/d25/a00596_source.html">solventExcludedSurface.h</a>.</p>84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7f/a01718_source.html#l00464">464</a>·of·file·<a·class="el"·href="../../db/d7f/a01718_source.html">solventExcludedSurface.h</a>.</p>
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86 <a·id="a1bac43d2c359ab5c744b4747e13490b4"·name="a1bac43d2c359ab5c744b4747e13490b4"></a>86 <a·id="a1bac43d2c359ab5c744b4747e13490b4"·name="a1bac43d2c359ab5c744b4747e13490b4"></a>
87 <h2·class="memtitle"><span·class="permalink"><a·href="#a1bac43d2c359ab5c744b4747e13490b4">&#9670;&nbsp;</a></span>point</h2>87 <h2·class="memtitle"><span·class="permalink"><a·href="#a1bac43d2c359ab5c744b4747e13490b4">&#9670;&nbsp;</a></span>point</h2>
  
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89 <div·class="memproto">89 <div·class="memproto">
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91 ········<tr>91 ········<tr>
92 ··········<td·class="memname"><a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::SESSingularityCleaner::ProbeIntersection::point[2]</td>92 ··········<td·class="memname"><a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::SESSingularityCleaner::ProbeIntersection::point[2]</td>
93 ········</tr>93 ········</tr>
94 ······</table>94 ······</table>
95 </div><div·class="memdoc">95 </div><div·class="memdoc">
  
96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d25/a00596_source.html#l00466">466</a>·of·file·<a·class="el"·href="../../dc/d25/a00596_source.html">solventExcludedSurface.h</a>.</p>96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7f/a01718_source.html#l00466">466</a>·of·file·<a·class="el"·href="../../db/d7f/a01718_source.html">solventExcludedSurface.h</a>.</p>
  
97 </div>97 </div>
98 </div>98 </div>
99 </div><!--·contents·-->99 </div><!--·contents·-->
100 <!--·start·footer·part·-->100 <!--·start·footer·part·-->
101 <hr·class="footer"/><address·class="footer"><small>101 <hr·class="footer"/><address·class="footer"><small>
102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../d3/d77/a07531.html">List·of·all·members</a>··</div>72 <a·href="../../d3/d77/a07531.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::AtomOverview::OverviewProcessor·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::AtomOverview::OverviewProcessor·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/VIEW/DIALOGS/atomOverview.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../da/d79/a01310_source.html">BALL/VIEW/DIALOGS/atomOverview.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::AtomOverview::OverviewProcessor:</div>78 Inheritance·diagram·for·BALL::VIEW::AtomOverview::OverviewProcessor:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d1/dd6/a07534.png"·usemap="#BALL::VIEW::AtomOverview::OverviewProcessor_map"·alt=""/>81 ··<img·src="../../d1/dd6/a07534.png"·usemap="#BALL::VIEW::AtomOverview::OverviewProcessor_map"·alt=""/>
82 ··<map·id="BALL::VIEW::AtomOverview::OverviewProcessor_map"·name="BALL::VIEW::AtomOverview::OverviewProcessor_map">82 ··<map·id="BALL::VIEW::AtomOverview::OverviewProcessor_map"·name="BALL::VIEW::AtomOverview::OverviewProcessor_map">
83 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Composite·&gt;"·shape="rect"·coords="0,56,316,80"/>83 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Composite·&gt;"·shape="rect"·coords="0,56,316,80"/>
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133 <tr·class="memitem:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#aca8cefb33c4b6745e085cd5b908528b1">argument_pointer</a></td></tr>133 <tr·class="memitem:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#aca8cefb33c4b6745e085cd5b908528b1">argument_pointer</a></td></tr>
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135 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>135 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
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138 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>138 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
139 <div·class="textblock">139 <div·class="textblock">
140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">atomOverview.h</a>.</p>140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d79/a01310_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../da/d79/a01310_source.html">atomOverview.h</a>.</p>
141 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>141 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
142 <a·id="aa50cd75b249140b54862b279a4ddce0a"·name="aa50cd75b249140b54862b279a4ddce0a"></a>142 <a·id="aa50cd75b249140b54862b279a4ddce0a"·name="aa50cd75b249140b54862b279a4ddce0a"></a>
143 <h2·class="memtitle"><span·class="permalink"><a·href="#aa50cd75b249140b54862b279a4ddce0a">&#9670;&nbsp;</a></span>OverviewProcessor()·<span·class="overload">[1/2]</span></h2>143 <h2·class="memtitle"><span·class="permalink"><a·href="#aa50cd75b249140b54862b279a4ddce0a">&#9670;&nbsp;</a></span>OverviewProcessor()·<span·class="overload">[1/2]</span></h2>
  
144 <div·class="memitem">144 <div·class="memitem">
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251 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>251 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
252 ··</tr>252 ··</tr>
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254 </div><div·class="memdoc">254 </div><div·class="memdoc">
  
255 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">atomOverview.h</a>.</p>255 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d79/a01310_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../da/d79/a01310_source.html">atomOverview.h</a>.</p>
  
256 </div>256 </div>
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259 <h2·class="memtitle"><span·class="permalink"><a·href="#ac274f352942a9e725234f8e3b738ab0f">&#9670;&nbsp;</a></span>showOnlySelection()</h2>259 <h2·class="memtitle"><span·class="permalink"><a·href="#ac274f352942a9e725234f8e3b738ab0f">&#9670;&nbsp;</a></span>showOnlySelection()</h2>
  
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277 ··</td>277 ··</td>
278 ··<td·class="mlabels-right">278 ··<td·class="mlabels-right">
279 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>279 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
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302 ··</td>302 ··</td>
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304 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>304 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
305 ··</tr>305 ··</tr>
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307 </div><div·class="memdoc">307 </div><div·class="memdoc">
  
308 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">atomOverview.h</a>.</p>308 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d79/a01310_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../da/d79/a01310_source.html">atomOverview.h</a>.</p>
  
309 </div>309 </div>
310 </div>310 </div>
311 <a·id="aec1b383352432e93187116b90ef128fd"·name="aec1b383352432e93187116b90ef128fd"></a>311 <a·id="aec1b383352432e93187116b90ef128fd"·name="aec1b383352432e93187116b90ef128fd"></a>
312 <h2·class="memtitle"><span·class="permalink"><a·href="#aec1b383352432e93187116b90ef128fd">&#9670;&nbsp;</a></span>table_</h2>312 <h2·class="memtitle"><span·class="permalink"><a·href="#aec1b383352432e93187116b90ef128fd">&#9670;&nbsp;</a></span>table_</h2>
  
313 <div·class="memitem">313 <div·class="memitem">
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326 ··</td>326 ··</td>
327 ··<td·class="mlabels-right">327 ··<td·class="mlabels-right">
328 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>328 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
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75 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockResultController·Class·Reference</div></div>75 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockResultController·Class·Reference</div></div>
76 </div><!--header-->76 </div><!--header-->
77 <div·class="contents">77 <div·class="contents">
  
78 <p><code>#include·&lt;<a·class="el"·href="../../dc/d47/a01487_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
80 Inheritance·diagram·for·BALL::VIEW::DockResultController:</div>80 Inheritance·diagram·for·BALL::VIEW::DockResultController:</div>
81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../d1/dd7/a07498.png"·usemap="#BALL::VIEW::DockResultController_map"·alt=""/>83 ··<img·src="../../d1/dd7/a07498.png"·usemap="#BALL::VIEW::DockResultController_map"·alt=""/>
84 ··<map·id="BALL::VIEW::DockResultController_map"·name="BALL::VIEW::DockResultController_map">84 ··<map·id="BALL::VIEW::DockResultController_map"·name="BALL::VIEW::DockResultController_map">
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247 <tr·class="separator:a8a09dd255c6398317d052f83ecba16c3·inherit·pro_attribs_a07482"><td·class="memSeparator"·colspan="2">&#160;</td></tr>247 <tr·class="separator:a8a09dd255c6398317d052f83ecba16c3·inherit·pro_attribs_a07482"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
248 </table>248 </table>
249 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>249 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
250 <div·class="textblock"><p·>Controller·base·class·for·one·type·of·<a·class="el"·href="../../dd/d74/a07478.html">Dataset</a>·</p>250 <div·class="textblock"><p·>Controller·base·class·for·one·type·of·<a·class="el"·href="../../dd/d74/a07478.html">Dataset</a>·</p>
  
251 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d47/a01487_source.html#l00201">201</a>·of·file·<a·class="el"·href="../../dc/d47/a01487_source.html">standardDatasets.h</a>.</p>251 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00201">201</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
252 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>252 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
253 <a·id="a4f3b96ef2e540fc745fee4dde5d92fe1"·name="a4f3b96ef2e540fc745fee4dde5d92fe1"></a>253 <a·id="a4f3b96ef2e540fc745fee4dde5d92fe1"·name="a4f3b96ef2e540fc745fee4dde5d92fe1"></a>
254 <h2·class="memtitle"><span·class="permalink"><a·href="#a4f3b96ef2e540fc745fee4dde5d92fe1">&#9670;&nbsp;</a></span>DockResultController()·<span·class="overload">[1/2]</span></h2>254 <h2·class="memtitle"><span·class="permalink"><a·href="#a4f3b96ef2e540fc745fee4dde5d92fe1">&#9670;&nbsp;</a></span>DockResultController()·<span·class="overload">[1/2]</span></h2>
  
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567 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>567 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
568 ··</tr>568 ··</tr>
569 </table>569 </table>
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571 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d47/a01487_source.html#l00234">234</a>·of·file·<a·class="el"·href="../../dc/d47/a01487_source.html">standardDatasets.h</a>.</p>571 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00234">234</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
  
572 </div>572 </div>
573 </div>573 </div>
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575 <!--·start·footer·part·-->575 <!--·start·footer·part·-->
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d8/d5e/a05103.html">List·of·all·members</a>··</div>71 <a·href="../../d8/d5e/a05103.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::RuleProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d4/d63/a02173.html">Rule-based·parameter·assignment</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::RuleProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d4/d63/a02173.html">Rule-based·parameter·assignment</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d8a/a00899_source.html">BALL/MOLMEC/COMMON/ruleProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/MOLMEC/COMMON/ruleProcessor.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
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78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d1/ddb/a05106.png"·usemap="#BALL::RuleProcessor_map"·alt=""/>80 ··<img·src="../../d1/ddb/a05106.png"·usemap="#BALL::RuleProcessor_map"·alt=""/>
81 ··<map·id="BALL::RuleProcessor_map"·name="BALL::RuleProcessor_map">81 ··<map·id="BALL::RuleProcessor_map"·name="BALL::RuleProcessor_map">
82 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="444,56,730,80"/>82 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="444,56,730,80"/>
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
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78 <table·class="memberdecls">78 <table·class="memberdecls">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">colorMap.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">backboneModel.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d21/a01484_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d47/a01487_source.html">BALL/VIEW/MODELS/modelProcessor.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d3/d92/a01796_source.html">BALL/MATHS/vector4.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
76 <code>#include·&lt;vector&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00578_source.html">BALL/KERNEL/secondaryStructure.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d5/dee/a00518_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
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78 <p><a·href="../../d1/de4/a01481_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../d1/de4/a01481_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">81 <table·class="memberdecls">
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 85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/df8/a08026.html">BALL::VIEW::AddBackboneModel::ModelPart</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
86 Namespaces</h2></td></tr>90 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>93 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../d8/d50/a08219.html">List·of·all·members</a>··</div>71 <a·href="../../d8/d50/a08219.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLDisplayList·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../de/d8e/a02213.html">Renderer</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLDisplayList·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../de/d8e/a02213.html">Renderer</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dd/de4/a01121_source.html">BALL/VIEW/RENDERING/glDisplayList.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d8/d7b/a01478_source.html">BALL/VIEW/RENDERING/glDisplayList.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
78 Classes</h2></td></tr>78 Classes</h2></td></tr>
79 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/da9/a08234.html">DisplayListRedeclaration</a></td></tr>79 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/da9/a08234.html">DisplayListRedeclaration</a></td></tr>
80 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dc8/a08226.html">NestedDisplayList</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dc8/a08226.html">NestedDisplayList</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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128 <tr·class="separator:a724517cf02c72b24659c1ba2ef821b57"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a724517cf02c72b24659c1ba2ef821b57"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 <tr·class="memitem:af81aacf2fc7d7819040408921dc47605"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dea/a08222.html#af81aacf2fc7d7819040408921dc47605">dump</a>·(std::ostream·&amp;s=std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0)·const</td></tr>129 <tr·class="memitem:af81aacf2fc7d7819040408921dc47605"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dea/a08222.html#af81aacf2fc7d7819040408921dc47605">dump</a>·(std::ostream·&amp;s=std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0)·const</td></tr>
130 <tr·class="separator:af81aacf2fc7d7819040408921dc47605"><td·class="memSeparator"·colspan="2">&#160;</td></tr>130 <tr·class="separator:af81aacf2fc7d7819040408921dc47605"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
131 </table>131 </table>
132 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>132 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
133 <div·class="textblock"><p·><a·class="el"·href="../../d1/dea/a08222.html">GLDisplayList</a>·class.·The·class·<a·class="el"·href="../../d1/dea/a08222.html">GLDisplayList</a>·is·a·container·for·graphical·objects.·Graphical·objects·can·be·drawn·directly·to·the·screen·or·they·can·be·stored·in·a·display·list·for·faster·drawing·afterwards.·This·class·provides·the·means·for·storing·graphical·objects·in·a·own·display·list.·This·class·is·a·wrapper·class·for·the·OpenGL·display·list·mechanims.·It·defines·some·useful·methods·for·easy·creation·of·a·display·list·and·handles·errors·that·can·occur·when·using·display·lists.·See·the·OpenGL·defintion·of·display·lists·for·further·information·concerning·display·lists.·</p>133 <div·class="textblock"><p·><a·class="el"·href="../../d1/dea/a08222.html">GLDisplayList</a>·class.·The·class·<a·class="el"·href="../../d1/dea/a08222.html">GLDisplayList</a>·is·a·container·for·graphical·objects.·Graphical·objects·can·be·drawn·directly·to·the·screen·or·they·can·be·stored·in·a·display·list·for·faster·drawing·afterwards.·This·class·provides·the·means·for·storing·graphical·objects·in·a·own·display·list.·This·class·is·a·wrapper·class·for·the·OpenGL·display·list·mechanims.·It·defines·some·useful·methods·for·easy·creation·of·a·display·list·and·handles·errors·that·can·occur·when·using·display·lists.·See·the·OpenGL·defintion·of·display·lists·for·further·information·concerning·display·lists.·</p>
  
134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de4/a01121_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../dd/de4/a01121_source.html">glDisplayList.h</a>.</p>134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d7b/a01478_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d8/d7b/a01478_source.html">glDisplayList.h</a>.</p>
135 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>135 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
136 <a·id="a02ca085a40ef2f5fe492cc3cee1f06db"·name="a02ca085a40ef2f5fe492cc3cee1f06db"></a>136 <a·id="a02ca085a40ef2f5fe492cc3cee1f06db"·name="a02ca085a40ef2f5fe492cc3cee1f06db"></a>
137 <h2·class="memtitle"><span·class="permalink"><a·href="#a02ca085a40ef2f5fe492cc3cee1f06db">&#9670;&nbsp;</a></span>GLList</h2>137 <h2·class="memtitle"><span·class="permalink"><a·href="#a02ca085a40ef2f5fe492cc3cee1f06db">&#9670;&nbsp;</a></span>GLList</h2>
  
138 <div·class="memitem">138 <div·class="memitem">
139 <div·class="memproto">139 <div·class="memproto">
140 ······<table·class="memname">140 ······<table·class="memname">
141 ········<tr>141 ········<tr>
142 ··········<td·class="memname">typedef·unsigned·long·<a·class="el"·href="../../d1/dea/a08222.html#a02ca085a40ef2f5fe492cc3cee1f06db">BALL::VIEW::GLDisplayList::GLList</a></td>142 ··········<td·class="memname">typedef·unsigned·long·<a·class="el"·href="../../d1/dea/a08222.html#a02ca085a40ef2f5fe492cc3cee1f06db">BALL::VIEW::GLDisplayList::GLList</a></td>
143 ········</tr>143 ········</tr>
144 ······</table>144 ······</table>
145 </div><div·class="memdoc">145 </div><div·class="memdoc">
146 <p·>GLList·definition.·A·display·list·is·stored·as·a·number.·For·convienence·a·type·is·declared·that·represents·such·a·display·list.·</p>146 <p·>GLList·definition.·A·display·list·is·stored·as·a·number.·For·convienence·a·type·is·declared·that·represents·such·a·display·list.·</p>
  
147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de4/a01121_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../dd/de4/a01121_source.html">glDisplayList.h</a>.</p>147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d7b/a01478_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d8/d7b/a01478_source.html">glDisplayList.h</a>.</p>
  
148 </div>148 </div>
149 </div>149 </div>
150 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>150 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
151 <a·id="ade298c4f61a719ea7d8e3dca149e49e1"·name="ade298c4f61a719ea7d8e3dca149e49e1"></a>151 <a·id="ade298c4f61a719ea7d8e3dca149e49e1"·name="ade298c4f61a719ea7d8e3dca149e49e1"></a>
152 <h2·class="memtitle"><span·class="permalink"><a·href="#ade298c4f61a719ea7d8e3dca149e49e1">&#9670;&nbsp;</a></span>GLDisplayList()</h2>152 <h2·class="memtitle"><span·class="permalink"><a·href="#ade298c4f61a719ea7d8e3dca149e49e1">&#9670;&nbsp;</a></span>GLDisplayList()</h2>
  
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366 ··<td·class="mlabels-right">366 ··<td·class="mlabels-right">
367 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>367 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
368 ··</tr>368 ··</tr>
369 </table>369 </table>
370 </div><div·class="memdoc">370 </div><div·class="memdoc">
371 <p·>Internal·state·and·consistency·self-validation.·A·glDisplayList·is·valid·if·a·display·list·is·already·defined.·</p>371 <p·>Internal·state·and·consistency·self-validation.·A·glDisplayList·is·valid·if·a·display·list·is·already·defined.·</p>
  
372 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de4/a01121_source.html#l00211">211</a>·of·file·<a·class="el"·href="../../dd/de4/a01121_source.html">glDisplayList.h</a>.</p>372 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d7b/a01478_source.html#l00211">211</a>·of·file·<a·class="el"·href="../../d8/d7b/a01478_source.html">glDisplayList.h</a>.</p>
  
373 </div>373 </div>
374 </div>374 </div>
375 <a·id="a60a867b1c138b7fe8d61db08678f0e34"·name="a60a867b1c138b7fe8d61db08678f0e34"></a>375 <a·id="a60a867b1c138b7fe8d61db08678f0e34"·name="a60a867b1c138b7fe8d61db08678f0e34"></a>
376 <h2·class="memtitle"><span·class="permalink"><a·href="#a60a867b1c138b7fe8d61db08678f0e34">&#9670;&nbsp;</a></span>startDefinition()</h2>376 <h2·class="memtitle"><span·class="permalink"><a·href="#a60a867b1c138b7fe8d61db08678f0e34">&#9670;&nbsp;</a></span>startDefinition()</h2>
  
377 <div·class="memitem">377 <div·class="memitem">
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462 ··<td·class="mlabels-right">462 ··<td·class="mlabels-right">
463 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>463 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
464 ··</tr>464 ··</tr>
465 </table>465 </table>
466 </div><div·class="memdoc">466 </div><div·class="memdoc">
467 <p·>Empty·display·list.·A·predefined·value·for·an·empty·display·list·is·defined·as·<b>·DISPLAYLIST_NOT_DEFINED</b>.·</p>467 <p·>Empty·display·list.·A·predefined·value·for·an·empty·display·list·is·defined·as·<b>·DISPLAYLIST_NOT_DEFINED</b>.·</p>
  
468 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de4/a01121_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../dd/de4/a01121_source.html">glDisplayList.h</a>.</p>468 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d7b/a01478_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d8/d7b/a01478_source.html">glDisplayList.h</a>.</p>
  
469 </div>469 </div>
470 </div>470 </div>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../dd/dac/a04195.html">List·of·all·members</a>··</div>71 <a·href="../../dd/dac/a04195.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordFTNOTE·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordFTNOTE·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a5fa2c8c0142ac838ef524b96262bcca3"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/def/a04198.html#a5fa2c8c0142ac838ef524b96262bcca3">record_type</a></td></tr>79 <tr·class="memitem:a5fa2c8c0142ac838ef524b96262bcca3"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/def/a04198.html#a5fa2c8c0142ac838ef524b96262bcca3">record_type</a></td></tr>
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82 <tr·class="separator:a5b4566371f3752bf3533fd55e7ddba26"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a5b4566371f3752bf3533fd55e7ddba26"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a62f9598022b36f1d92ca33f4aaf38c11"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/def/a04198.html#a62f9598022b36f1d92ca33f4aaf38c11">number</a></td></tr>83 <tr·class="memitem:a62f9598022b36f1d92ca33f4aaf38c11"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/def/a04198.html#a62f9598022b36f1d92ca33f4aaf38c11">number</a></td></tr>
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71 <a·href="../../db/de3/a05387.html">List·of·all·members</a>··</div>71 <a·href="../../db/de3/a05387.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::LennardJones::Data·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::LennardJones::Data·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d8b/a00821_source.html">BALL/MOLMEC/PARAMETER/lennardJones.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d3/df8/a00155_source.html">BALL/MOLMEC/PARAMETER/lennardJones.h</a>&gt;</code></p>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d9/dba/a06891.html">List·of·all·members</a>··</div>71 <a·href="../../d9/dba/a06891.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::TranslationProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../d8/db0/a02196.html">Geometric·property·processors.</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TranslationProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../d8/db0/a02196.html">Geometric·property·processors.</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/dae/a00767_source.html">BALL/STRUCTURE/geometricTransformations.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/dd6/a01820_source.html">BALL/STRUCTURE/geometricTransformations.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::TranslationProcessor:</div>77 Inheritance·diagram·for·BALL::TranslationProcessor:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d1/df7/a06894.png"·usemap="#BALL::TranslationProcessor_map"·alt=""/>80 ··<img·src="../../d1/df7/a06894.png"·usemap="#BALL::TranslationProcessor_map"·alt=""/>
81 ··<map·id="BALL::TranslationProcessor_map"·name="BALL::TranslationProcessor_map">81 ··<map·id="BALL::TranslationProcessor_map"·name="BALL::TranslationProcessor_map">
82 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>82 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>
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125 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>125 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
126 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>126 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
127 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>127 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
128 </table>128 </table>
129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
130 <div·class="textblock"><p·>Translation·processor.·This·processor·executes·a·translation·on·each·atom·of·a·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object.·The·translation·may·be·given·in·the·constructor,·or·by·calling·setTranslation.·Applying·the·processor·to·a·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object·will·add·the·given·translation·vector·to·the·coordinates·of·each·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object·(and·derived·classes).·</p><dl·class="section·user"><dt></dt><dd></dd></dl>130 <div·class="textblock"><p·>Translation·processor.·This·processor·executes·a·translation·on·each·atom·of·a·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object.·The·translation·may·be·given·in·the·constructor,·or·by·calling·setTranslation.·Applying·the·processor·to·a·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object·will·add·the·given·translation·vector·to·the·coordinates·of·each·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object·(and·derived·classes).·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dae/a00767_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d5/dae/a00767_source.html">geometricTransformations.h</a>.</p>131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dd6/a01820_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d5/dd6/a01820_source.html">geometricTransformations.h</a>.</p>
132 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>132 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
133 <a·id="a940d760a02bb4b769032d361cc4d27b5"·name="a940d760a02bb4b769032d361cc4d27b5"></a>133 <a·id="a940d760a02bb4b769032d361cc4d27b5"·name="a940d760a02bb4b769032d361cc4d27b5"></a>
134 <h2·class="memtitle"><span·class="permalink"><a·href="#a940d760a02bb4b769032d361cc4d27b5">&#9670;&nbsp;</a></span>TranslationProcessor()·<span·class="overload">[1/2]</span></h2>134 <h2·class="memtitle"><span·class="permalink"><a·href="#a940d760a02bb4b769032d361cc4d27b5">&#9670;&nbsp;</a></span>TranslationProcessor()·<span·class="overload">[1/2]</span></h2>
  
135 <div·class="memitem">135 <div·class="memitem">
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63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">compositeManager.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">logView.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d7d/a01880_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d5/d67/a01070_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;QtWidgets/QTextBrowser&gt;</code><br·/>
 77 <code>#include·&lt;QtGui/QDragEnterEvent&gt;</code><br·/>
 78 <code>#include·&lt;QtGui/QDragLeaveEvent&gt;</code><br·/>
 79 <code>#include·&lt;QtGui/QDropEvent&gt;</code><br·/>
75 </div>80 </div>
76 <p><a·href="../../d1/dfa/a01097_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../d1/dfa/a01097_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">82 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>84 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d6e/a07794.html">BALL::VIEW::CompositeManager</a></td></tr>85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d05/a08434.html">BALL::VIEW::DragLogView</a></td></tr>
 86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/ded/a08438.html">BALL::VIEW::LogView</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
84 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>94 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>
65 </div>65 </div>
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 70 <a·href="#typedef-members">Typedefs</a>··</div>
71 ··<div·class="headertitle"><div·class="title">gridedPLP.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">complex.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d22/a00245_source.html">BALL/SCORING/COMMON/diffGridBasedScoring.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/d40/a00959_source.html">BALL/MOLMEC/MMFF94/MMFF94.h</a>&gt;</code><br·/>75 <code>#include·&lt;complex&gt;</code><br·/>
76 </div>76 </div>
77 <p><a·href="../../d2/d04/a00281_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d2/d04/a00281_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
80 Classes</h2></td></tr> 
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9c/a06398.html">BALL::GridedPLP</a></td></tr> 
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
83 </table><table·class="memberdecls"> 
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
85 Namespaces</h2></td></tr>80 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>81 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 83 </table><table·class="memberdecls">
 84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
 85 Typedefs</h2></td></tr>
 86 <tr·class="memitem:ae9f52d0eb4d93b3ed3464538a4a96989"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::complex&lt;·BALL_COMPLEX_PRECISION·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ae9f52d0eb4d93b3ed3464538a4a96989">BALL::Complex</a></td></tr>
 87 <tr·class="separator:ae9f52d0eb4d93b3ed3464538a4a96989"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 </div><!--·contents·-->89 </div><!--·contents·-->
90 <!--·start·footer·part·-->90 <!--·start·footer·part·-->
91 <hr·class="footer"/><address·class="footer"><small>91 <hr·class="footer"/><address·class="footer"><small>
92 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.492 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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123 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*&gt;·<a·class="el"·href="../../d2/d08/a02148.html#ga79a63e6c31ee1b69fc6520fe1b40d971">BALL::AtomList</a></td>123 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*&gt;·<a·class="el"·href="../../d2/d08/a02148.html#ga79a63e6c31ee1b69fc6520fe1b40d971">BALL::AtomList</a></td>
124 ········</tr>124 ········</tr>
125 ······</table>125 ······</table>
126 </div><div·class="memdoc">126 </div><div·class="memdoc">
127 <p·>Kernel·object·list·classes.·These·classes·can·be·used·to·hold·pointers·to·kernel·objects.·They·are·returned·by·kernel·extractors.·These·lists·are·a·convenient·way·to·execute·operations·on·subsets·of·kernel·structures·and·an·often·convenient,·albeit·slower,·alternative·to·iterators.·<code>They</code>·are·just·convenient·tyepdefs,·so·they·will·behave·exactly·as·any·STL·list.·In·order·to·create·these·lists·from·kernel·objects,·use·<a·class="el"·href="../../">extractors·</a>.·</p>127 <p·>Kernel·object·list·classes.·These·classes·can·be·used·to·hold·pointers·to·kernel·objects.·They·are·returned·by·kernel·extractors.·These·lists·are·a·convenient·way·to·execute·operations·on·subsets·of·kernel·structures·and·an·often·convenient,·albeit·slower,·alternative·to·iterators.·<code>They</code>·are·just·convenient·tyepdefs,·so·they·will·behave·exactly·as·any·STL·list.·In·order·to·create·these·lists·from·kernel·objects,·use·<a·class="el"·href="../../">extractors·</a>.·</p>
  
128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d8e/a00344_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../d8/d8e/a00344_source.html">extractors.h</a>.</p>128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d24/a00524_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../d9/d24/a00524_source.html">extractors.h</a>.</p>
  
129 </div>129 </div>
130 </div>130 </div>
131 <h2·class="groupheader">Function·Documentation</h2>131 <h2·class="groupheader">Function·Documentation</h2>
132 <a·id="ga66b7bde1348f03824bb0af435d93b9a0"·name="ga66b7bde1348f03824bb0af435d93b9a0"></a>132 <a·id="ga66b7bde1348f03824bb0af435d93b9a0"·name="ga66b7bde1348f03824bb0af435d93b9a0"></a>
133 <h2·class="memtitle"><span·class="permalink"><a·href="#ga66b7bde1348f03824bb0af435d93b9a0">&#9670;&nbsp;</a></span>atoms()</h2>133 <h2·class="memtitle"><span·class="permalink"><a·href="#ga66b7bde1348f03824bb0af435d93b9a0">&#9670;&nbsp;</a></span>atoms()</h2>
  
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71 <a·href="../../da/d53/a04111.html">List·of·all·members</a>··</div>71 <a·href="../../da/d53/a04111.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordAUTHOR·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordAUTHOR·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a568ea68fc5c21117a84cfd034dcc09b4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d0e/a04114.html#a568ea68fc5c21117a84cfd034dcc09b4">record_type</a></td></tr>79 <tr·class="memitem:a568ea68fc5c21117a84cfd034dcc09b4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d0e/a04114.html#a568ea68fc5c21117a84cfd034dcc09b4">record_type</a></td></tr>
80 <tr·class="separator:a568ea68fc5c21117a84cfd034dcc09b4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a568ea68fc5c21117a84cfd034dcc09b4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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82 <tr·class="separator:a667bcc16e114d6a21129222739c576f5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a667bcc16e114d6a21129222739c576f5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a4f25bf92ceda9b59cbd3ecdbc58becdc"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a0cbac9ad1d23edeb1571c578d3c692ba">Continuation</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d0e/a04114.html#a4f25bf92ceda9b59cbd3ecdbc58becdc">continuation</a></td></tr>83 <tr·class="memitem:a4f25bf92ceda9b59cbd3ecdbc58becdc"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a0cbac9ad1d23edeb1571c578d3c692ba">Continuation</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d0e/a04114.html#a4f25bf92ceda9b59cbd3ecdbc58becdc">continuation</a></td></tr>
84 <tr·class="separator:a4f25bf92ceda9b59cbd3ecdbc58becdc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a4f25bf92ceda9b59cbd3ecdbc58becdc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 <tr·class="memitem:aacce32cd1b327b215af2809452f4190c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#acebeb0b6dea390e81aee5978282bb859">PDBList</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d0e/a04114.html#aacce32cd1b327b215af2809452f4190c">authors</a></td></tr>85 <tr·class="memitem:aacce32cd1b327b215af2809452f4190c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#acebeb0b6dea390e81aee5978282bb859">PDBList</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d0e/a04114.html#aacce32cd1b327b215af2809452f4190c">authors</a></td></tr>
86 <tr·class="separator:aacce32cd1b327b215af2809452f4190c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:aacce32cd1b327b215af2809452f4190c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table>87 </table>
88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
89 <div·class="textblock">89 <div·class="textblock">
90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00415">415</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00415">415</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
91 </div><h2·class="groupheader">Member·Data·Documentation</h2>91 </div><h2·class="groupheader">Member·Data·Documentation</h2>
92 <a·id="aacce32cd1b327b215af2809452f4190c"·name="aacce32cd1b327b215af2809452f4190c"></a>92 <a·id="aacce32cd1b327b215af2809452f4190c"·name="aacce32cd1b327b215af2809452f4190c"></a>
93 <h2·class="memtitle"><span·class="permalink"><a·href="#aacce32cd1b327b215af2809452f4190c">&#9670;&nbsp;</a></span>authors</h2>93 <h2·class="memtitle"><span·class="permalink"><a·href="#aacce32cd1b327b215af2809452f4190c">&#9670;&nbsp;</a></span>authors</h2>
  
94 <div·class="memitem">94 <div·class="memitem">
95 <div·class="memproto">95 <div·class="memproto">
96 ······<table·class="memname">96 ······<table·class="memname">
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98 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#acebeb0b6dea390e81aee5978282bb859">PDBList</a>·BALL::PDB::RecordAUTHOR::authors</td>98 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#acebeb0b6dea390e81aee5978282bb859">PDBList</a>·BALL::PDB::RecordAUTHOR::authors</td>
99 ········</tr>99 ········</tr>
100 ······</table>100 ······</table>
101 </div><div·class="memdoc">101 </div><div·class="memdoc">
  
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00420">420</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00420">420</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
103 </div>103 </div>
104 </div>104 </div>
105 <a·id="a4f25bf92ceda9b59cbd3ecdbc58becdc"·name="a4f25bf92ceda9b59cbd3ecdbc58becdc"></a>105 <a·id="a4f25bf92ceda9b59cbd3ecdbc58becdc"·name="a4f25bf92ceda9b59cbd3ecdbc58becdc"></a>
106 <h2·class="memtitle"><span·class="permalink"><a·href="#a4f25bf92ceda9b59cbd3ecdbc58becdc">&#9670;&nbsp;</a></span>continuation</h2>106 <h2·class="memtitle"><span·class="permalink"><a·href="#a4f25bf92ceda9b59cbd3ecdbc58becdc">&#9670;&nbsp;</a></span>continuation</h2>
  
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116 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a0cbac9ad1d23edeb1571c578d3c692ba">Continuation</a>·BALL::PDB::RecordAUTHOR::continuation</td>116 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a0cbac9ad1d23edeb1571c578d3c692ba">Continuation</a>·BALL::PDB::RecordAUTHOR::continuation</td>
117 ········</tr>117 ········</tr>
118 ······</table>118 ······</table>
119 </div><div·class="memdoc">119 </div><div·class="memdoc">
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00419">419</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00419">419</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
121 </div>121 </div>
122 </div>122 </div>
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124 <h2·class="memtitle"><span·class="permalink"><a·href="#a667bcc16e114d6a21129222739c576f5">&#9670;&nbsp;</a></span>record_name</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#a667bcc16e114d6a21129222739c576f5">&#9670;&nbsp;</a></span>record_name</h2>
  
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132 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordAUTHOR::record_name</td>132 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordAUTHOR::record_name</td>
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134 ······</table>134 ······</table>
135 </div><div·class="memdoc">135 </div><div·class="memdoc">
  
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00418">418</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00418">418</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
137 </div>137 </div>
138 </div>138 </div>
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148 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordAUTHOR::record_type</td>148 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordAUTHOR::record_type</td>
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151 </div><div·class="memdoc">151 </div><div·class="memdoc">
  
152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00417">417</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00417">417</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
153 </div>153 </div>
154 </div>154 </div>
155 </div><!--·contents·-->155 </div><!--·contents·-->
156 <!--·start·footer·part·-->156 <!--·start·footer·part·-->
157 <hr·class="footer"/><address·class="footer"><small>157 <hr·class="footer"/><address·class="footer"><small>
158 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4158 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="../../da/db0/a03747.html">List·of·all·members</a>··</div>72 <a·href="../../da/db0/a03747.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::GenericGene·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::GenericGene·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d6/d60/a00491_source.html">BALL/DOCKING/GENETICDOCK/genes.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d8/daf/a01550_source.html">BALL/DOCKING/GENETICDOCK/genes.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::GenericGene:</div>78 Inheritance·diagram·for·BALL::GenericGene:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d2/d17/a03750.png"·usemap="#BALL::GenericGene_map"·alt=""/>81 ··<img·src="../../d2/d17/a03750.png"·usemap="#BALL::GenericGene_map"·alt=""/>
82 ··<map·id="BALL::GenericGene_map"·name="BALL::GenericGene_map">82 ··<map·id="BALL::GenericGene_map"·name="BALL::GenericGene_map">
83 <area·href="../../d9/dae/a03754.html"·alt="BALL::DoubleGene"·shape="rect"·coords="0,56,142,80"/>83 <area·href="../../d9/dae/a03754.html"·alt="BALL::DoubleGene"·shape="rect"·coords="0,56,142,80"/>
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107 <tr·class="separator:af848aae5e57d30904a96e9f30b011a17"><td·class="memSeparator"·colspan="2">&#160;</td></tr>107 <tr·class="separator:af848aae5e57d30904a96e9f30b011a17"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
108 <tr·class="memitem:aa17a5330120d334c94c07edf7a647d90"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d17/a03750.html#aa17a5330120d334c94c07edf7a647d90">randomGenePosition</a>·(int·from,·int·to)</td></tr>108 <tr·class="memitem:aa17a5330120d334c94c07edf7a647d90"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d17/a03750.html#aa17a5330120d334c94c07edf7a647d90">randomGenePosition</a>·(int·from,·int·to)</td></tr>
109 <tr·class="separator:aa17a5330120d334c94c07edf7a647d90"><td·class="memSeparator"·colspan="2">&#160;</td></tr>109 <tr·class="separator:aa17a5330120d334c94c07edf7a647d90"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
110 </table>110 </table>
111 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>111 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
112 <div·class="textblock"><p·>pure·virtual·base·class·</p>112 <div·class="textblock"><p·>pure·virtual·base·class·</p>
  
113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d60/a00491_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../d6/d60/a00491_source.html">genes.h</a>.</p>113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/daf/a01550_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../d8/daf/a01550_source.html">genes.h</a>.</p>
114 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>114 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
115 <a·id="ae6b0f8059c2dfba33957ba703f8cddb3"·name="ae6b0f8059c2dfba33957ba703f8cddb3"></a>115 <a·id="ae6b0f8059c2dfba33957ba703f8cddb3"·name="ae6b0f8059c2dfba33957ba703f8cddb3"></a>
116 <h2·class="memtitle"><span·class="permalink"><a·href="#ae6b0f8059c2dfba33957ba703f8cddb3">&#9670;&nbsp;</a></span>GenericGene()</h2>116 <h2·class="memtitle"><span·class="permalink"><a·href="#ae6b0f8059c2dfba33957ba703f8cddb3">&#9670;&nbsp;</a></span>GenericGene()</h2>
  
117 <div·class="memitem">117 <div·class="memitem">
118 <div·class="memproto">118 <div·class="memproto">
119 ······<table·class="memname">119 ······<table·class="memname">
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151 ··<td·class="mlabels-right">151 ··<td·class="mlabels-right">
152 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>152 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
153 ··</tr>153 ··</tr>
154 </table>154 </table>
155 </div><div·class="memdoc">155 </div><div·class="memdoc">
156 <p·>destructor·</p>156 <p·>destructor·</p>
  
157 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d60/a00491_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d6/d60/a00491_source.html">genes.h</a>.</p>157 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/daf/a01550_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d8/daf/a01550_source.html">genes.h</a>.</p>
  
158 </div>158 </div>
159 </div>159 </div>
160 <h2·class="groupheader">Member·Function·Documentation</h2>160 <h2·class="groupheader">Member·Function·Documentation</h2>
161 <a·id="a74057053e86291fbb1d0577dc58439e8"·name="a74057053e86291fbb1d0577dc58439e8"></a>161 <a·id="a74057053e86291fbb1d0577dc58439e8"·name="a74057053e86291fbb1d0577dc58439e8"></a>
162 <h2·class="memtitle"><span·class="permalink"><a·href="#a74057053e86291fbb1d0577dc58439e8">&#9670;&nbsp;</a></span>clone()</h2>162 <h2·class="memtitle"><span·class="permalink"><a·href="#a74057053e86291fbb1d0577dc58439e8">&#9670;&nbsp;</a></span>clone()</h2>
  
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d3/de5/a07315.html">List·of·all·members</a>··</div>70 <a·href="../../d3/de5/a07315.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::SESTriangulator·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::SESTriangulator·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d8/dc8/a00581_source.html">BALL/STRUCTURE/triangulatedSES.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d9/d63/a01877_source.html">BALL/STRUCTURE/triangulatedSES.h</a>&gt;</code></p>
75 <table·class="memberdecls">75 <table·class="memberdecls">
76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
77 Public·Member·Functions</h2></td></tr>77 Public·Member·Functions</h2></td></tr>
78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>
79 <tr·class="memitem:a8a3562ad575f83e6b3e0e0910d1e8b45"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d19/a07318.html#a8a3562ad575f83e6b3e0e0910d1e8b45">SESTriangulator</a>·()</td></tr>79 <tr·class="memitem:a8a3562ad575f83e6b3e0e0910d1e8b45"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d19/a07318.html#a8a3562ad575f83e6b3e0e0910d1e8b45">SESTriangulator</a>·()</td></tr>
80 <tr·class="separator:a8a3562ad575f83e6b3e0e0910d1e8b45"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a8a3562ad575f83e6b3e0e0910d1e8b45"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:aff248f03a47ba75dfe2fc7d6f569c9d5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d19/a07318.html#aff248f03a47ba75dfe2fc7d6f569c9d5">SESTriangulator</a>·(<a·class="el"·href="../../d2/de5/a07314.html">TriangulatedSES</a>·*tses)</td></tr>81 <tr·class="memitem:aff248f03a47ba75dfe2fc7d6f569c9d5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d19/a07318.html#aff248f03a47ba75dfe2fc7d6f569c9d5">SESTriangulator</a>·(<a·class="el"·href="../../d2/de5/a07314.html">TriangulatedSES</a>·*tses)</td></tr>
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98 <tr·class="memitem:a1076c0afc34c44cb411b0984f7b18dd4"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d19/a07318.html#a1076c0afc34c44cb411b0984f7b18dd4">run</a>·()</td></tr>98 <tr·class="memitem:a1076c0afc34c44cb411b0984f7b18dd4"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d19/a07318.html#a1076c0afc34c44cb411b0984f7b18dd4">run</a>·()</td></tr>
99 <tr·class="separator:a1076c0afc34c44cb411b0984f7b18dd4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:a1076c0afc34c44cb411b0984f7b18dd4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 </table>100 </table>
101 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>101 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
102 <div·class="textblock"><p·>Generic·<a·class="el"·href="../../d2/d19/a07318.html">SESTriangulator</a>·Class.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>102 <div·class="textblock"><p·>Generic·<a·class="el"·href="../../d2/d19/a07318.html">SESTriangulator</a>·Class.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
103 <dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>103 <dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>
  
104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dc8/a00581_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../d8/dc8/a00581_source.html">triangulatedSES.h</a>.</p>104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d63/a01877_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../d9/d63/a01877_source.html">triangulatedSES.h</a>.</p>
105 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>105 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
106 <a·id="a8a3562ad575f83e6b3e0e0910d1e8b45"·name="a8a3562ad575f83e6b3e0e0910d1e8b45"></a>106 <a·id="a8a3562ad575f83e6b3e0e0910d1e8b45"·name="a8a3562ad575f83e6b3e0e0910d1e8b45"></a>
107 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a3562ad575f83e6b3e0e0910d1e8b45">&#9670;&nbsp;</a></span>SESTriangulator()·<span·class="overload">[1/2]</span></h2>107 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a3562ad575f83e6b3e0e0910d1e8b45">&#9670;&nbsp;</a></span>SESTriangulator()·<span·class="overload">[1/2]</span></h2>
  
108 <div·class="memitem">108 <div·class="memitem">
109 <div·class="memproto">109 <div·class="memproto">
110 ······<table·class="memname">110 ······<table·class="memname">
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214 ··</td>214 ··</td>
215 ··<td·class="mlabels-right">215 ··<td·class="mlabels-right">
216 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>216 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
217 ··</tr>217 ··</tr>
218 </table>218 </table>
219 </div><div·class="memdoc">219 </div><div·class="memdoc">
  
220 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dc8/a00581_source.html#l00346">346</a>·of·file·<a·class="el"·href="../../d8/dc8/a00581_source.html">triangulatedSES.h</a>.</p>220 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d63/a01877_source.html#l00346">346</a>·of·file·<a·class="el"·href="../../d9/d63/a01877_source.html">triangulatedSES.h</a>.</p>
  
221 </div>221 </div>
222 </div>222 </div>
223 <a·id="a655546dcf0ab6870a5cfe129f885b1e0"·name="a655546dcf0ab6870a5cfe129f885b1e0"></a>223 <a·id="a655546dcf0ab6870a5cfe129f885b1e0"·name="a655546dcf0ab6870a5cfe129f885b1e0"></a>
224 <h2·class="memtitle"><span·class="permalink"><a·href="#a655546dcf0ab6870a5cfe129f885b1e0">&#9670;&nbsp;</a></span>point_</h2>224 <h2·class="memtitle"><span·class="permalink"><a·href="#a655546dcf0ab6870a5cfe129f885b1e0">&#9670;&nbsp;</a></span>point_</h2>
  
225 <div·class="memitem">225 <div·class="memitem">
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238 ··</td>238 ··</td>
239 ··<td·class="mlabels-right">239 ··<td·class="mlabels-right">
240 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>240 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
241 ··</tr>241 ··</tr>
242 </table>242 </table>
243 </div><div·class="memdoc">243 </div><div·class="memdoc">
  
244 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dc8/a00581_source.html#l00345">345</a>·of·file·<a·class="el"·href="../../d8/dc8/a00581_source.html">triangulatedSES.h</a>.</p>244 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d63/a01877_source.html#l00345">345</a>·of·file·<a·class="el"·href="../../d9/d63/a01877_source.html">triangulatedSES.h</a>.</p>
  
245 </div>245 </div>
246 </div>246 </div>
247 <a·id="a8e7cba28cf78c76e73e16be9abdae40d"·name="a8e7cba28cf78c76e73e16be9abdae40d"></a>247 <a·id="a8e7cba28cf78c76e73e16be9abdae40d"·name="a8e7cba28cf78c76e73e16be9abdae40d"></a>
248 <h2·class="memtitle"><span·class="permalink"><a·href="#a8e7cba28cf78c76e73e16be9abdae40d">&#9670;&nbsp;</a></span>sqrt_density_</h2>248 <h2·class="memtitle"><span·class="permalink"><a·href="#a8e7cba28cf78c76e73e16be9abdae40d">&#9670;&nbsp;</a></span>sqrt_density_</h2>
  
249 <div·class="memitem">249 <div·class="memitem">
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262 ··</td>262 ··</td>
263 ··<td·class="mlabels-right">263 ··<td·class="mlabels-right">
264 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>264 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
265 ··</tr>265 ··</tr>
266 </table>266 </table>
267 </div><div·class="memdoc">267 </div><div·class="memdoc">
  
268 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dc8/a00581_source.html#l00348">348</a>·of·file·<a·class="el"·href="../../d8/dc8/a00581_source.html">triangulatedSES.h</a>.</p>268 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d63/a01877_source.html#l00348">348</a>·of·file·<a·class="el"·href="../../d9/d63/a01877_source.html">triangulatedSES.h</a>.</p>
  
269 </div>269 </div>
270 </div>270 </div>
271 <a·id="aac91e74ad2eb3519845a0afa8be63ad2"·name="aac91e74ad2eb3519845a0afa8be63ad2"></a>271 <a·id="aac91e74ad2eb3519845a0afa8be63ad2"·name="aac91e74ad2eb3519845a0afa8be63ad2"></a>
272 <h2·class="memtitle"><span·class="permalink"><a·href="#aac91e74ad2eb3519845a0afa8be63ad2">&#9670;&nbsp;</a></span>template_spheres_</h2>272 <h2·class="memtitle"><span·class="permalink"><a·href="#aac91e74ad2eb3519845a0afa8be63ad2">&#9670;&nbsp;</a></span>template_spheres_</h2>
  
273 <div·class="memitem">273 <div·class="memitem">
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286 ··</td>286 ··</td>
287 ··<td·class="mlabels-right">287 ··<td·class="mlabels-right">
288 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>288 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
289 ··</tr>289 ··</tr>
290 </table>290 </table>
291 </div><div·class="memdoc">291 </div><div·class="memdoc">
  
292 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dc8/a00581_source.html#l00347">347</a>·of·file·<a·class="el"·href="../../d8/dc8/a00581_source.html">triangulatedSES.h</a>.</p>292 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d63/a01877_source.html#l00347">347</a>·of·file·<a·class="el"·href="../../d9/d63/a01877_source.html">triangulatedSES.h</a>.</p>
  
293 </div>293 </div>
294 </div>294 </div>
295 <a·id="a1c2073c5953f6bba357dca912c2ebfc7"·name="a1c2073c5953f6bba357dca912c2ebfc7"></a>295 <a·id="a1c2073c5953f6bba357dca912c2ebfc7"·name="a1c2073c5953f6bba357dca912c2ebfc7"></a>
296 <h2·class="memtitle"><span·class="permalink"><a·href="#a1c2073c5953f6bba357dca912c2ebfc7">&#9670;&nbsp;</a></span>tses_</h2>296 <h2·class="memtitle"><span·class="permalink"><a·href="#a1c2073c5953f6bba357dca912c2ebfc7">&#9670;&nbsp;</a></span>tses_</h2>
  
297 <div·class="memitem">297 <div·class="memitem">
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310 ··</td>310 ··</td>
311 ··<td·class="mlabels-right">311 ··<td·class="mlabels-right">
312 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>312 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
313 ··</tr>313 ··</tr>
314 </table>314 </table>
315 </div><div·class="memdoc">315 </div><div·class="memdoc">
  
316 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dc8/a00581_source.html#l00344">344</a>·of·file·<a·class="el"·href="../../d8/dc8/a00581_source.html">triangulatedSES.h</a>.</p>316 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d63/a01877_source.html#l00344">344</a>·of·file·<a·class="el"·href="../../d9/d63/a01877_source.html">triangulatedSES.h</a>.</p>
  
317 </div>317 </div>
318 </div>318 </div>
319 </div><!--·contents·-->319 </div><!--·contents·-->
320 <!--·start·footer·part·-->320 <!--·start·footer·part·-->
321 <hr·class="footer"/><address·class="footer"><small>321 <hr·class="footer"/><address·class="footer"><small>
322 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4322 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
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74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d92/a01796_source.html">BALL/STRUCTURE/graphEdge.h</a>&gt;</code><br·/>
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79 <p><a·href="../../d2/d21/a01484_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d2/d21/a01484_source.html">Go·to·the·source·code·of·this·file.</a></p>
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65 </div>65 </div>
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">forceModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">shortcutDialog.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d43/a01193_source.html">BALL/VIEW/MODELS/modelProcessor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d2/d49/a01067_source.html">BALL/VIEW/KERNEL/shortcutRegistry.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;BALL/VIEW/UIC/ui_shortcutDialog.h&gt;</code><br·/>
75 </div>78 </div>
76 <p><a·href="../../d2/d22/a01196_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d2/d22/a01196_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">80 <table·class="memberdecls">
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 65 </div>
62 </div><!--·top·-->66 </div><!--·top·-->
63 <div·class="header">67 <div·class="header">
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64 ··<div·class="headertitle"><div·class="title">qsar.doc·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">rescorer.h·File·Reference</div></div>
65 </div><!--header-->72 </div><!--header-->
66 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../da/dd6/a00896_source.html">BALL/FORMAT/commandlineParser.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../de/d0a/a02015_source.html">BALL/SCORING/FUNCTIONS/rescoring.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d9/df5/a01574_source.html">BALL/DOCKING/COMMON/structurePreparer.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 81 </div>
 82 <p><a·href="../../d2/d23/a01961_source.html">Go·to·the·source·code·of·this·file.</a></p>
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67 </div><!--·contents·-->94 </div><!--·contents·-->
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63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">editSingleShortcut.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">sphere.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/d7c/a01073_source.html">BALL/VIEW/KERNEL/shortcutRegistry.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a00293_source.html">BALL/MATHS/sphere3.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;BALL/VIEW/UIC/ui_editSingleShortcut.h&gt;</code><br·/> 
78 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/> 
79 </div>76 </div>
80 <p><a·href="../../d2/d29/a01376_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d2/d29/a01376_source.html">Go·to·the·source·code·of·this·file.</a></p>
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72 ··<div·class="headertitle"><div·class="title">BALL::IMGDock·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::IMGDock·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/dfb/a00512_source.html">BALL/DOCKING/IMGDOCK/IMGDock.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d82/a01601_source.html">BALL/DOCKING/IMGDOCK/IMGDock.h</a>&gt;</code></p>
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269 <tr·class="separator:a44d21b6e2bccdc2fab823b0ae90213a2·inherit·pro_attribs_a03646"><td·class="memSeparator"·colspan="2">&#160;</td></tr>269 <tr·class="separator:a44d21b6e2bccdc2fab823b0ae90213a2·inherit·pro_attribs_a03646"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
270 </table>270 </table>
271 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>271 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
272 <div·class="textblock"><p·>Iterative·Multi-Greedy·Docking·<br··/>272 <div·class="textblock"><p·>Iterative·Multi-Greedy·Docking·<br··/>
273 ·</p>273 ·</p>
  
274 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dfb/a00512_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d4/dfb/a00512_source.html">IMGDock.h</a>.</p>274 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d82/a01601_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d7/d82/a01601_source.html">IMGDock.h</a>.</p>
275 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>275 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
276 <a·id="ad1f285afa3e627feae1fed12c4fd35fe"·name="ad1f285afa3e627feae1fed12c4fd35fe"></a>276 <a·id="ad1f285afa3e627feae1fed12c4fd35fe"·name="ad1f285afa3e627feae1fed12c4fd35fe"></a>
277 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1f285afa3e627feae1fed12c4fd35fe">&#9670;&nbsp;</a></span>IMGDock()·<span·class="overload">[1/3]</span></h2>277 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1f285afa3e627feae1fed12c4fd35fe">&#9670;&nbsp;</a></span>IMGDock()·<span·class="overload">[1/3]</span></h2>
  
278 <div·class="memitem">278 <div·class="memitem">
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757 ··········<td·class="memname">int·BALL::IMGDock::rec</td>757 ··········<td·class="memname">int·BALL::IMGDock::rec</td>
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759 ······</table>759 ······</table>
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761 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dfb/a00512_source.html#l00127">127</a>·of·file·<a·class="el"·href="../../d4/dfb/a00512_source.html">IMGDock.h</a>.</p>761 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d82/a01601_source.html#l00127">127</a>·of·file·<a·class="el"·href="../../d7/d82/a01601_source.html">IMGDock.h</a>.</p>
  
762 </div>762 </div>
763 </div>763 </div>
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765 <!--·start·footer·part·-->765 <!--·start·footer·part·-->
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 64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li><li·class="navelem"><a·class="el"·href="../../dir_63800ef38c29322dc72b2a63f41a2424.html">RENDERERS</a></li>··</ul>
 65 </div>
62 </div><!--·top·-->66 </div><!--·top·-->
63 <div·class="header">67 <div·class="header">
 68 ··<div·class="summary">
 69 <a·href="#nested-classes">Classes</a>·&#124;
 70 <a·href="#namespaces">Namespaces</a>··</div>
64 ··<div·class="headertitle"><div·class="title">primitives.doc·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">raytracingRenderer.h·File·Reference</div></div>
65 </div><!--header-->72 </div><!--header-->
66 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d6f/a01445_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d2/d41/a01037_source.html">BALL/VIEW/KERNEL/stage.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d0/de2/a01442_source.html">BALL/VIEW/RENDERING/RENDERERS/bufferedRenderer.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;vector&gt;</code><br·/>
 78 </div>
 79 <p><a·href="../../d2/d2f/a01460_source.html">Go·to·the·source·code·of·this·file.</a></p>
 80 <table·class="memberdecls">
 81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
 82 Classes</h2></td></tr>
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 84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 85 </table><table·class="memberdecls">
 86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
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 90 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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67 </div><!--·contents·-->93 </div><!--·contents·-->
68 <!--·start·footer·part·-->94 <!--·start·footer·part·-->
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70 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.496 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#func-members">Functions</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">timeStamp.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">conformationSet.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;BALL/CONFIG/config.h&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../db/daf/a01019_source.html">BALL/COMMON/create.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../db/db6/a00074_source.html">BALL/MOLMEC/COMMON/snapShot.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d1/dd8/a01022_source.html">BALL/COMMON/debug.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d0/d3c/a00971_source.html">BALL/FORMAT/DCDFile.h</a>&gt;</code><br·/>
78 <code>#include·&lt;<a·class="el"·href="../../d4/d49/a01643_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/>78 <code>#include·&lt;vector&gt;</code><br·/>
79 <code>#include·&lt;iostream&gt;</code><br·/>79 <code>#include·&lt;set&gt;</code><br·/>
80 <code>#include·&lt;BALL/CONCEPT/timeStamp.iC&gt;</code><br·/> 
81 </div>80 </div>
82 <p><a·href="../../d2/d2f/a01586_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../d2/d2f/a01586_source.html">Go·to·the·source·code·of·this·file.</a></p>
83 <table·class="memberdecls">82 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
85 Classes</h2></td></tr>84 Classes</h2></td></tr>
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d6f/a03374.html">BALL::PreciseTime</a></td></tr> 
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dbb/a03378.html">BALL::TimeStamp</a></td></tr>85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d81/a03630.html">BALL::ConformationSet</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls">87 </table><table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
92 Namespaces</h2></td></tr>89 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table><table·class="memberdecls"> 
96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
97 Functions</h2></td></tr> 
98 <tr·class="memitem:a2a0e1ece7f67bf8b86c9f1a0ca181bb3"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a2a0e1ece7f67bf8b86c9f1a0ca181bb3">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;os,·const·PreciseTime·&amp;time)</td></tr> 
99 <tr·class="separator:a2a0e1ece7f67bf8b86c9f1a0ca181bb3"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
100 <tr·class="memitem:a40f3d0c6777e34237c35600cbdeb6330"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a40f3d0c6777e34237c35600cbdeb6330">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;os,·const·TimeStamp·&amp;stamp)</td></tr> 
101 <tr·class="separator:a40f3d0c6777e34237c35600cbdeb6330"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 </table>92 </table>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">piecewisePolynomial.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">radialDistributionFunction.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/dfc/a01814_source.html">BALL/MATHS/piecewiseFunction.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d35/a00266_source.html">BALL/MATHS/piecewisePolynomial.h</a>&gt;</code><br·/>
75 </div>75 </div>
76 <p><a·href="../../d2/d31/a01811_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d2/d31/a01811_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>79 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dd0/a04882.html">BALL::PiecewisePolynomial</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a07026.html">BALL::RadialDistributionFunction</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
84 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#typedef-members">Typedefs</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">QSARData.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">PB.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>
75 <div·class="textblock"><code>#include·&lt;iostream&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../dc/dee/a00053_source.html">BALL/FORMAT/SDFile.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d6/d2d/a00047_source.html">BALL/FORMAT/PDBFile.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../d4/d3e/a00116_source.html">BALL/FORMAT/HINFile.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d0/dce/a01946_source.html">BALL/SOLVATION/poissonBoltzmann.h</a>&gt;</code><br·/>
80 <code>#include·&lt;<a·class="el"·href="../../d4/dee/a00008_source.html">BALL/FORMAT/MOLFile.h</a>&gt;</code><br·/> 
81 <code>#include·&lt;vector&gt;</code><br·/> 
82 <code>#include·&lt;list&gt;</code><br·/> 
83 <code>#include·&lt;set&gt;</code><br·/> 
84 <code>#include·&lt;map&gt;</code><br·/> 
85 <code>#include·&lt;cmath&gt;</code><br·/> 
86 <code>#include·&lt;sstream&gt;</code><br·/> 
87 <code>#include·&lt;fstream&gt;</code><br·/> 
88 <code>#include·&lt;limits&gt;</code><br·/> 
89 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/QSAR/simpleDescriptors.h</a>&gt;</code><br·/> 
90 <code>#include·&lt;<a·class="el"·href="../../d4/d93/a01955_source.html">BALL/QSAR/connectivityDescriptors.h</a>&gt;</code><br·/> 
91 <code>#include·&lt;<a·class="el"·href="../../d2/d3d/a01982_source.html">BALL/QSAR/partialChargeDescriptors.h</a>&gt;</code><br·/> 
92 <code>#include·&lt;<a·class="el"·href="../../d1/dc4/a02042_source.html">BALL/QSAR/surfaceDescriptors.h</a>&gt;</code><br·/> 
93 <code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/> 
94 <code>#include·&lt;cstring&gt;</code><br·/> 
95 <code>#include·&lt;<a·class="el"·href="../../d5/d8b/a02060_source.html">BALL/QSAR/statistics.h</a>&gt;</code><br·/> 
96 <code>#include·&lt;<a·class="el"·href="../../db/d51/a20335_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/> 
97 <code>#include·&lt;<a·class="el"·href="../../d2/d2f/a01586_source.html">BALL/CONCEPT/timeStamp.h</a>&gt;</code><br·/> 
98 </div>76 </div>
99 <p><a·href="../../d2/d31/a02087_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d2/d31/a02087_source.html">Go·to·the·source·code·of·this·file.</a></p>
100 <table·class="memberdecls">78 <table·class="memberdecls">
101 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
102 Classes</h2></td></tr>80 Classes</h2></td></tr>
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104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 </table><table·class="memberdecls">83 </table><table·class="memberdecls">
106 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
107 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
108 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
109 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
110 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
111 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
112 </table><table·class="memberdecls"> 
113 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
114 Typedefs</h2></td></tr> 
115 <tr·class="memitem:af4cd383c264631e8ec7d96bdeaa34876"><td·class="memItemLeft"·align="right"·valign="top">typedef·vector&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html#af4cd383c264631e8ec7d96bdeaa34876">BALL::QSAR::Column</a></td></tr> 
116 <tr·class="separator:af4cd383c264631e8ec7d96bdeaa34876"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
117 <tr·class="memitem:af3b14f03329ae146c29233e21c23c08f"><td·class="memItemLeft"·align="right"·valign="top">typedef·vector&lt;·Column·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html#af3b14f03329ae146c29233e21c23c08f">BALL::QSAR::VMatrix</a></td></tr> 
118 <tr·class="separator:af3b14f03329ae146c29233e21c23c08f"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
119 </table>88 </table>
120 </div><!--·contents·-->89 </div><!--·contents·-->
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122 <hr·class="footer"/><address·class="footer"><small>91 <hr·class="footer"/><address·class="footer"><small>
123 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.492 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
75 <a·href="../../dc/d19/a07487.html">List·of·all·members</a>··</div>75 <a·href="../../dc/d19/a07487.html">List·of·all·members</a>··</div>
76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RegularData3DController·Class·Reference</div></div>76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RegularData3DController·Class·Reference</div></div>
77 </div><!--header-->77 </div><!--header-->
78 <div·class="contents">78 <div·class="contents">
  
79 <p><code>#include·&lt;<a·class="el"·href="../../dc/d47/a01487_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code></p>79 <p><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code></p>
80 <div·class="dynheader">80 <div·class="dynheader">
81 Inheritance·diagram·for·BALL::VIEW::RegularData3DController:</div>81 Inheritance·diagram·for·BALL::VIEW::RegularData3DController:</div>
82 <div·class="dyncontent">82 <div·class="dyncontent">
83 ·<div·class="center">83 ·<div·class="center">
84 ··<img·src="../../d2/d32/a07490.png"·usemap="#BALL::VIEW::RegularData3DController_map"·alt=""/>84 ··<img·src="../../d2/d32/a07490.png"·usemap="#BALL::VIEW::RegularData3DController_map"·alt=""/>
85 ··<map·id="BALL::VIEW::RegularData3DController_map"·name="BALL::VIEW::RegularData3DController_map">85 ··<map·id="BALL::VIEW::RegularData3DController_map"·name="BALL::VIEW::RegularData3DController_map">
86 <area·href="../../de/dbd/a07482.html"·alt="BALL::VIEW::DatasetController"·shape="rect"·coords="119,56,347,80"/>86 <area·href="../../de/dbd/a07482.html"·alt="BALL::VIEW::DatasetController"·shape="rect"·coords="119,56,347,80"/>
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277 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>277 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>
278 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>278 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
279 </table>279 </table>
280 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>280 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
281 <div·class="textblock"><p·>Controller·base·class·for·one·type·of·<a·class="el"·href="../../dd/d74/a07478.html">Dataset</a>·</p>281 <div·class="textblock"><p·>Controller·base·class·for·one·type·of·<a·class="el"·href="../../dd/d74/a07478.html">Dataset</a>·</p>
  
282 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d47/a01487_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../dc/d47/a01487_source.html">standardDatasets.h</a>.</p>282 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
283 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>283 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
284 <a·id="a85053af1f8e421c5257f2e249301be31"·name="a85053af1f8e421c5257f2e249301be31"></a>284 <a·id="a85053af1f8e421c5257f2e249301be31"·name="a85053af1f8e421c5257f2e249301be31"></a>
285 <h2·class="memtitle"><span·class="permalink"><a·href="#a85053af1f8e421c5257f2e249301be31">&#9670;&nbsp;</a></span>RegularData3DController()·<span·class="overload">[1/2]</span></h2>285 <h2·class="memtitle"><span·class="permalink"><a·href="#a85053af1f8e421c5257f2e249301be31">&#9670;&nbsp;</a></span>RegularData3DController()·<span·class="overload">[1/2]</span></h2>
  
286 <div·class="memitem">286 <div·class="memitem">
287 <div·class="memproto">287 <div·class="memproto">
288 ······<table·class="memname">288 ······<table·class="memname">
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856 ··</td>856 ··</td>
857 ··<td·class="mlabels-right">857 ··<td·class="mlabels-right">
858 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>858 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
859 ··</tr>859 ··</tr>
860 </table>860 </table>
861 </div><div·class="memdoc">861 </div><div·class="memdoc">
  
862 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d47/a01487_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../dc/d47/a01487_source.html">standardDatasets.h</a>.</p>862 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
  
863 </div>863 </div>
864 </div>864 </div>
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880 ··</td>880 ··</td>
881 ··<td·class="mlabels-right">881 ··<td·class="mlabels-right">
882 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>882 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
883 ··</tr>883 ··</tr>
884 </table>884 </table>
885 </div><div·class="memdoc">885 </div><div·class="memdoc">
  
886 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d47/a01487_source.html#l00138">138</a>·of·file·<a·class="el"·href="../../dc/d47/a01487_source.html">standardDatasets.h</a>.</p>886 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00138">138</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
  
887 </div>887 </div>
888 </div>888 </div>
889 <a·id="a4601a1e8cc85cdd26356fb20a40d388c"·name="a4601a1e8cc85cdd26356fb20a40d388c"></a>889 <a·id="a4601a1e8cc85cdd26356fb20a40d388c"·name="a4601a1e8cc85cdd26356fb20a40d388c"></a>
890 <h2·class="memtitle"><span·class="permalink"><a·href="#a4601a1e8cc85cdd26356fb20a40d388c">&#9670;&nbsp;</a></span>type</h2>890 <h2·class="memtitle"><span·class="permalink"><a·href="#a4601a1e8cc85cdd26356fb20a40d388c">&#9670;&nbsp;</a></span>type</h2>
  
891 <div·class="memitem">891 <div·class="memitem">
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906 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>906 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
907 ··</tr>907 ··</tr>
908 </table>908 </table>
909 </div><div·class="memdoc">909 </div><div·class="memdoc">
  
910 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d47/a01487_source.html#l00108">108</a>·of·file·<a·class="el"·href="../../dc/d47/a01487_source.html">standardDatasets.h</a>.</p>910 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00108">108</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
  
911 </div>911 </div>
912 </div>912 </div>
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914 <!--·start·footer·part·-->914 <!--·start·footer·part·-->
915 <hr·class="footer"/><address·class="footer"><small>915 <hr·class="footer"/><address·class="footer"><small>
916 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4916 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../d1/d2f/a03767.html">List·of·all·members</a>··</div>72 <a·href="../../d1/d2f/a03767.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::GenericParameter·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::GenericParameter·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/ddf/a00488_source.html">BALL/DOCKING/GENETICDOCK/parameter.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d7/def/a01538_source.html">BALL/DOCKING/GENETICDOCK/parameter.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::GenericParameter:</div>78 Inheritance·diagram·for·BALL::GenericParameter:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d2/d33/a03770.png"·usemap="#BALL::GenericParameter_map"·alt=""/>81 ··<img·src="../../d2/d33/a03770.png"·usemap="#BALL::GenericParameter_map"·alt=""/>
82 ··<map·id="BALL::GenericParameter_map"·name="BALL::GenericParameter_map">82 ··<map·id="BALL::GenericParameter_map"·name="BALL::GenericParameter_map">
83 <area·href="../../d7/d82/a03774.html"·alt="BALL::DoubleParameter"·shape="rect"·coords="0,56,170,80"/>83 <area·href="../../d7/d82/a03774.html"·alt="BALL::DoubleParameter"·shape="rect"·coords="0,56,170,80"/>
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102 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pro-attribs"·name="pro-attribs"></a>102 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pro-attribs"·name="pro-attribs"></a>
103 Protected·Attributes</h2></td></tr>103 Protected·Attributes</h2></td></tr>
104 <tr·class="memitem:a6723a926ebe945181678106eedb24317"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d33/a03770.html#a6723a926ebe945181678106eedb24317">name_</a></td></tr>104 <tr·class="memitem:a6723a926ebe945181678106eedb24317"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d33/a03770.html#a6723a926ebe945181678106eedb24317">name_</a></td></tr>
105 <tr·class="separator:a6723a926ebe945181678106eedb24317"><td·class="memSeparator"·colspan="2">&#160;</td></tr>105 <tr·class="separator:a6723a926ebe945181678106eedb24317"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
106 </table>106 </table>
107 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>107 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
108 <div·class="textblock">108 <div·class="textblock">
109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/ddf/a00488_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d4/ddf/a00488_source.html">parameter.h</a>.</p>109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">parameter.h</a>.</p>
110 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>110 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
111 <a·id="a6a82679299fda3000b16e4ff2f0c41e8"·name="a6a82679299fda3000b16e4ff2f0c41e8"></a>111 <a·id="a6a82679299fda3000b16e4ff2f0c41e8"·name="a6a82679299fda3000b16e4ff2f0c41e8"></a>
112 <h2·class="memtitle"><span·class="permalink"><a·href="#a6a82679299fda3000b16e4ff2f0c41e8">&#9670;&nbsp;</a></span>GenericParameter()·<span·class="overload">[1/2]</span></h2>112 <h2·class="memtitle"><span·class="permalink"><a·href="#a6a82679299fda3000b16e4ff2f0c41e8">&#9670;&nbsp;</a></span>GenericParameter()·<span·class="overload">[1/2]</span></h2>
  
113 <div·class="memitem">113 <div·class="memitem">
114 <div·class="memproto">114 <div·class="memproto">
115 ······<table·class="memname">115 ······<table·class="memname">
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235 ··<td·class="mlabels-right">235 ··<td·class="mlabels-right">
236 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>236 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
237 ··</tr>237 ··</tr>
238 </table>238 </table>
239 </div><div·class="memdoc">239 </div><div·class="memdoc">
240 <p·>parameter·name·</p>240 <p·>parameter·name·</p>
  
241 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/ddf/a00488_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d4/ddf/a00488_source.html">parameter.h</a>.</p>241 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">parameter.h</a>.</p>
  
242 </div>242 </div>
243 </div>243 </div>
244 </div><!--·contents·-->244 </div><!--·contents·-->
245 <!--·start·footer·part·-->245 <!--·start·footer·part·-->
246 <hr·class="footer"/><address·class="footer"><small>246 <hr·class="footer"/><address·class="footer"><small>
247 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4247 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../da/d47/a04651.html">List·of·all·members</a>··</div>71 <a·href="../../da/d47/a04651.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::AtomNamePredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::AtomNamePredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::AtomNamePredicate:</div>77 Inheritance·diagram·for·BALL::AtomNamePredicate:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d2/d33/a04654.png"·usemap="#BALL::AtomNamePredicate_map"·alt=""/>80 ··<img·src="../../d2/d33/a04654.png"·usemap="#BALL::AtomNamePredicate_map"·alt=""/>
81 ··<map·id="BALL::AtomNamePredicate_map"·name="BALL::AtomNamePredicate_map">81 ··<map·id="BALL::AtomNamePredicate_map"·name="BALL::AtomNamePredicate_map">
82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Predicate·for·matching·atom·names.·Returns·<code>true</code>,·if·the·name·of·the·atom·matches·the·argument·of·this·predicate.·This·is·an·exact·match.·</p>122 <div·class="textblock"><p·>Predicate·for·matching·atom·names.·Returns·<code>true</code>,·if·the·name·of·the·atom·matches·the·argument·of·this·predicate.·This·is·an·exact·match.·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00105">105</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00105">105</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
125 <a·id="aaee920d9c7bcb39e682db3b47145a1e2"·name="aaee920d9c7bcb39e682db3b47145a1e2"></a>125 <a·id="aaee920d9c7bcb39e682db3b47145a1e2"·name="aaee920d9c7bcb39e682db3b47145a1e2"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#aaee920d9c7bcb39e682db3b47145a1e2">&#9670;&nbsp;</a></span>operator()()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#aaee920d9c7bcb39e682db3b47145a1e2">&#9670;&nbsp;</a></span>operator()()</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
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71 <a·href="#pro-slots">Protected·Slots</a>·&#124;71 <a·href="#pro-slots">Protected·Slots</a>·&#124;
72 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;72 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
73 <a·href="../../de/d11/a07687.html">List·of·all·members</a>··</div>73 <a·href="../../de/d11/a07687.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PluginDialog·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PluginDialog·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d9/dda/a01289_source.html">BALL/VIEW/DIALOGS/pluginDialog.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../dc/d70/a01187_source.html">BALL/VIEW/DIALOGS/pluginDialog.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::VIEW::PluginDialog:</div>79 Inheritance·diagram·for·BALL::VIEW::PluginDialog:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d2/d33/a07690.png"·usemap="#BALL::VIEW::PluginDialog_map"·alt=""/>82 ··<img·src="../../d2/d33/a07690.png"·usemap="#BALL::VIEW::PluginDialog_map"·alt=""/>
83 ··<map·id="BALL::VIEW::PluginDialog_map"·name="BALL::VIEW::PluginDialog_map">83 ··<map·id="BALL::VIEW::PluginDialog_map"·name="BALL::VIEW::PluginDialog_map">
84 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,56,187,80"/>84 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,56,187,80"/>
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372 <tr·class="memitem:ad2f1fe3a241b5069c4a60b4429e71ec2·inherit·pro_attribs_a05550"><td·class="memItemLeft"·align="right"·valign="top">std::list&lt;·<a·class="el"·href="../../d1/d22/a05546.html">BALLPlugin</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d41/a05550.html#ad2f1fe3a241b5069c4a60b4429e71ec2">running_plugins_</a></td></tr>372 <tr·class="memitem:ad2f1fe3a241b5069c4a60b4429e71ec2·inherit·pro_attribs_a05550"><td·class="memItemLeft"·align="right"·valign="top">std::list&lt;·<a·class="el"·href="../../d1/d22/a05546.html">BALLPlugin</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d41/a05550.html#ad2f1fe3a241b5069c4a60b4429e71ec2">running_plugins_</a></td></tr>
373 <tr·class="separator:ad2f1fe3a241b5069c4a60b4429e71ec2·inherit·pro_attribs_a05550"><td·class="memSeparator"·colspan="2">&#160;</td></tr>373 <tr·class="separator:ad2f1fe3a241b5069c4a60b4429e71ec2·inherit·pro_attribs_a05550"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
374 </table>374 </table>
375 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>375 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
376 <div·class="textblock"><p·>Dialog·for·handling·the·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·plugins</p>376 <div·class="textblock"><p·>Dialog·for·handling·the·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·plugins</p>
377 <p·>This·dialog·shows·all·available·plugins·in·a·QListView.·The·user·can·opt·to·activate·or·deactivate·any·plugin·and·manipulate·the·plugin·search·path.·Also·this·dialog·acts·as·a·plugin·handler·for·VIEWPlugins.·It·is·responsible·for·registering·the·<a·class="el"·href="../../d6/d80/a08150.html">ConfigDialog</a>·of·a·<a·class="el"·href="../../d4/dd5/a08154.html">VIEWPlugin</a>·with·the·preferences·system.·</p>377 <p·>This·dialog·shows·all·available·plugins·in·a·QListView.·The·user·can·opt·to·activate·or·deactivate·any·plugin·and·manipulate·the·plugin·search·path.·Also·this·dialog·acts·as·a·plugin·handler·for·VIEWPlugins.·It·is·responsible·for·registering·the·<a·class="el"·href="../../d6/d80/a08150.html">ConfigDialog</a>·of·a·<a·class="el"·href="../../d4/dd5/a08154.html">VIEWPlugin</a>·with·the·preferences·system.·</p>
  
378 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dda/a01289_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../d9/dda/a01289_source.html">pluginDialog.h</a>.</p>378 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d70/a01187_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../dc/d70/a01187_source.html">pluginDialog.h</a>.</p>
379 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>379 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
380 <a·id="a51bf7ed05cd00aa729ffa5908dede745"·name="a51bf7ed05cd00aa729ffa5908dede745"></a>380 <a·id="a51bf7ed05cd00aa729ffa5908dede745"·name="a51bf7ed05cd00aa729ffa5908dede745"></a>
381 <h2·class="memtitle"><span·class="permalink"><a·href="#a51bf7ed05cd00aa729ffa5908dede745">&#9670;&nbsp;</a></span>PluginDialog()</h2>381 <h2·class="memtitle"><span·class="permalink"><a·href="#a51bf7ed05cd00aa729ffa5908dede745">&#9670;&nbsp;</a></span>PluginDialog()</h2>
  
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61 </div>61 </div>
  
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 64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
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 70 <a·href="#namespaces">Namespaces</a>··</div>
64 ··<div·class="headertitle"><div·class="title">plugin.doc·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">sideChainPlacementProcessor.h·File·Reference</div></div>
65 </div><!--header-->72 </div><!--header-->
66 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 77 </div>
 78 <p><a·href="../../d2/d34/a01679_source.html">Go·to·the·source·code·of·this·file.</a></p>
 79 <table·class="memberdecls">
 80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
 81 Classes</h2></td></tr>
 82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d41/a07174.html">BALL::SideChainPlacementProcessor</a></td></tr>
 83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/ddc/a07178.html">BALL::SideChainPlacementProcessor::Option</a></td></tr>
 85 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d9/ddc/a07178.html"·title="Option·names.">Option</a>·names.··<a·href="../../d9/ddc/a07178.html#details">More...</a><br·/></td></tr>
 86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/ded/a07182.html">BALL::SideChainPlacementProcessor::Default</a></td></tr>
 88 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d6/ded/a07182.html"·title="Default·values·for·options.">Default</a>·values·for·options.··<a·href="../../d6/ded/a07182.html#details">More...</a><br·/></td></tr>
 89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d2e/a07186.html">BALL::SideChainPlacementProcessor::Method</a></td></tr>
 91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 92 </table><table·class="memberdecls">
 93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
 94 Namespaces</h2></td></tr>
 95 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
 96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 </table>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_a7dfdbc559f1e3def0943b68d93d2e00.html">COMMON</a></li>··</ul>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">partialChargeDescriptors.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">linearBaseFunction.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d51/a02000_source.html">BALL/QSAR/partialChargeBase.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d90/a01964_source.html">BALL/SCORING/COMMON/baseFunction.h</a>&gt;</code><br·/>
75 </div>75 </div>
76 <p><a·href="../../d2/d3d/a01982_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d2/d3d/a01982_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>79 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/db7/a05798.html">BALL::TotalPositivePartialCharge</a></td></tr> 
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd9/a05802.html">BALL::TotalNegativePartialCharge</a></td></tr> 
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d3e/a05806.html">BALL::RelPositivePartialCharge</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d30/a06150.html">BALL::LinearBaseFunction</a></td></tr>
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d5c/a05810.html">BALL::RelNegativePartialCharge</a></td></tr> 
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
90 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../db/d58/a05143.html">List·of·all·members</a>··</div>71 <a·href="../../db/d58/a05143.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::MicroCanonicalMD·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d6e/a02174.html">Molecular·Dynamics·Simulation</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::MicroCanonicalMD·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d6e/a02174.html">Molecular·Dynamics·Simulation</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../df/d39/a00950_source.html">BALL/MOLMEC/MDSIMULATION/microCanonicalMD.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d25/a00182_source.html">BALL/MOLMEC/MDSIMULATION/microCanonicalMD.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::MicroCanonicalMD:</div>77 Inheritance·diagram·for·BALL::MicroCanonicalMD:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d2/d3d/a05146.png"·usemap="#BALL::MicroCanonicalMD_map"·alt=""/>80 ··<img·src="../../d2/d3d/a05146.png"·usemap="#BALL::MicroCanonicalMD_map"·alt=""/>
81 ··<map·id="BALL::MicroCanonicalMD_map"·name="BALL::MicroCanonicalMD_map">81 ··<map·id="BALL::MicroCanonicalMD_map"·name="BALL::MicroCanonicalMD_map">
82 <area·href="../../d9/dcb/a05154.html"·alt="BALL::MolecularDynamics"·shape="rect"·coords="0,0,161,24"/>82 <area·href="../../d9/dcb/a05154.html"·alt="BALL::MolecularDynamics"·shape="rect"·coords="0,0,161,24"/>
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238 <tr·class="memitem:a1d96c5915e79a90db365a85aab05fc47·inherit·pro_attribs_a05154"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dcb/a05154.html#a1d96c5915e79a90db365a85aab05fc47">abort_energy_</a></td></tr>238 <tr·class="memitem:a1d96c5915e79a90db365a85aab05fc47·inherit·pro_attribs_a05154"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dcb/a05154.html#a1d96c5915e79a90db365a85aab05fc47">abort_energy_</a></td></tr>
239 <tr·class="separator:a1d96c5915e79a90db365a85aab05fc47·inherit·pro_attribs_a05154"><td·class="memSeparator"·colspan="2">&#160;</td></tr>239 <tr·class="separator:a1d96c5915e79a90db365a85aab05fc47·inherit·pro_attribs_a05154"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
240 </table>240 </table>
241 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>241 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
242 <div·class="textblock"><p·>Microcanonical·MD:·A·class·for·doing·molecular·dynamics·simulations·<br··/>242 <div·class="textblock"><p·>Microcanonical·MD:·A·class·for·doing·molecular·dynamics·simulations·<br··/>
243 ·according·to·the·principle·of·a·microcanonical·ensemble·(NVE),·i.e.,·the·total·energy·of·the·system·is·kept·constant.·Numerical·integration·for·new·atom·positions·is·done·via·the·Velocity·Verlet·method.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>243 ·according·to·the·principle·of·a·microcanonical·ensemble·(NVE),·i.e.,·the·total·energy·of·the·system·is·kept·constant.·Numerical·integration·for·new·atom·positions·is·done·via·the·Velocity·Verlet·method.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
244 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d39/a00950_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../df/d39/a00950_source.html">microCanonicalMD.h</a>.</p>244 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d25/a00182_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d7/d25/a00182_source.html">microCanonicalMD.h</a>.</p>
245 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>245 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
246 <a·id="afcb53655b02ca7134cfe381c4b9ae569"·name="afcb53655b02ca7134cfe381c4b9ae569"></a>246 <a·id="afcb53655b02ca7134cfe381c4b9ae569"·name="afcb53655b02ca7134cfe381c4b9ae569"></a>
247 <h2·class="memtitle"><span·class="permalink"><a·href="#afcb53655b02ca7134cfe381c4b9ae569">&#9670;&nbsp;</a></span>MicroCanonicalMD()·<span·class="overload">[1/5]</span></h2>247 <h2·class="memtitle"><span·class="permalink"><a·href="#afcb53655b02ca7134cfe381c4b9ae569">&#9670;&nbsp;</a></span>MicroCanonicalMD()·<span·class="overload">[1/5]</span></h2>
  
248 <div·class="memitem">248 <div·class="memitem">
249 <div·class="memproto">249 <div·class="memproto">
250 ······<table·class="memname">250 ······<table·class="memname">
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635 ··</td>635 ··</td>
636 ··<td·class="mlabels-right">636 ··<td·class="mlabels-right">
637 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>637 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
638 ··</tr>638 ··</tr>
639 </table>639 </table>
640 </div><div·class="memdoc">640 </div><div·class="memdoc">
  
641 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d39/a00950_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../df/d39/a00950_source.html">microCanonicalMD.h</a>.</p>641 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d25/a00182_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../d7/d25/a00182_source.html">microCanonicalMD.h</a>.</p>
  
642 </div>642 </div>
643 </div>643 </div>
644 </div><!--·contents·-->644 </div><!--·contents·-->
645 <!--·start·footer·part·-->645 <!--·start·footer·part·-->
646 <hr·class="footer"/><address·class="footer"><small>646 <hr·class="footer"/><address·class="footer"><small>
647 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4647 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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8 <title>BALL:·raytraceableGrid.h·File·Reference</title>8 <title>BALL:·ballAndStickModel.h·File·Reference</title>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_3df5a5ad7754ea960e604448eda1468f.html">DATATYPE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_0f44562fa0092558829ef2f34049a706.html">MODELS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">raytraceableGrid.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">ballAndStickModel.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d29/a01895_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d51/a01520_source.html">BALL/VIEW/MODELS/atomBondModelBaseProcessor.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;BALL/VIEW/MODELS/ballAndStickModel.iC&gt;</code><br·/>
75 </div>77 </div>
76 <p><a·href="../../d2/d41/a01493_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d2/d41/a01493_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">79 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>81 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd9/a07486.html">BALL::VIEW::RaytraceableGrid</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7a/a08030.html">BALL::VIEW::AddBallAndStickModel</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">84 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
84 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>89 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../df/d5c/a06127.html">List·of·all·members</a>··</div>71 <a·href="../../df/d5c/a06127.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::FermiBaseFunction·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::FermiBaseFunction·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/SCORING/COMMON/fermiBaseFunction.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/da1/a01988_source.html">BALL/SCORING/COMMON/fermiBaseFunction.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::FermiBaseFunction:</div>77 Inheritance·diagram·for·BALL::FermiBaseFunction:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d2/d44/a06130.png"·usemap="#BALL::FermiBaseFunction_map"·alt=""/>80 ··<img·src="../../d2/d44/a06130.png"·usemap="#BALL::FermiBaseFunction_map"·alt=""/>
81 ··<map·id="BALL::FermiBaseFunction_map"·name="BALL::FermiBaseFunction_map">81 ··<map·id="BALL::FermiBaseFunction_map"·name="BALL::FermiBaseFunction_map">
82 <area·href="../../df/d58/a06118.html"·alt="BALL::ScoringBaseFunction"·shape="rect"·coords="0,0,170,24"/>82 <area·href="../../df/d58/a06118.html"·alt="BALL::ScoringBaseFunction"·shape="rect"·coords="0,0,170,24"/>
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130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p·>Sigmoidal·base·function·</p>131 <div·class="textblock"><p·>Sigmoidal·base·function·</p>
  
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73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d27/a01043_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d6f/a01445_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>
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77 <p><a·href="../../d2/d48/a01472_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d2/d48/a01472_source.html">Go·to·the·source·code·of·this·file.</a></p>
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79 <p><a·href="../../d2/d49/a01067_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../d2/d49/a01067_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">82 <table·class="memberdecls">
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73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
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77 <code>#include·&lt;<a·class="el"·href="../../d9/d24/a00524_source.html">BALL/DOCKING/COMMON/dockingAlgorithm.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;QtCore/QTimer&gt;</code><br·/> 
79 <code>#include·&lt;QtCore/QDateTime&gt;</code><br·/> 
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82 <p><a·href="../../d2/d4c/a01307_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d2/d4c/a01307_source.html">Go·to·the·source·code·of·this·file.</a></p>
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66 </div><!--·top·-->66 </div><!--·top·-->
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75 <code>#include·&lt;<a·class="el"·href="../../d0/d36/a01916_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d2/df3/a01085_source.html">BALL/VIEW/KERNEL/connectionObject.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../da/d17/a01046_source.html">BALL/VIEW/KERNEL/representationManager.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d1/dfa/a01097_source.html">BALL/VIEW/KERNEL/compositeManager.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../d9/d7c/a01073_source.html">BALL/VIEW/KERNEL/shortcutRegistry.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;<a·class="el"·href="../../d2/d49/a01067_source.html">BALL/VIEW/KERNEL/UIOperationMode.h</a>&gt;</code><br·/> 
81 <code>#include·&lt;<a·class="el"·href="../../d3/d52/a00023_source.html">BALL/FORMAT/INIFile.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../db/dbe/a01706_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/STRUCTURE/fragmentDB.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;QtGui/QKeySequence&gt;</code><br·/> 
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87 <code>#include·&lt;QtWidgets/QMenuBar&gt;</code><br·/> 
88 <code>#include·&lt;QtWidgets/QLabel&gt;</code><br·/> 
89 <code>#include·&lt;QtCore/QTimer&gt;</code><br·/> 
90 <code>#include·&lt;BALL/VIEW/KERNEL/mainControl.iC&gt;</code><br·/> 
91 </div>75 </div>
92 <p><a·href="../../d2/d4d/a01079_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d2/d4d/a01079_source.html">Go·to·the·source·code·of·this·file.</a></p>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
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65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
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71 ··<div·class="headertitle"><div·class="title">regressionModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">advElectrostatic.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d94/a02033_source.html">BALL/QSAR/Model.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d95/a02075_source.html">BALL/SCORING/COMPONENTS/electrostatic.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d7/dbe/a02024_source.html">BALL/QSAR/regressionValidation.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;fstream&gt;</code><br·/> 
77 </div>75 </div>
78 <p><a·href="../../d2/d50/a02081_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d2/d50/a02081_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">77 <table·class="memberdecls">
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89 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
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71 <a·href="../../d4/db4/a08575.html">List·of·all·members</a>··</div>71 <a·href="../../d4/db4/a08575.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::CrystalGenerator::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::CrystalGenerator::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d26/a01700_source.html">BALL/XRAY/crystalGenerator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dc/df1/a00662_source.html">BALL/XRAY/crystalGenerator.h</a>&gt;</code></p>
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79 <tr·class="memitem:a45e4e16c53c0c6bba3f0484dbf74646f"><td·class="memItemLeft"·align="right"·valign="top">static·const·string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d54/a08578.html#a45e4e16c53c0c6bba3f0484dbf74646f">SPACE_GROUP_FILE</a></td></tr>79 <tr·class="memitem:a45e4e16c53c0c6bba3f0484dbf74646f"><td·class="memItemLeft"·align="right"·valign="top">static·const·string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d54/a08578.html#a45e4e16c53c0c6bba3f0484dbf74646f">SPACE_GROUP_FILE</a></td></tr>
80 <tr·class="separator:a45e4e16c53c0c6bba3f0484dbf74646f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a45e4e16c53c0c6bba3f0484dbf74646f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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83 <div·class="textblock"><p·><a·class="el"·href="../../d2/d54/a08578.html">Option</a>·Names·</p>83 <div·class="textblock"><p·><a·class="el"·href="../../d2/d54/a08578.html">Option</a>·Names·</p>
  
84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d26/a01700_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../d4/d26/a01700_source.html">crystalGenerator.h</a>.</p>84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df1/a00662_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../dc/df1/a00662_source.html">crystalGenerator.h</a>.</p>
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87 <h2·class="memtitle"><span·class="permalink"><a·href="#a45e4e16c53c0c6bba3f0484dbf74646f">&#9670;&nbsp;</a></span>SPACE_GROUP_FILE</h2>87 <h2·class="memtitle"><span·class="permalink"><a·href="#a45e4e16c53c0c6bba3f0484dbf74646f">&#9670;&nbsp;</a></span>SPACE_GROUP_FILE</h2>
  
88 <div·class="memitem">88 <div·class="memitem">
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102 ··<td·class="mlabels-right">102 ··<td·class="mlabels-right">
103 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>103 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
104 ··</tr>104 ··</tr>
105 </table>105 </table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
107 <p·>The·file·name·for·the·space·group·to·symmetry·operations·mappings·file·</p>107 <p·>The·file·name·for·the·space·group·to·symmetry·operations·mappings·file·</p>
  
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110 </div>110 </div>
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112 <!--·start·footer·part·-->112 <!--·start·footer·part·-->
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73 <div·class="contents">73 <div·class="contents">
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75 <code>#include·&lt;<a·class="el"·href="../../d4/d49/a01643_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d9/d79/a01658_source.html">BALL/STRUCTURE/smartsMatcher.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../dd/ddc/a01802_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/MATHS/common.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
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79 <p><a·href="../../d2/d5b/a01841_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d2/d5b/a01841_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">80 <table·class="memberdecls">
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82 Classes</h2></td></tr>82 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d54/a04918.html">BALL::TVector3&lt;·T·&gt;</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df3/a06978.html">BALL::MolecularSimilarity</a></td></tr>
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87 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
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90 </table><table·class="memberdecls"> 
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Global·binary·operators·for·three-dimensional·vectors.</h2></td></tr> 
92 <tr·class="memitem:aa9fccf5a468c02f8dc3cd89925e7affd"><td·class="memItemLeft"·align="right"·valign="top">typedef·TVector3&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">BALL::Vector3</a></td></tr> 
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96 <tr·class="memitem:a5f9d07bb4dd33954c0fb653a5df64064"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
97 <tr·class="memitem:a5f9d07bb4dd33954c0fb653a5df64064"><td·class="memTemplItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d1/dd8/a01022.html#aac36dac5eb210529000645a87a85b79c">BALL_INLINE</a>·TVector3&lt;·T·&gt;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a5f9d07bb4dd33954c0fb653a5df64064">BALL::operator*</a>·(const·T·&amp;a,·const·TVector3&lt;·T·&gt;·&amp;b)</td></tr> 
98 <tr·class="separator:a5f9d07bb4dd33954c0fb653a5df64064"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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100 <tr·class="memitem:a08054d4af8650a154052843d2625feff"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a08054d4af8650a154052843d2625feff">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·TVector3&lt;·T·&gt;·&amp;vector)</td></tr> 
101 <tr·class="separator:a08054d4af8650a154052843d2625feff"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 <tr·class="memitem:a44675e8d16977e399d1b192d20623548"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
103 <tr·class="memitem:a44675e8d16977e399d1b192d20623548"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a44675e8d16977e399d1b192d20623548">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·TVector3&lt;·T·&gt;·&amp;vector)</td></tr> 
104 <tr·class="separator:a44675e8d16977e399d1b192d20623548"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
105 </table>90 </table>
106 </div><!--·contents·-->91 </div><!--·contents·-->
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108 <hr·class="footer"/><address·class="footer"><small>93 <hr·class="footer"/><address·class="footer"><small>
109 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.494 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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8 <title>BALL:·energyMinimizer.h·File·Reference</title>8 <title>BALL:·processor.h·File·Reference</title>
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65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">energyMinimizer.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">processor.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../dd/db2/a00866_source.html">BALL/CONCEPT/baseFunctor.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../df/d41/a00881_source.html">BALL/MOLMEC/COMMON/gradient.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
76 </div>77 </div>
77 <p><a·href="../../d2/d5e/a00860_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d2/d5e/a00860_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">79 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d1c/a03346.html">BALL::ConstBinaryProcessor&lt;·T1,·T2·&gt;</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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71 <a·href="../../df/dd4/a08323.html">List·of·all·members</a>··</div>71 <a·href="../../df/dd4/a08323.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::XML3DRenderer::XML3DRendererClippingPlane·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::XML3DRenderer::XML3DRendererClippingPlane·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d16/a01154_source.html">BALL/VIEW/RENDERING/RENDERERS/XML3DRenderer.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d42/a01463_source.html">BALL/VIEW/RENDERING/RENDERERS/XML3DRenderer.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a755c2cf3cbcd3a3aa7867153d0756f9b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d63/a08326.html#a755c2cf3cbcd3a3aa7867153d0756f9b">normal</a></td></tr>79 <tr·class="memitem:a755c2cf3cbcd3a3aa7867153d0756f9b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d63/a08326.html#a755c2cf3cbcd3a3aa7867153d0756f9b">normal</a></td></tr>
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81 <tr·class="memitem:ad687418ee914ee926748489b3d25f2d8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d63/a08326.html#ad687418ee914ee926748489b3d25f2d8">translation</a></td></tr>81 <tr·class="memitem:ad687418ee914ee926748489b3d25f2d8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d63/a08326.html#ad687418ee914ee926748489b3d25f2d8">translation</a></td></tr>
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86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a01154_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d5/d16/a01154_source.html">XML3DRenderer.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d42/a01463_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d7/d42/a01463_source.html">XML3DRenderer.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
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89 <h2·class="memtitle"><span·class="permalink"><a·href="#a755c2cf3cbcd3a3aa7867153d0756f9b">&#9670;&nbsp;</a></span>normal</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#a755c2cf3cbcd3a3aa7867153d0756f9b">&#9670;&nbsp;</a></span>normal</h2>
  
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94 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·BALL::VIEW::XML3DRenderer::XML3DRendererClippingPlane::normal</td>94 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·BALL::VIEW::XML3DRenderer::XML3DRendererClippingPlane::normal</td>
95 ········</tr>95 ········</tr>
96 ······</table>96 ······</table>
97 </div><div·class="memdoc">97 </div><div·class="memdoc">
  
98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a01154_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d5/d16/a01154_source.html">XML3DRenderer.h</a>.</p>98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d42/a01463_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d7/d42/a01463_source.html">XML3DRenderer.h</a>.</p>
  
99 </div>99 </div>
100 </div>100 </div>
101 <a·id="ad687418ee914ee926748489b3d25f2d8"·name="ad687418ee914ee926748489b3d25f2d8"></a>101 <a·id="ad687418ee914ee926748489b3d25f2d8"·name="ad687418ee914ee926748489b3d25f2d8"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#ad687418ee914ee926748489b3d25f2d8">&#9670;&nbsp;</a></span>translation</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#ad687418ee914ee926748489b3d25f2d8">&#9670;&nbsp;</a></span>translation</h2>
  
103 <div·class="memitem">103 <div·class="memitem">
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112 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::VIEW::XML3DRenderer::XML3DRendererClippingPlane::translation</td>112 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::VIEW::XML3DRenderer::XML3DRendererClippingPlane::translation</td>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d0/dd0/a07451.html">List·of·all·members</a>··</div>70 <a·href="../../d0/dd0/a07451.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorHSV·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../dd/dce/a02200.html">Different·color·classes</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorHSV·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../dd/dce/a02200.html">Different·color·classes</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d8/d7b/a01478_source.html">BALL/VIEW/DATATYPE/colorHSV.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../de/d1f/a01364_source.html">BALL/VIEW/DATATYPE/colorHSV.h</a>&gt;</code></p>
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179 <tr·class="memitem:a86679a24a5e548a6f7f8cc5f132a4ad8"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d64/a07454.html#a86679a24a5e548a6f7f8cc5f132a4ad8">operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>·&amp;color)</td></tr>179 <tr·class="memitem:a86679a24a5e548a6f7f8cc5f132a4ad8"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d64/a07454.html#a86679a24a5e548a6f7f8cc5f132a4ad8">operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>·&amp;color)</td></tr>
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181 </table>181 </table>
182 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>182 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
183 <div·class="textblock"><p·><a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>·class.·An·instance·of·<a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>·represents·a·color·consisting·of·the·components·hue,·saturation·and·value.·The·components·staturation·and·values·are·<a·class="el"·href="../../db/d86/a07466.html">ColorUnit·</a>·'s.·The·component·hue·is·of·class·type·<a·class="el"·href="../../d4/d7b/a07474.html">ColorUnitHue·</a>·.·See·description·of·these·classes·for·further·informations·concerning·type·conversions.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>183 <div·class="textblock"><p·><a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>·class.·An·instance·of·<a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>·represents·a·color·consisting·of·the·components·hue,·saturation·and·value.·The·components·staturation·and·values·are·<a·class="el"·href="../../db/d86/a07466.html">ColorUnit·</a>·'s.·The·component·hue·is·of·class·type·<a·class="el"·href="../../d4/d7b/a07474.html">ColorUnitHue·</a>·.·See·description·of·these·classes·for·further·informations·concerning·type·conversions.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
184 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d7b/a01478_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d8/d7b/a01478_source.html">colorHSV.h</a>.</p>184 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1f/a01364_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../de/d1f/a01364_source.html">colorHSV.h</a>.</p>
185 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>185 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
186 <a·id="a562bf8a4cb360ad004f8163f103dcad0"·name="a562bf8a4cb360ad004f8163f103dcad0"></a>186 <a·id="a562bf8a4cb360ad004f8163f103dcad0"·name="a562bf8a4cb360ad004f8163f103dcad0"></a>
187 <h2·class="memtitle"><span·class="permalink"><a·href="#a562bf8a4cb360ad004f8163f103dcad0">&#9670;&nbsp;</a></span>ColorHSV()·<span·class="overload">[1/6]</span></h2>187 <h2·class="memtitle"><span·class="permalink"><a·href="#a562bf8a4cb360ad004f8163f103dcad0">&#9670;&nbsp;</a></span>ColorHSV()·<span·class="overload">[1/6]</span></h2>
  
188 <div·class="memitem">188 <div·class="memitem">
189 <div·class="memproto">189 <div·class="memproto">
190 ······<table·class="memname">190 ······<table·class="memname">
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1147 ··<td·class="mlabels-right">1147 ··<td·class="mlabels-right">
1148 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>1148 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
1149 ··</tr>1149 ··</tr>
1150 </table>1150 </table>
1151 </div><div·class="memdoc">1151 </div><div·class="memdoc">
  
1152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d7b/a01478_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d8/d7b/a01478_source.html">colorHSV.h</a>.</p>1152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1f/a01364_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../de/d1f/a01364_source.html">colorHSV.h</a>.</p>
  
1153 </div>1153 </div>
1154 </div>1154 </div>
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1156 <h2·class="memtitle"><span·class="permalink"><a·href="#a86679a24a5e548a6f7f8cc5f132a4ad8">&#9670;&nbsp;</a></span>operator&lt;&lt;</h2>1156 <h2·class="memtitle"><span·class="permalink"><a·href="#a86679a24a5e548a6f7f8cc5f132a4ad8">&#9670;&nbsp;</a></span>operator&lt;&lt;</h2>
  
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8 <title>BALL:·stageSettings.h·File·Reference</title>8 <title>BALL:·dialogs.doc·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul> 
65 </div> 
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67 <div·class="header">63 <div·class="header">
68 ··<div·class="summary"> 
69 <a·href="#nested-classes">Classes</a>·&#124; 
70 <a·href="#namespaces">Namespaces</a>··</div> 
71 ··<div·class="headertitle"><div·class="title">stageSettings.h·File·Reference</div></div>64 ··<div·class="headertitle"><div·class="title">dialogs.doc·File·Reference</div></div>
72 </div><!--header-->65 </div><!--header-->
73 <div·class="contents">66 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d9/d5b/a01127_source.html">BALL/VIEW/RENDERING/renderSetup.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d6/db6/a01172_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;BALL/VIEW/UIC/ui_stageSettings.h&gt;</code><br·/> 
80 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/> 
81 </div> 
82 <p><a·href="../../d2/d68/a01295_source.html">Go·to·the·source·code·of·this·file.</a></p> 
83 <table·class="memberdecls"> 
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
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95 </table> 
96 </div><!--·contents·-->67 </div><!--·contents·-->
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99 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.470 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../d6/de9/a05083.html">List·of·all·members</a>··</div>71 <a·href="../../d6/de9/a05083.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PeriodicBoundary·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d03/a02172.html">General·Force·Field·Classes.</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PeriodicBoundary·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d03/a02172.html">General·Force·Field·Classes.</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/MOLMEC/COMMON/periodicBoundary.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d2/d1f/a00083_source.html">BALL/MOLMEC/COMMON/periodicBoundary.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
78 Classes</h2></td></tr>78 Classes</h2></td></tr>
79 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d78/a05094.html">Default</a></td></tr>79 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d78/a05094.html">Default</a></td></tr>
80 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../dc/d78/a05094.html"·title="Default·values.">Default</a>·values.··<a·href="../../dc/d78/a05094.html#details">More...</a><br·/></td></tr>80 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../dc/d78/a05094.html"·title="Default·values.">Default</a>·values.··<a·href="../../dc/d78/a05094.html#details">More...</a><br·/></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dbd/a05090.html">Option</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dbd/a05090.html">Option</a></td></tr>
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137 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Variables</h2></td></tr>137 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Variables</h2></td></tr>
138 <tr·class="memitem:a4dfa835ba3af509f696f6cd8001df03a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d69/a05086.html#a4dfa835ba3af509f696f6cd8001df03a">options</a></td></tr>138 <tr·class="memitem:a4dfa835ba3af509f696f6cd8001df03a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d69/a05086.html#a4dfa835ba3af509f696f6cd8001df03a">options</a></td></tr>
139 <tr·class="separator:a4dfa835ba3af509f696f6cd8001df03a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>139 <tr·class="separator:a4dfa835ba3af509f696f6cd8001df03a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
140 </table>140 </table>
141 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>141 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
142 <div·class="textblock"><p·>Periodic·boundary·class·for·force·field·simulations.·Molecular·Mechanics:·class·representing·periodic·boundary·conditions.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>142 <div·class="textblock"><p·>Periodic·boundary·class·for·force·field·simulations.·Molecular·Mechanics:·class·representing·periodic·boundary·conditions.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d92/a00887_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d7/d92/a00887_source.html">periodicBoundary.h</a>.</p>143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a00083_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d2/d1f/a00083_source.html">periodicBoundary.h</a>.</p>
144 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>144 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
145 <a·id="aeca76e90a2a9ec34d7ff2af6741ba8f9"·name="aeca76e90a2a9ec34d7ff2af6741ba8f9"></a>145 <a·id="aeca76e90a2a9ec34d7ff2af6741ba8f9"·name="aeca76e90a2a9ec34d7ff2af6741ba8f9"></a>
146 <h2·class="memtitle"><span·class="permalink"><a·href="#aeca76e90a2a9ec34d7ff2af6741ba8f9">&#9670;&nbsp;</a></span>AtomIndexArray</h2>146 <h2·class="memtitle"><span·class="permalink"><a·href="#aeca76e90a2a9ec34d7ff2af6741ba8f9">&#9670;&nbsp;</a></span>AtomIndexArray</h2>
  
147 <div·class="memitem">147 <div·class="memitem">
148 <div·class="memproto">148 <div·class="memproto">
149 ······<table·class="memname">149 ······<table·class="memname">
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152 ········</tr>152 ········</tr>
153 ······</table>153 ······</table>
154 </div><div·class="memdoc">154 </div><div·class="memdoc">
  
155 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d92/a00887_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d7/d92/a00887_source.html">periodicBoundary.h</a>.</p>155 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a00083_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d2/d1f/a00083_source.html">periodicBoundary.h</a>.</p>
  
156 </div>156 </div>
157 </div>157 </div>
158 <a·id="ad0c8274f22b12218df4cadf65deb7f1a"·name="ad0c8274f22b12218df4cadf65deb7f1a"></a>158 <a·id="ad0c8274f22b12218df4cadf65deb7f1a"·name="ad0c8274f22b12218df4cadf65deb7f1a"></a>
159 <h2·class="memtitle"><span·class="permalink"><a·href="#ad0c8274f22b12218df4cadf65deb7f1a">&#9670;&nbsp;</a></span>AtomIndexPair</h2>159 <h2·class="memtitle"><span·class="permalink"><a·href="#ad0c8274f22b12218df4cadf65deb7f1a">&#9670;&nbsp;</a></span>AtomIndexPair</h2>
  
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168 ········<tr>168 ········<tr>
169 ··········<td·class="memname">typedef·std::pair&lt;<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&gt;·<a·class="el"·href="../../d2/d69/a05086.html#ad0c8274f22b12218df4cadf65deb7f1a">BALL::PeriodicBoundary::AtomIndexPair</a></td>169 ··········<td·class="memname">typedef·std::pair&lt;<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&gt;·<a·class="el"·href="../../d2/d69/a05086.html#ad0c8274f22b12218df4cadf65deb7f1a">BALL::PeriodicBoundary::AtomIndexPair</a></td>
170 ········</tr>170 ········</tr>
171 ······</table>171 ······</table>
172 </div><div·class="memdoc">172 </div><div·class="memdoc">
  
173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d92/a00887_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d7/d92/a00887_source.html">periodicBoundary.h</a>.</p>173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a00083_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d2/d1f/a00083_source.html">periodicBoundary.h</a>.</p>
  
174 </div>174 </div>
175 </div>175 </div>
176 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>176 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
177 <a·id="a0877b823e050ad8e9d3ffbb0ef92253c"·name="a0877b823e050ad8e9d3ffbb0ef92253c"></a>177 <a·id="a0877b823e050ad8e9d3ffbb0ef92253c"·name="a0877b823e050ad8e9d3ffbb0ef92253c"></a>
178 <h2·class="memtitle"><span·class="permalink"><a·href="#a0877b823e050ad8e9d3ffbb0ef92253c">&#9670;&nbsp;</a></span>PeriodicBoundary()·<span·class="overload">[1/3]</span></h2>178 <h2·class="memtitle"><span·class="permalink"><a·href="#a0877b823e050ad8e9d3ffbb0ef92253c">&#9670;&nbsp;</a></span>PeriodicBoundary()·<span·class="overload">[1/3]</span></h2>
  
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504 ········<tr>504 ········<tr>
505 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>*·BALL::PeriodicBoundary::options</td>505 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>*·BALL::PeriodicBoundary::options</td>
506 ········</tr>506 ········</tr>
507 ······</table>507 ······</table>
508 </div><div·class="memdoc">508 </div><div·class="memdoc">
509 <p·>Periodic·Boundary·options.·This·is·usually·a·pointer·to·the·options·of·the·force·field·the·<a·class="el"·href="../../d2/d69/a05086.html">PeriodicBoundary</a>·object·is·contained·in.·</p>509 <p·>Periodic·Boundary·options.·This·is·usually·a·pointer·to·the·options·of·the·force·field·the·<a·class="el"·href="../../d2/d69/a05086.html">PeriodicBoundary</a>·object·is·contained·in.·</p>
  
510 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d92/a00887_source.html#l00245">245</a>·of·file·<a·class="el"·href="../../d7/d92/a00887_source.html">periodicBoundary.h</a>.</p>510 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a00083_source.html#l00245">245</a>·of·file·<a·class="el"·href="../../d2/d1f/a00083_source.html">periodicBoundary.h</a>.</p>
  
511 </div>511 </div>
512 </div>512 </div>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../da/d9d/a04751.html">List·of·all·members</a>··</div>71 <a·href="../../da/d9d/a04751.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ChargePredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ChargePredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::ChargePredicate:</div>77 Inheritance·diagram·for·BALL::ChargePredicate:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d2/d6c/a04754.png"·usemap="#BALL::ChargePredicate_map"·alt=""/>80 ··<img·src="../../d2/d6c/a04754.png"·usemap="#BALL::ChargePredicate_map"·alt=""/>
81 ··<map·id="BALL::ChargePredicate_map"·name="BALL::ChargePredicate_map">81 ··<map·id="BALL::ChargePredicate_map"·name="BALL::ChargePredicate_map">
82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Charge·predicate·</p>122 <div·class="textblock"><p·>Charge·predicate·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00775">775</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00775">775</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
125 <a·id="a42f4669b0823bff8106bf24e0ae952e3"·name="a42f4669b0823bff8106bf24e0ae952e3"></a>125 <a·id="a42f4669b0823bff8106bf24e0ae952e3"·name="a42f4669b0823bff8106bf24e0ae952e3"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a42f4669b0823bff8106bf24e0ae952e3">&#9670;&nbsp;</a></span>operator()()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a42f4669b0823bff8106bf24e0ae952e3">&#9670;&nbsp;</a></span>operator()()</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
128 <div·class="memproto">128 <div·class="memproto">
129 <table·class="mlabels">129 <table·class="mlabels">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../dd/d49/a05839.html">List·of·all·members</a>··</div>71 <a·href="../../dd/d49/a05839.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::RegressionValidation·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::RegressionValidation·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d7/dbe/a02024_source.html">BALL/QSAR/regressionValidation.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d13/a00377_source.html">BALL/QSAR/regressionValidation.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::QSAR::RegressionValidation:</div>77 Inheritance·diagram·for·BALL::QSAR::RegressionValidation:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d2/d70/a05842.png"·usemap="#BALL::QSAR::RegressionValidation_map"·alt=""/>80 ··<img·src="../../d2/d70/a05842.png"·usemap="#BALL::QSAR::RegressionValidation_map"·alt=""/>
81 ··<map·id="BALL::QSAR::RegressionValidation_map"·name="BALL::QSAR::RegressionValidation_map">81 ··<map·id="BALL::QSAR::RegressionValidation_map"·name="BALL::QSAR::RegressionValidation_map">
82 <area·href="../../de/d8c/a06114.html"·alt="BALL::QSAR::Validation"·shape="rect"·coords="0,0,209,24"/>82 <area·href="../../de/d8c/a06114.html"·alt="BALL::QSAR::Validation"·shape="rect"·coords="0,0,209,24"/>
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171 <tr·class="separator:ac34cbc0c32fd360aa2d718d5c400129a·inherit·pro_attribs_a06114"><td·class="memSeparator"·colspan="2">&#160;</td></tr>171 <tr·class="separator:ac34cbc0c32fd360aa2d718d5c400129a·inherit·pro_attribs_a06114"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
172 <tr·class="memitem:acb39d3a5d33ea90657412bde99a8335c·inherit·pro_attribs_a06114"><td·class="memItemLeft"·align="right"·valign="top">Eigen::MatrixXd&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8c/a06114.html#acb39d3a5d33ea90657412bde99a8335c">yRand_results_</a></td></tr>172 <tr·class="memitem:acb39d3a5d33ea90657412bde99a8335c·inherit·pro_attribs_a06114"><td·class="memItemLeft"·align="right"·valign="top">Eigen::MatrixXd&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8c/a06114.html#acb39d3a5d33ea90657412bde99a8335c">yRand_results_</a></td></tr>
173 <tr·class="separator:acb39d3a5d33ea90657412bde99a8335c·inherit·pro_attribs_a06114"><td·class="memSeparator"·colspan="2">&#160;</td></tr>173 <tr·class="separator:acb39d3a5d33ea90657412bde99a8335c·inherit·pro_attribs_a06114"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
174 </table>174 </table>
175 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>175 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
176 <div·class="textblock"><p·>class·for·validation·of·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·regression·models·</p>176 <div·class="textblock"><p·>class·for·validation·of·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·regression·models·</p>
  
177 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dbe/a02024_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d7/dbe/a02024_source.html">regressionValidation.h</a>.</p>177 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d13/a00377_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d4/d13/a00377_source.html">regressionValidation.h</a>.</p>
178 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>178 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
179 <a·id="a2c306f8ac5d3e4c3b898edff9bd704c5"·name="a2c306f8ac5d3e4c3b898edff9bd704c5"></a>179 <a·id="a2c306f8ac5d3e4c3b898edff9bd704c5"·name="a2c306f8ac5d3e4c3b898edff9bd704c5"></a>
180 <h2·class="memtitle"><span·class="permalink"><a·href="#a2c306f8ac5d3e4c3b898edff9bd704c5">&#9670;&nbsp;</a></span>RegressionValidation()</h2>180 <h2·class="memtitle"><span·class="permalink"><a·href="#a2c306f8ac5d3e4c3b898edff9bd704c5">&#9670;&nbsp;</a></span>RegressionValidation()</h2>
  
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li><li·class="navelem"><a·class="el"·href="../../dir_44c71f2b1d1d8faff5c132b93515fa86.html">MODES</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
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71 ··<div·class="headertitle"><div·class="title">interactionModeManager.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">serverWidget.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/db6/a01172_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;list&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d7/d49/a00863_source.html">BALL/CONCEPT/objectCreator.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../dc/dce/a00740_source.html">BALL/SYSTEM/networking.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code><br·/>
76 <code>#include·&lt;QtCore/QObject&gt;</code><br·/>80 <code>#include·&lt;QtCore/QTimer&gt;</code><br·/>
 81 <code>#include·&lt;QtWidgets/QLabel&gt;</code><br·/>
 82 <code>#include·&lt;BALL/VIEW/KERNEL/serverWidget.iC&gt;</code><br·/>
77 </div>83 </div>
78 <p><a·href="../../d2/d71/a01055_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d2/d71/a01055_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">85 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>87 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d75/a07906.html">BALL::VIEW::InteractionModeManager</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dbd/a07942.html">BALL::VIEW::ServerWidget</a></td></tr>
 89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/db3/a07946.html">BALL::VIEW::ServerWidget::NotCompositeObject</a></td></tr>
 91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dc8/a07950.html">BALL::VIEW::ServerWidget::BALLViewServer</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
84 </table><table·class="memberdecls">94 </table><table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
86 Namespaces</h2></td></tr>96 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>99 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="../../d0/d45/a05315.html">List·of·all·members</a>··</div>72 <a·href="../../d0/d45/a05315.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::MMFF94StretchBend·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::MMFF94StretchBend·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d3/dcd/a00965_source.html">BALL/MOLMEC/MMFF94/MMFF94StretchBend.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../df/d6a/a00119_source.html">BALL/MOLMEC/MMFF94/MMFF94StretchBend.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::MMFF94StretchBend:</div>78 Inheritance·diagram·for·BALL::MMFF94StretchBend:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d2/d74/a05318.png"·usemap="#BALL::MMFF94StretchBend_map"·alt=""/>81 ··<img·src="../../d2/d74/a05318.png"·usemap="#BALL::MMFF94StretchBend_map"·alt=""/>
82 ··<map·id="BALL::MMFF94StretchBend_map"·name="BALL::MMFF94StretchBend_map">82 ··<map·id="BALL::MMFF94StretchBend_map"·name="BALL::MMFF94StretchBend_map">
83 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>83 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>
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271 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>271 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
272 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>272 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
273 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>273 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
274 </table>274 </table>
275 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>275 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
276 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·bond·stretch·component·</p>276 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·bond·stretch·component·</p>
  
277 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dcd/a00965_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d3/dcd/a00965_source.html">MMFF94StretchBend.h</a>.</p>277 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6a/a00119_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../df/d6a/a00119_source.html">MMFF94StretchBend.h</a>.</p>
278 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>278 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
279 <a·id="afeb8c662b3e8218f0acb7e45b9777fca"·name="afeb8c662b3e8218f0acb7e45b9777fca"></a>279 <a·id="afeb8c662b3e8218f0acb7e45b9777fca"·name="afeb8c662b3e8218f0acb7e45b9777fca"></a>
280 <h2·class="memtitle"><span·class="permalink"><a·href="#afeb8c662b3e8218f0acb7e45b9777fca">&#9670;&nbsp;</a></span>MMFF94StretchBend()·<span·class="overload">[1/3]</span></h2>280 <h2·class="memtitle"><span·class="permalink"><a·href="#afeb8c662b3e8218f0acb7e45b9777fca">&#9670;&nbsp;</a></span>MMFF94StretchBend()·<span·class="overload">[1/3]</span></h2>
  
281 <div·class="memitem">281 <div·class="memitem">
282 <div·class="memproto">282 <div·class="memproto">
283 ······<table·class="memname">283 ······<table·class="memname">
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556 ··</td>556 ··</td>
557 ··<td·class="mlabels-right">557 ··<td·class="mlabels-right">
558 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>558 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
559 ··</tr>559 ··</tr>
560 </table>560 </table>
561 </div><div·class="memdoc">561 </div><div·class="memdoc">
  
562 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dcd/a00965_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../d3/dcd/a00965_source.html">MMFF94StretchBend.h</a>.</p>562 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6a/a00119_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../df/d6a/a00119_source.html">MMFF94StretchBend.h</a>.</p>
  
563 </div>563 </div>
564 </div>564 </div>
565 <a·id="a4e5daea77265ac4839a884b0b621324e"·name="a4e5daea77265ac4839a884b0b621324e"></a>565 <a·id="a4e5daea77265ac4839a884b0b621324e"·name="a4e5daea77265ac4839a884b0b621324e"></a>
566 <h2·class="memtitle"><span·class="permalink"><a·href="#a4e5daea77265ac4839a884b0b621324e">&#9670;&nbsp;</a></span>getBendType()</h2>566 <h2·class="memtitle"><span·class="permalink"><a·href="#a4e5daea77265ac4839a884b0b621324e">&#9670;&nbsp;</a></span>getBendType()</h2>
  
567 <div·class="memitem">567 <div·class="memitem">
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646 ··</td>646 ··</td>
647 ··<td·class="mlabels-right">647 ··<td·class="mlabels-right">
648 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>648 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
649 ··</tr>649 ··</tr>
650 </table>650 </table>
651 </div><div·class="memdoc">651 </div><div·class="memdoc">
  
652 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dcd/a00965_source.html#l00155">155</a>·of·file·<a·class="el"·href="../../d3/dcd/a00965_source.html">MMFF94StretchBend.h</a>.</p>652 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6a/a00119_source.html#l00155">155</a>·of·file·<a·class="el"·href="../../df/d6a/a00119_source.html">MMFF94StretchBend.h</a>.</p>
  
653 </div>653 </div>
654 </div>654 </div>
655 <a·id="a4c42a3ef65536371b83bf70d673f9dc6"·name="a4c42a3ef65536371b83bf70d673f9dc6"></a>655 <a·id="a4c42a3ef65536371b83bf70d673f9dc6"·name="a4c42a3ef65536371b83bf70d673f9dc6"></a>
656 <h2·class="memtitle"><span·class="permalink"><a·href="#a4c42a3ef65536371b83bf70d673f9dc6">&#9670;&nbsp;</a></span>getStretchEnergy()</h2>656 <h2·class="memtitle"><span·class="permalink"><a·href="#a4c42a3ef65536371b83bf70d673f9dc6">&#9670;&nbsp;</a></span>getStretchEnergy()</h2>
  
657 <div·class="memitem">657 <div·class="memitem">
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690 ··</td>690 ··</td>
691 ··<td·class="mlabels-right">691 ··<td·class="mlabels-right">
692 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>692 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
693 ··</tr>693 ··</tr>
694 </table>694 </table>
695 </div><div·class="memdoc">695 </div><div·class="memdoc">
  
696 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dcd/a00965_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../d3/dcd/a00965_source.html">MMFF94StretchBend.h</a>.</p>696 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6a/a00119_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../df/d6a/a00119_source.html">MMFF94StretchBend.h</a>.</p>
  
697 </div>697 </div>
698 </div>698 </div>
699 <a·id="abda3ffd28c1e7170a866e53db60bf270"·name="abda3ffd28c1e7170a866e53db60bf270"></a>699 <a·id="abda3ffd28c1e7170a866e53db60bf270"·name="abda3ffd28c1e7170a866e53db60bf270"></a>
700 <h2·class="memtitle"><span·class="permalink"><a·href="#abda3ffd28c1e7170a866e53db60bf270">&#9670;&nbsp;</a></span>setup()</h2>700 <h2·class="memtitle"><span·class="permalink"><a·href="#abda3ffd28c1e7170a866e53db60bf270">&#9670;&nbsp;</a></span>setup()</h2>
  
701 <div·class="memitem">701 <div·class="memitem">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d2/dab/a07363.html">List·of·all·members</a>··</div>71 <a·href="../../d2/dab/a07363.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::TMutex&lt;·MutexType·&gt;·Class·Template·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TMutex&lt;·MutexType·&gt;·Class·Template·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../de/db5/a01730_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::TMutex&lt;·MutexType·&gt;:</div>77 Inheritance·diagram·for·BALL::TMutex&lt;·MutexType·&gt;:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d2/d7a/a07366.png"·usemap="#BALL::TMutex_3C_20MutexType_20_3E_map"·alt=""/>80 ··<img·src="../../d2/d7a/a07366.png"·usemap="#BALL::TMutex_3C_20MutexType_20_3E_map"·alt=""/>
81 ··<map·id="BALL::TMutex_3C_20MutexType_20_3E_map"·name="BALL::TMutex_3C_20MutexType_20_3E_map">81 ··<map·id="BALL::TMutex_3C_20MutexType_20_3E_map"·name="BALL::TMutex_3C_20MutexType_20_3E_map">
82 <area·href="../../d2/ddf/a20018.html"·alt="MutexType"·shape="rect"·coords="0,0,176,24"/>82 <area·href="../../d2/ddf/a20018.html"·alt="MutexType"·shape="rect"·coords="0,0,176,24"/>
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90 <tr·class="separator:a77d2a18fa677ebba7889f3f7e202154f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a77d2a18fa677ebba7889f3f7e202154f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table>91 </table>
92 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>92 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
93 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·<a·class="el"·href="../../d2/ddf/a20018.html">MutexType</a>&gt;<br·/>93 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·<a·class="el"·href="../../d2/ddf/a20018.html">MutexType</a>&gt;<br·/>
94 class·BALL::TMutex&lt;·MutexType·&gt;</div><p·>This·class·provides·a·very·thin·wrapper·around·different·mutex·types.·As·default,·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·supports·QMutex,·but·if·it·has·been·configured·with·boost::thread·support·enabled,·boost::mutex·can·also·be·used.·Similarly,·we·can·simply·provide·instantiations·using,·e.g,·Intel·thread·building·blocks.</p>94 class·BALL::TMutex&lt;·MutexType·&gt;</div><p·>This·class·provides·a·very·thin·wrapper·around·different·mutex·types.·As·default,·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·supports·QMutex,·but·if·it·has·been·configured·with·boost::thread·support·enabled,·boost::mutex·can·also·be·used.·Similarly,·we·can·simply·provide·instantiations·using,·e.g,·Intel·thread·building·blocks.</p>
95 <p·>A·BALL-mutex·needs·to·provide·the·functions·void·lock(),·void·unlock(),·and·bool·tryLock().·</p>95 <p·>A·BALL-mutex·needs·to·provide·the·functions·void·lock(),·void·unlock(),·and·bool·tryLock().·</p>
  
96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">mutex.h</a>.</p>96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
97 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>97 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
98 <a·id="a77d2a18fa677ebba7889f3f7e202154f"·name="a77d2a18fa677ebba7889f3f7e202154f"></a>98 <a·id="a77d2a18fa677ebba7889f3f7e202154f"·name="a77d2a18fa677ebba7889f3f7e202154f"></a>
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100 <div·class="memitem">100 <div·class="memitem">
101 <div·class="memproto">101 <div·class="memproto">
102 <div·class="memtemplate">102 <div·class="memtemplate">
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123 </div><div·class="memdoc">123 </div><div·class="memdoc">
  
124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">mutex.h</a>.</p>124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
  
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129 <hr·class="footer"/><address·class="footer"><small>129 <hr·class="footer"/><address·class="footer"><small>
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71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
73 <a·href="../../d3/d69/a07631.html">List·of·all·members</a>··</div>73 <a·href="../../d3/d69/a07631.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MainControlPreferences·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MainControlPreferences·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d6/d2f/a01394_source.html">BALL/VIEW/DIALOGS/mainControlPreferences.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../dc/dee/a01166_source.html">BALL/VIEW/DIALOGS/mainControlPreferences.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::VIEW::MainControlPreferences:</div>79 Inheritance·diagram·for·BALL::VIEW::MainControlPreferences:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d2/d7f/a07634.png"·usemap="#BALL::VIEW::MainControlPreferences_map"·alt=""/>82 ··<img·src="../../d2/d7f/a07634.png"·usemap="#BALL::VIEW::MainControlPreferences_map"·alt=""/>
83 ··<map·id="BALL::VIEW::MainControlPreferences_map"·name="BALL::VIEW::MainControlPreferences_map">83 ··<map·id="BALL::VIEW::MainControlPreferences_map"·name="BALL::VIEW::MainControlPreferences_map">
84 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,225,24"/>84 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,225,24"/>
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221 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>221 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
222 <div·class="textblock"><p·><a·class="el"·href="../../d2/d7f/a07634.html">MainControlPreferences</a>·is·a·widget·that·will·be·inserted·into·the·tab·dialog·<a·class="el"·href="../../dc/da1/a07694.html">Preferences</a>.·It·contains·the·following·settings:</p><ul>222 <div·class="textblock"><p·><a·class="el"·href="../../d2/d7f/a07634.html">MainControlPreferences</a>·is·a·widget·that·will·be·inserted·into·the·tab·dialog·<a·class="el"·href="../../dc/da1/a07694.html">Preferences</a>.·It·contains·the·following·settings:</p><ul>
223 <li>the·used·QT·style</li>223 <li>the·used·QT·style</li>
224 <li>if·<a·class="el"·href="../../de/d6b/a08378.html">DockWidget</a>·'s·contain·a·label·with·their·name</li>224 <li>if·<a·class="el"·href="../../de/d6b/a08378.html">DockWidget</a>·'s·contain·a·label·with·their·name</li>
225 <li>if·logging·to·a·file·is·enabled·</li>225 <li>if·logging·to·a·file·is·enabled·</li>
226 </ul>226 </ul>
  
227 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d2f/a01394_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d6/d2f/a01394_source.html">mainControlPreferences.h</a>.</p>227 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">mainControlPreferences.h</a>.</p>
228 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>228 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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231 <div·class="memitem">231 <div·class="memitem">
232 <div·class="memproto">232 <div·class="memproto">
233 ······<table·class="memname">233 ······<table·class="memname">
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345 ··</td>345 ··</td>
346 ··<td·class="mlabels-right">346 ··<td·class="mlabels-right">
347 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>347 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
348 ··</tr>348 ··</tr>
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351 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d2f/a01394_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../d6/d2f/a01394_source.html">mainControlPreferences.h</a>.</p>351 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">mainControlPreferences.h</a>.</p>
  
352 </div>352 </div>
353 </div>353 </div>
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355 <h2·class="memtitle"><span·class="permalink"><a·href="#a70410e61fc3fb3c54b22411105b19dfa">&#9670;&nbsp;</a></span>getSkipDriverChecks()</h2>355 <h2·class="memtitle"><span·class="permalink"><a·href="#a70410e61fc3fb3c54b22411105b19dfa">&#9670;&nbsp;</a></span>getSkipDriverChecks()</h2>
  
356 <div·class="memitem">356 <div·class="memitem">
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436 ··</td>436 ··</td>
437 ··<td·class="mlabels-right">437 ··<td·class="mlabels-right">
438 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>438 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
439 ··</tr>439 ··</tr>
440 </table>440 </table>
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442 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d2f/a01394_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../d6/d2f/a01394_source.html">mainControlPreferences.h</a>.</p>442 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">mainControlPreferences.h</a>.</p>
  
443 </div>443 </div>
444 </div>444 </div>
445 <a·id="a7d2c0bc3ae0e8c7de97495feb7698eab"·name="a7d2c0bc3ae0e8c7de97495feb7698eab"></a>445 <a·id="a7d2c0bc3ae0e8c7de97495feb7698eab"·name="a7d2c0bc3ae0e8c7de97495feb7698eab"></a>
446 <h2·class="memtitle"><span·class="permalink"><a·href="#a7d2c0bc3ae0e8c7de97495feb7698eab">&#9670;&nbsp;</a></span>selectFont</h2>446 <h2·class="memtitle"><span·class="permalink"><a·href="#a7d2c0bc3ae0e8c7de97495feb7698eab">&#9670;&nbsp;</a></span>selectFont</h2>
  
447 <div·class="memitem">447 <div·class="memitem">
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564 ··</td>564 ··</td>
565 ··<td·class="mlabels-right">565 ··<td·class="mlabels-right">
566 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>566 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
567 ··</tr>567 ··</tr>
568 </table>568 </table>
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570 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d2f/a01394_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../d6/d2f/a01394_source.html">mainControlPreferences.h</a>.</p>570 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">mainControlPreferences.h</a>.</p>
  
571 </div>571 </div>
572 </div>572 </div>
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575 <div·class="memitem">575 <div·class="memitem">
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588 ··</td>588 ··</td>
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590 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>590 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
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595 </div>595 </div>
596 </div>596 </div>
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598 <!--·start·footer·part·-->598 <!--·start·footer·part·-->
599 <hr·class="footer"/><address·class="footer"><small>599 <hr·class="footer"/><address·class="footer"><small>
600 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4600 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../d7/dbe/a08587.html">List·of·all·members</a>··</div>71 <a·href="../../d7/dbe/a08587.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::CrystalInfo::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::CrystalInfo::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../df/d12/a01703_source.html">BALL/XRAY/crystalInfo.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/d46/a00665_source.html">BALL/XRAY/crystalInfo.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a8189de6f5373038303aaf93d07a9f1d2"><td·class="memItemLeft"·align="right"·valign="top">static·const·string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d80/a08590.html#a8189de6f5373038303aaf93d07a9f1d2">SPACE_GROUP_FILE</a></td></tr>79 <tr·class="memitem:a8189de6f5373038303aaf93d07a9f1d2"><td·class="memItemLeft"·align="right"·valign="top">static·const·string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d80/a08590.html#a8189de6f5373038303aaf93d07a9f1d2">SPACE_GROUP_FILE</a></td></tr>
80 <tr·class="separator:a8189de6f5373038303aaf93d07a9f1d2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a8189de6f5373038303aaf93d07a9f1d2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 </table>81 </table>
82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock"><p·><a·class="el"·href="../../d2/d80/a08590.html">Option</a>·Names·</p>83 <div·class="textblock"><p·><a·class="el"·href="../../d2/d80/a08590.html">Option</a>·Names·</p>
  
84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d12/a01703_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../df/d12/a01703_source.html">crystalInfo.h</a>.</p>84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d46/a00665_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../da/d46/a00665_source.html">crystalInfo.h</a>.</p>
85 </div><h2·class="groupheader">Member·Data·Documentation</h2>85 </div><h2·class="groupheader">Member·Data·Documentation</h2>
86 <a·id="a8189de6f5373038303aaf93d07a9f1d2"·name="a8189de6f5373038303aaf93d07a9f1d2"></a>86 <a·id="a8189de6f5373038303aaf93d07a9f1d2"·name="a8189de6f5373038303aaf93d07a9f1d2"></a>
87 <h2·class="memtitle"><span·class="permalink"><a·href="#a8189de6f5373038303aaf93d07a9f1d2">&#9670;&nbsp;</a></span>SPACE_GROUP_FILE</h2>87 <h2·class="memtitle"><span·class="permalink"><a·href="#a8189de6f5373038303aaf93d07a9f1d2">&#9670;&nbsp;</a></span>SPACE_GROUP_FILE</h2>
  
88 <div·class="memitem">88 <div·class="memitem">
89 <div·class="memproto">89 <div·class="memproto">
90 <table·class="mlabels">90 <table·class="mlabels">
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102 ··<td·class="mlabels-right">102 ··<td·class="mlabels-right">
103 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>103 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
104 ··</tr>104 ··</tr>
105 </table>105 </table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
107 <p·>The·file·name·for·the·space·group·to·symmetry·operations·mappings·file·</p>107 <p·>The·file·name·for·the·space·group·to·symmetry·operations·mappings·file·</p>
  
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d12/a01703_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../df/d12/a01703_source.html">crystalInfo.h</a>.</p>108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d46/a00665_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../da/d46/a00665_source.html">crystalInfo.h</a>.</p>
  
109 </div>109 </div>
110 </div>110 </div>
111 </div><!--·contents·-->111 </div><!--·contents·-->
112 <!--·start·footer·part·-->112 <!--·start·footer·part·-->
113 <hr·class="footer"/><address·class="footer"><small>113 <hr·class="footer"/><address·class="footer"><small>
114 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4114 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">nBModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">hydrogenBondSlick.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d8/d98/a02009_source.html">BALL/QSAR/bayesModel.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d5/d8b/a02060_source.html">BALL/QSAR/statistics.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
77 </div>77 </div>
78 <p><a·href="../../d2/d8a/a02063_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d2/d8a/a02063_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">79 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>81 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d98/a05782.html">BALL::QSAR::NBModel</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dc8/a06290.html">BALL::HydrogenBondSlick</a></td></tr>
 83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d96/a06294.html">BALL::HydrogenBondSlick::Option</a></td></tr>
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 86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d9a/a06298.html">BALL::HydrogenBondSlick::Default</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
84 </table><table·class="memberdecls">88 </table><table·class="memberdecls">
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86 Namespaces</h2></td></tr>90 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
91 </table>93 </table>
92 </div><!--·contents·-->94 </div><!--·contents·-->
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71 <a·href="../../dc/dc0/a03087.html">List·of·all·members</a>··</div>71 <a·href="../../dc/dc0/a03087.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Exception::NullPointer·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::NullPointer·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Exception::NullPointer:</div>77 Inheritance·diagram·for·BALL::Exception::NullPointer:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d2/d8b/a03090.png"·usemap="#BALL::Exception::NullPointer_map"·alt=""/>80 ··<img·src="../../d2/d8b/a03090.png"·usemap="#BALL::Exception::NullPointer_map"·alt=""/>
81 ··<map·id="BALL::Exception::NullPointer_map"·name="BALL::Exception::NullPointer_map">81 ··<map·id="BALL::Exception::NullPointer_map"·name="BALL::Exception::NullPointer_map">
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134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>Null·pointer·argument·is·invalid.·Use·this·exception·to·indicate·a·failure·due·to·an·argument·not·containing·a·pointer·to·a·valid·object,·but·a·null·pointer.·</p>136 <div·class="textblock"><p·>Null·pointer·argument·is·invalid.·Use·this·exception·to·indicate·a·failure·due·to·an·argument·not·containing·a·pointer·to·a·valid·object,·but·a·null·pointer.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00258">258</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00258">258</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="acb4d7a252952ce67432db482789274f0"·name="acb4d7a252952ce67432db482789274f0"></a>139 <a·id="acb4d7a252952ce67432db482789274f0"·name="acb4d7a252952ce67432db482789274f0"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#acb4d7a252952ce67432db482789274f0">&#9670;&nbsp;</a></span>NullPointer()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#acb4d7a252952ce67432db482789274f0">&#9670;&nbsp;</a></span>NullPointer()</h2>
  
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d5/d1a/a05767.html">List·of·all·members</a>··</div>70 <a·href="../../d5/d1a/a05767.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::MLRModel·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::MLRModel·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d4/dae/a01994_source.html">BALL/QSAR/mlrModel.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d5/d5f/a00461_source.html">BALL/QSAR/mlrModel.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::QSAR::MLRModel:</div>76 Inheritance·diagram·for·BALL::QSAR::MLRModel:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d2/d90/a05770.png"·usemap="#BALL::QSAR::MLRModel_map"·alt=""/>79 ··<img·src="../../d2/d90/a05770.png"·usemap="#BALL::QSAR::MLRModel_map"·alt=""/>
80 ··<map·id="BALL::QSAR::MLRModel_map"·name="BALL::QSAR::MLRModel_map">80 ··<map·id="BALL::QSAR::MLRModel_map"·name="BALL::QSAR::MLRModel_map">
81 <area·href="../../d7/db7/a05762.html"·alt="BALL::QSAR::LinearModel"·shape="rect"·coords="0,112,188,136"/>81 <area·href="../../d7/db7/a05762.html"·alt="BALL::QSAR::LinearModel"·shape="rect"·coords="0,112,188,136"/>
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236 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>236 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>
237 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>237 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
238 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>238 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
239 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>239 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
240 </table>240 </table>
241 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>241 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
242 <div·class="textblock">242 <div·class="textblock">
243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dae/a01994_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d4/dae/a01994_source.html">mlrModel.h</a>.</p>243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d5f/a00461_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d5/d5f/a00461_source.html">mlrModel.h</a>.</p>
244 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>244 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
245 <a·id="a64ba70dcb598d5f4a43d017882a78c87"·name="a64ba70dcb598d5f4a43d017882a78c87"></a>245 <a·id="a64ba70dcb598d5f4a43d017882a78c87"·name="a64ba70dcb598d5f4a43d017882a78c87"></a>
246 <h2·class="memtitle"><span·class="permalink"><a·href="#a64ba70dcb598d5f4a43d017882a78c87">&#9670;&nbsp;</a></span>MLRModel()</h2>246 <h2·class="memtitle"><span·class="permalink"><a·href="#a64ba70dcb598d5f4a43d017882a78c87">&#9670;&nbsp;</a></span>MLRModel()</h2>
  
247 <div·class="memitem">247 <div·class="memitem">
248 <div·class="memproto">248 <div·class="memproto">
249 ······<table·class="memname">249 ······<table·class="memname">
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67 <div·class="header">67 <div·class="header">
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69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">atomBijection.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">triple.h·File·Reference</div></div>
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73 <div·class="contents">73 <div·class="contents">
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75 <code>#include·&lt;<a·class="el"·href="../../d7/d00/a00401_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/> 
76 </div>75 </div>
77 <p><a·href="../../d2/d94/a00716_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d2/d94/a00716_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">77 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">point.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">renderSetup.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d27/a01043_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbc/a01451_source.html">BALL/VIEW/RENDERING/RENDERERS/glRenderer.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../de/d3c/a01490_source.html">BALL/VIEW/DATATYPE/vertex1.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d8/dd0/a01430_source.html">BALL/VIEW/RENDERING/renderTarget.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d5/da5/a01424_source.html">BALL/VIEW/RENDERING/glRenderWindow.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;QtCore/QThread&gt;</code><br·/>
 79 <code>#include·&lt;QtCore/QWaitCondition&gt;</code><br·/>
 80 <code>#include·&lt;boost/enable_shared_from_this.hpp&gt;</code><br·/>
 81 <code>#include·&lt;deque&gt;</code><br·/>
76 </div>82 </div>
77 <p><a·href="../../d2/d9b/a01433_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d2/d9b/a01433_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">84 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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85 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
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65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../df/d98/a00107_source.html">BALL/FORMAT/parameters.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
78 </div>76 </div>
79 <p><a·href="../../d2/d9d/a00464_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d2/d9d/a00464_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">78 <table·class="memberdecls">
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87 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
 71 <a·href="#typedef-members">Typedefs</a>··</div>
71 ··<div·class="headertitle"><div·class="title">trianglePoint.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">moleculeIterator.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d7e/a00530_source.html">BALL/KERNEL/iterator.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/STRUCTURE/graphEdge.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../df/d3b/a00728_source.html">BALL/STRUCTURE/graphFace.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/predicate.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d9/d0f/a00644_source.html">BALL/STRUCTURE/graphVertex.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../dc/d6e/a00833_source.html">BALL/CONCEPT/stdIteratorWrapper.h</a>&gt;</code><br·/>
78 </div>78 </div>
79 <p><a·href="../../d2/da3/a00593_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d2/da3/a00593_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">80 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>82 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d1a/a07302.html">BALL::TrianglePoint</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d6e/a04546.html">BALL::MoleculeIteratorTraits</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table><table·class="memberdecls">85 </table><table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
87 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
 92 Typedefs</h2></td></tr>
 93 <tr·class="memitem:a2b17b94ab2d9cd1346445d6e32009592"><td·class="memItemLeft"·align="right"·valign="top">typedef·BidirectionalIterator&lt;·Composite,·Molecule,·Composite::CompositeIterator,·MoleculeIteratorTraits·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a2b17b94ab2d9cd1346445d6e32009592">BALL::MoleculeIterator</a></td></tr>
92 Functions</h2></td></tr> 
93 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr> 
94 <tr·class="memitem:gaf917a1bc7e685f7ecd8acd6f901cf8d7"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gaf917a1bc7e685f7ecd8acd6f901cf8d7">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·TrianglePoint·&amp;point)</td></tr> 
95 <tr·class="separator:gaf917a1bc7e685f7ecd8acd6f901cf8d7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:a2b17b94ab2d9cd1346445d6e32009592"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 <tr·class="memitem:a0e74553a2c1747b4d4a9b8fce7d7a4ff"><td·class="memItemLeft"·align="right"·valign="top">typedef·ConstBidirectionalIterator&lt;·Composite,·Molecule,·Composite::CompositeIterator,·MoleculeIteratorTraits·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a0e74553a2c1747b4d4a9b8fce7d7a4ff">BALL::MoleculeConstIterator</a></td></tr>
 96 <tr·class="separator:a0e74553a2c1747b4d4a9b8fce7d7a4ff"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 <tr·class="memitem:a545c2f0bf35b9ce7ccf8c807a52f443f"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·MoleculeIterator·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a545c2f0bf35b9ce7ccf8c807a52f443f">BALL::MoleculeReverseIterator</a></td></tr>
 98 <tr·class="separator:a545c2f0bf35b9ce7ccf8c807a52f443f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 99 <tr·class="memitem:ab943daeddb30c327d528fd1e69e72c25"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·MoleculeConstIterator·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ab943daeddb30c327d528fd1e69e72c25">BALL::MoleculeConstReverseIterator</a></td></tr>
 100 <tr·class="separator:ab943daeddb30c327d528fd1e69e72c25"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table>101 </table>
97 </div><!--·contents·-->102 </div><!--·contents·-->
98 <!--·start·footer·part·-->103 <!--·start·footer·part·-->
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../d1/d95/a06703.html">List·of·all·members</a>··</div>71 <a·href="../../d1/d95/a06703.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::AStarBondOrderStrategy·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::AStarBondOrderStrategy·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d6/dfa/a00626_source.html">BALL/STRUCTURE/BONDORDERS/AStarBondOrderStrategy.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dd/d08/a01682_source.html">BALL/STRUCTURE/BONDORDERS/AStarBondOrderStrategy.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::AStarBondOrderStrategy:</div>77 Inheritance·diagram·for·BALL::AStarBondOrderStrategy:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d2/da4/a06706.png"·usemap="#BALL::AStarBondOrderStrategy_map"·alt=""/>80 ··<img·src="../../d2/da4/a06706.png"·usemap="#BALL::AStarBondOrderStrategy_map"·alt=""/>
81 ··<map·id="BALL::AStarBondOrderStrategy_map"·name="BALL::AStarBondOrderStrategy_map">81 ··<map·id="BALL::AStarBondOrderStrategy_map"·name="BALL::AStarBondOrderStrategy_map">
82 <area·href="../../da/d1a/a06726.html"·title="Base·class·for·bond·order·assignment·algorithms."·alt="BALL::BondOrderAssignmentStrategy"·shape="rect"·coords="0,0,259,24"/>82 <area·href="../../da/d1a/a06726.html"·title="Base·class·for·bond·order·assignment·algorithms."·alt="BALL::BondOrderAssignmentStrategy"·shape="rect"·coords="0,0,259,24"/>
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140 <tr·class="memdesc:aa427f3b20a4a069c6823048a3c374c89·inherit·pub_attribs_a06726"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Our·parent·processor.··<a·href="../../da/d1a/a06726.html#aa427f3b20a4a069c6823048a3c374c89">More...</a><br·/></td></tr>140 <tr·class="memdesc:aa427f3b20a4a069c6823048a3c374c89·inherit·pub_attribs_a06726"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Our·parent·processor.··<a·href="../../da/d1a/a06726.html#aa427f3b20a4a069c6823048a3c374c89">More...</a><br·/></td></tr>
141 <tr·class="separator:aa427f3b20a4a069c6823048a3c374c89·inherit·pub_attribs_a06726"><td·class="memSeparator"·colspan="2">&#160;</td></tr>141 <tr·class="separator:aa427f3b20a4a069c6823048a3c374c89·inherit·pub_attribs_a06726"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
142 </table>142 </table>
143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
144 <div·class="textblock"><p·>AStar·algorithm·for·bond·order·assignment.</p>144 <div·class="textblock"><p·>AStar·algorithm·for·bond·order·assignment.</p>
145 <p·>This·class·implements·an·AStar·approach·for·the·bond·order·assignment·problem·that·can·be·used·by·the·<a·class="el"·href="../../dd/da3/a06634.html">AssignBondOrderProcessor·</a>.·</p>145 <p·>This·class·implements·an·AStar·approach·for·the·bond·order·assignment·problem·that·can·be·used·by·the·<a·class="el"·href="../../dd/da3/a06634.html">AssignBondOrderProcessor·</a>.·</p>
  
146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfa/a00626_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d6/dfa/a00626_source.html">AStarBondOrderStrategy.h</a>.</p>146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">AStarBondOrderStrategy.h</a>.</p>
147 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>147 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
148 <a·id="a1877fcf99683528061dd5d8f25d7b226"·name="a1877fcf99683528061dd5d8f25d7b226"></a>148 <a·id="a1877fcf99683528061dd5d8f25d7b226"·name="a1877fcf99683528061dd5d8f25d7b226"></a>
149 <h2·class="memtitle"><span·class="permalink"><a·href="#a1877fcf99683528061dd5d8f25d7b226">&#9670;&nbsp;</a></span>AStarBondOrderStrategy()</h2>149 <h2·class="memtitle"><span·class="permalink"><a·href="#a1877fcf99683528061dd5d8f25d7b226">&#9670;&nbsp;</a></span>AStarBondOrderStrategy()</h2>
  
150 <div·class="memitem">150 <div·class="memitem">
151 <div·class="memproto">151 <div·class="memproto">
152 ······<table·class="memname">152 ······<table·class="memname">
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355 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>355 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
356 ··</tr>356 ··</tr>
357 </table>357 </table>
358 </div><div·class="memdoc">358 </div><div·class="memdoc">
  
359 <p>The·chosen·heuristic.·</p>359 <p>The·chosen·heuristic.·</p>
  
360 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfa/a00626_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d6/dfa/a00626_source.html">AStarBondOrderStrategy.h</a>.</p>360 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">AStarBondOrderStrategy.h</a>.</p>
  
361 </div>361 </div>
362 </div>362 </div>
363 <a·id="a964ae89cfd02bc835d92b01d406df325"·name="a964ae89cfd02bc835d92b01d406df325"></a>363 <a·id="a964ae89cfd02bc835d92b01d406df325"·name="a964ae89cfd02bc835d92b01d406df325"></a>
364 <h2·class="memtitle"><span·class="permalink"><a·href="#a964ae89cfd02bc835d92b01d406df325">&#9670;&nbsp;</a></span>queue_</h2>364 <h2·class="memtitle"><span·class="permalink"><a·href="#a964ae89cfd02bc835d92b01d406df325">&#9670;&nbsp;</a></span>queue_</h2>
  
365 <div·class="memitem">365 <div·class="memitem">
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379 ··</td>379 ··</td>
380 ··<td·class="mlabels-right">380 ··<td·class="mlabels-right">
381 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>381 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
382 ··</tr>382 ··</tr>
383 </table>383 </table>
384 </div><div·class="memdoc">384 </div><div·class="memdoc">
  
385 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfa/a00626_source.html#l00080">80</a>·of·file·<a·class="el"·href="../../d6/dfa/a00626_source.html">AStarBondOrderStrategy.h</a>.</p>385 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00080">80</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">AStarBondOrderStrategy.h</a>.</p>
  
386 </div>386 </div>
387 </div>387 </div>
388 <a·id="ac4ffb0a01f3871dbf92e338ed6b93ee3"·name="ac4ffb0a01f3871dbf92e338ed6b93ee3"></a>388 <a·id="ac4ffb0a01f3871dbf92e338ed6b93ee3"·name="ac4ffb0a01f3871dbf92e338ed6b93ee3"></a>
389 <h2·class="memtitle"><span·class="permalink"><a·href="#ac4ffb0a01f3871dbf92e338ed6b93ee3">&#9670;&nbsp;</a></span>step_</h2>389 <h2·class="memtitle"><span·class="permalink"><a·href="#ac4ffb0a01f3871dbf92e338ed6b93ee3">&#9670;&nbsp;</a></span>step_</h2>
  
390 <div·class="memitem">390 <div·class="memitem">
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405 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>405 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
406 ··</tr>406 ··</tr>
407 </table>407 </table>
408 </div><div·class="memdoc">408 </div><div·class="memdoc">
  
409 <p>The·priority·queue.·</p>409 <p>The·priority·queue.·</p>
  
410 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfa/a00626_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../d6/dfa/a00626_source.html">AStarBondOrderStrategy.h</a>.</p>410 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">AStarBondOrderStrategy.h</a>.</p>
  
411 </div>411 </div>
412 </div>412 </div>
413 </div><!--·contents·-->413 </div><!--·contents·-->
414 <!--·start·footer·part·-->414 <!--·start·footer·part·-->
415 <hr·class="footer"/><address·class="footer"><small>415 <hr·class="footer"/><address·class="footer"><small>
416 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4416 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 ··<div·class="headertitle"><div·class="title">BALL::SmartsParser::SPAtom::PropertyValue·Union·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SmartsParser::SPAtom::PropertyValue·Union·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p>possible·types·of·the·properties··75 <p>possible·types·of·the·properties··
76 ·<a·href="../../d2/da4/a07230.html#details">More...</a></p>76 ·<a·href="../../d2/da4/a07230.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d8/d73/a00674_source.html">BALL/STRUCTURE/smartsParser.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../df/d21/a01778_source.html">BALL/STRUCTURE/smartsParser.h</a>&gt;</code></p>
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84 <tr·class="separator:a1d50440175a073f1ef10ea0493e91153"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a1d50440175a073f1ef10ea0493e91153"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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90 <tr·class="separator:a8eea2507fc0661248f85e816b4dc39f4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a8eea2507fc0661248f85e816b4dc39f4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table>91 </table>
92 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>92 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
93 <div·class="textblock"><p·>possible·types·of·the·properties·</p>93 <div·class="textblock"><p·>possible·types·of·the·properties·</p>
  
94 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d73/a00674_source.html#l00213">213</a>·of·file·<a·class="el"·href="../../d8/d73/a00674_source.html">smartsParser.h</a>.</p>94 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00213">213</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
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103 ········</tr>103 ········</tr>
104 ······</table>104 ······</table>
105 </div><div·class="memdoc">105 </div><div·class="memdoc">
  
106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d73/a00674_source.html#l00216">216</a>·of·file·<a·class="el"·href="../../d8/d73/a00674_source.html">smartsParser.h</a>.</p>106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00216">216</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
  
107 </div>107 </div>
108 </div>108 </div>
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121 ········</tr>121 ········</tr>
122 ······</table>122 ······</table>
123 </div><div·class="memdoc">123 </div><div·class="memdoc">
  
124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d73/a00674_source.html#l00218">218</a>·of·file·<a·class="el"·href="../../d8/d73/a00674_source.html">smartsParser.h</a>.</p>124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00218">218</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
  
125 </div>125 </div>
126 </div>126 </div>
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128 <h2·class="memtitle"><span·class="permalink"><a·href="#acb6fa809d9f6078169ce49161b1fe235">&#9670;&nbsp;</a></span>element_value</h2>128 <h2·class="memtitle"><span·class="permalink"><a·href="#acb6fa809d9f6078169ce49161b1fe235">&#9670;&nbsp;</a></span>element_value</h2>
  
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136 ··········<td·class="memname">const·<a·class="el"·href="../../d9/d98/a04610.html">Element</a>*·BALL::SmartsParser::SPAtom::PropertyValue::element_value</td>136 ··········<td·class="memname">const·<a·class="el"·href="../../d9/d98/a04610.html">Element</a>*·BALL::SmartsParser::SPAtom::PropertyValue::element_value</td>
137 ········</tr>137 ········</tr>
138 ······</table>138 ······</table>
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140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d73/a00674_source.html#l00217">217</a>·of·file·<a·class="el"·href="../../d8/d73/a00674_source.html">smartsParser.h</a>.</p>140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00217">217</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
  
141 </div>141 </div>
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144 <h2·class="memtitle"><span·class="permalink"><a·href="#a6aeb54770a9ca2fe739dab7786680424">&#9670;&nbsp;</a></span>int_value</h2>144 <h2·class="memtitle"><span·class="permalink"><a·href="#a6aeb54770a9ca2fe739dab7786680424">&#9670;&nbsp;</a></span>int_value</h2>
  
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152 ··········<td·class="memname">int·BALL::SmartsParser::SPAtom::PropertyValue::int_value</td>152 ··········<td·class="memname">int·BALL::SmartsParser::SPAtom::PropertyValue::int_value</td>
153 ········</tr>153 ········</tr>
154 ······</table>154 ······</table>
155 </div><div·class="memdoc">155 </div><div·class="memdoc">
  
156 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d73/a00674_source.html#l00215">215</a>·of·file·<a·class="el"·href="../../d8/d73/a00674_source.html">smartsParser.h</a>.</p>156 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00215">215</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
  
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../d1/d56/a04163.html">List·of·all·members</a>··</div>71 <a·href="../../d1/d56/a04163.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordDBREF::InitialSequence·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordDBREF::InitialSequence·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a05a5ea652fd23e77a67dababc23154c2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dbb/a04166.html#a05a5ea652fd23e77a67dababc23154c2">number</a></td></tr>79 <tr·class="memitem:a05a5ea652fd23e77a67dababc23154c2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dbb/a04166.html#a05a5ea652fd23e77a67dababc23154c2">number</a></td></tr>
80 <tr·class="separator:a05a5ea652fd23e77a67dababc23154c2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a05a5ea652fd23e77a67dababc23154c2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:af5158a84aaa3087898316e746417d965"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#adbbd7264b79f49a28b6a256d54a803ba">AChar</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dbb/a04166.html#af5158a84aaa3087898316e746417d965">insertion_code</a></td></tr>81 <tr·class="memitem:af5158a84aaa3087898316e746417d965"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#adbbd7264b79f49a28b6a256d54a803ba">AChar</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dbb/a04166.html#af5158a84aaa3087898316e746417d965">insertion_code</a></td></tr>
82 <tr·class="separator:af5158a84aaa3087898316e746417d965"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:af5158a84aaa3087898316e746417d965"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock">85 <div·class="textblock">
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00591">591</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00591">591</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="af5158a84aaa3087898316e746417d965"·name="af5158a84aaa3087898316e746417d965"></a>88 <a·id="af5158a84aaa3087898316e746417d965"·name="af5158a84aaa3087898316e746417d965"></a>
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94 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#adbbd7264b79f49a28b6a256d54a803ba">AChar</a>·BALL::PDB::RecordDBREF::InitialSequence::insertion_code</td>94 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#adbbd7264b79f49a28b6a256d54a803ba">AChar</a>·BALL::PDB::RecordDBREF::InitialSequence::insertion_code</td>
95 ········</tr>95 ········</tr>
96 ······</table>96 ······</table>
97 </div><div·class="memdoc">97 </div><div·class="memdoc">
  
98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00594">594</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00594">594</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
99 </div>99 </div>
100 </div>100 </div>
101 <a·id="a05a5ea652fd23e77a67dababc23154c2"·name="a05a5ea652fd23e77a67dababc23154c2"></a>101 <a·id="a05a5ea652fd23e77a67dababc23154c2"·name="a05a5ea652fd23e77a67dababc23154c2"></a>
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103 <div·class="memitem">103 <div·class="memitem">
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112 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordDBREF::InitialSequence::number</td>112 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordDBREF::InitialSequence::number</td>
113 ········</tr>113 ········</tr>
114 ······</table>114 ······</table>
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73 <a·href="../../d4/d19/a05251.html">List·of·all·members</a>··</div>73 <a·href="../../d4/d19/a05251.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::MMFF94AtomTypeEquivalences·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::MMFF94AtomTypeEquivalences·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../df/d88/a00962_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../df/dc8/a00122_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::MMFF94AtomTypeEquivalences:</div>79 Inheritance·diagram·for·BALL::MMFF94AtomTypeEquivalences:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d2/dbd/a05254.png"·usemap="#BALL::MMFF94AtomTypeEquivalences_map"·alt=""/>82 ··<img·src="../../d2/dbd/a05254.png"·usemap="#BALL::MMFF94AtomTypeEquivalences_map"·alt=""/>
83 ··<map·id="BALL::MMFF94AtomTypeEquivalences_map"·name="BALL::MMFF94AtomTypeEquivalences_map">83 ··<map·id="BALL::MMFF94AtomTypeEquivalences_map"·name="BALL::MMFF94AtomTypeEquivalences_map">
84 <area·href="../../d8/de7/a05250.html"·alt="BALL::MMFF94ParametersBase"·shape="rect"·coords="0,0,232,24"/>84 <area·href="../../d8/de7/a05250.html"·alt="BALL::MMFF94ParametersBase"·shape="rect"·coords="0,0,232,24"/>
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141 <tr·class="separator:a84d92d3f781cbfdb13dfc7d7e6746a31·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>141 <tr·class="separator:a84d92d3f781cbfdb13dfc7d7e6746a31·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
142 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>142 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>
143 <tr·class="separator:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>143 <tr·class="separator:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
144 </table>144 </table>
145 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>145 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
146 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·equivalences·for·atom·types·(see·MMFFDEF.PAR)·</p>146 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·equivalences·for·atom·types·(see·MMFFDEF.PAR)·</p>
  
147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
148 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>148 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
149 <a·id="ae5bbeee33712ee997a95fcf15cf92fc5"·name="ae5bbeee33712ee997a95fcf15cf92fc5"></a>149 <a·id="ae5bbeee33712ee997a95fcf15cf92fc5"·name="ae5bbeee33712ee997a95fcf15cf92fc5"></a>
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311 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>311 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
312 ··</tr>312 ··</tr>
313 </table>313 </table>
314 </div><div·class="memdoc">314 </div><div·class="memdoc">
  
315 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00110">110</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>315 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00110">110</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
316 </div>316 </div>
317 </div>317 </div>
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320 <div·class="memitem">320 <div·class="memitem">
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333 ··</td>333 ··</td>
334 ··<td·class="mlabels-right">334 ··<td·class="mlabels-right">
335 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>335 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
336 ··</tr>336 ··</tr>
337 </table>337 </table>
338 </div><div·class="memdoc">338 </div><div·class="memdoc">
  
339 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00112">112</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>339 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00112">112</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
340 </div>340 </div>
341 </div>341 </div>
342 <a·id="a0721b641df596bb550e8a45de2bb99e4"·name="a0721b641df596bb550e8a45de2bb99e4"></a>342 <a·id="a0721b641df596bb550e8a45de2bb99e4"·name="a0721b641df596bb550e8a45de2bb99e4"></a>
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358 ··<td·class="mlabels-right">358 ··<td·class="mlabels-right">
359 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>359 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
360 ··</tr>360 ··</tr>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">scene.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">receptor.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dee/a00518_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../da/d20/a01160_source.html">BALL/VIEW/RENDERING/RENDERERS/glRenderer.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d0/df7/a20389_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d0/ddb/a00542_source.html">BALL/KERNEL/PDBAtom.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../db/d28/a01133_source.html">BALL/VIEW/RENDERING/renderWindow.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d0/dc8/a01124_source.html">BALL/VIEW/RENDERING/glRenderWindow.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../d9/d5b/a01127_source.html">BALL/VIEW/RENDERING/renderSetup.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;<a·class="el"·href="../../da/d79/a01310_source.html">BALL/VIEW/DIALOGS/editSettings.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
81 <code>#include·&lt;<a·class="el"·href="../../df/dd5/a01115_source.html">BALL/VIEW/KERNEL/editOperation.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../de/d1a/a01559_source.html">BALL/DOCKING/COMMON/conformation.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../da/daf/a01568_source.html">BALL/DOCKING/COMMON/flexibleMolecule.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/d71/a01055_source.html">BALL/VIEW/KERNEL/MODES/interactionModeManager.h</a>&gt;</code><br·/>79 <code>#include·&lt;<a·class="el"·href="../../d9/d1b/a01583_source.html">BALL/DOCKING/COMMON/flexDefinition.h</a>&gt;</code><br·/>
83 <code>#include·&lt;QtCore/QThread&gt;</code><br·/> 
84 <code>#include·&lt;QtCore/QTimer&gt;</code><br·/> 
85 <code>#include·&lt;QtGui/QDragEnterEvent&gt;</code><br·/> 
86 <code>#include·&lt;QtGui/QDropEvent&gt;</code><br·/> 
87 <code>#include·&lt;QtWidgets/QToolBar&gt;</code><br·/> 
88 <code>#include·&lt;QtGui/QFont&gt;</code><br·/> 
89 <code>#include·&lt;QtGui/QPicture&gt;</code><br·/> 
90 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/> 
91 </div>80 </div>
92 <p><a·href="../../d2/dc1/a01562_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../d2/dc1/a01562_source.html">Go·to·the·source·code·of·this·file.</a></p>
93 <table·class="memberdecls">82 <table·class="memberdecls">
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95 Classes</h2></td></tr>84 Classes</h2></td></tr>
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97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d71/a08530.html">BALL::VIEW::AnimationThread</a></td></tr> 
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101 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
102 Namespaces</h2></td></tr>89 Namespaces</h2></td></tr>
103 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
106 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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108 </div><!--·contents·-->93 </div><!--·contents·-->
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../d4/dda/a04611.html">List·of·all·members</a>··</div>71 <a·href="../../d4/dda/a04611.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PTE_·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PTE_·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d93/a00341_source.html">BALL/KERNEL/PTE.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/de5/a00503_source.html">BALL/KERNEL/PTE.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
78 Classes</h2></td></tr>78 Classes</h2></td></tr>
79 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d9a/a04618.html">SymbolToElement</a></td></tr>79 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d9a/a04618.html">SymbolToElement</a></td></tr>
80 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 </table><table·class="memberdecls">81 </table><table·class="memberdecls">
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
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125 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Application·methods</h2></td></tr>125 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Application·methods</h2></td></tr>
126 <tr·class="memitem:af6c286f0b8383c003d54326fcfa63568"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dc4/a04614.html#af6c286f0b8383c003d54326fcfa63568">apply</a>·(<a·class="el"·href="../../d2/db9/a03334.html">UnaryProcessor</a>&lt;·<a·class="el"·href="../../d9/d98/a04610.html">Element</a>·&gt;·&amp;applicator)</td></tr>126 <tr·class="memitem:af6c286f0b8383c003d54326fcfa63568"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dc4/a04614.html#af6c286f0b8383c003d54326fcfa63568">apply</a>·(<a·class="el"·href="../../d2/db9/a03334.html">UnaryProcessor</a>&lt;·<a·class="el"·href="../../d9/d98/a04610.html">Element</a>·&gt;·&amp;applicator)</td></tr>
127 <tr·class="separator:af6c286f0b8383c003d54326fcfa63568"><td·class="memSeparator"·colspan="2">&#160;</td></tr>127 <tr·class="separator:af6c286f0b8383c003d54326fcfa63568"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
128 </table>128 </table>
129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
130 <div·class="textblock"><p·>Periodic·Table·of·Elements·Class·</p>130 <div·class="textblock"><p·>Periodic·Table·of·Elements·Class·</p>
  
131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d93/a00341_source.html#l00651">651</a>·of·file·<a·class="el"·href="../../d3/d93/a00341_source.html">PTE.h</a>.</p>131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/de5/a00503_source.html#l00651">651</a>·of·file·<a·class="el"·href="../../d4/de5/a00503_source.html">PTE.h</a>.</p>
132 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>132 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
133 <a·id="a6daa8cd5843a756ddeec88482675b170"·name="a6daa8cd5843a756ddeec88482675b170"></a>133 <a·id="a6daa8cd5843a756ddeec88482675b170"·name="a6daa8cd5843a756ddeec88482675b170"></a>
134 <h2·class="memtitle"><span·class="permalink"><a·href="#a6daa8cd5843a756ddeec88482675b170">&#9670;&nbsp;</a></span>PTE_()·<span·class="overload">[1/2]</span></h2>134 <h2·class="memtitle"><span·class="permalink"><a·href="#a6daa8cd5843a756ddeec88482675b170">&#9670;&nbsp;</a></span>PTE_()·<span·class="overload">[1/2]</span></h2>
  
135 <div·class="memitem">135 <div·class="memitem">
136 <div·class="memproto">136 <div·class="memproto">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d0/dcf/a05131.html">List·of·all·members</a>··</div>71 <a·href="../../d0/dcf/a05131.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::TypeRuleProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d4/d63/a02173.html">Rule-based·parameter·assignment</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TypeRuleProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d4/d63/a02173.html">Rule-based·parameter·assignment</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../da/d5b/a00905_source.html">BALL/MOLMEC/COMMON/typeRuleProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/MOLMEC/COMMON/typeRuleProcessor.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::TypeRuleProcessor:</div>77 Inheritance·diagram·for·BALL::TypeRuleProcessor:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d2/dc4/a05134.png"·usemap="#BALL::TypeRuleProcessor_map"·alt=""/>80 ··<img·src="../../d2/dc4/a05134.png"·usemap="#BALL::TypeRuleProcessor_map"·alt=""/>
81 ··<map·id="BALL::TypeRuleProcessor_map"·name="BALL::TypeRuleProcessor_map">81 ··<map·id="BALL::TypeRuleProcessor_map"·name="BALL::TypeRuleProcessor_map">
82 <area·href="../../d1/ddb/a05106.html"·alt="BALL::RuleProcessor"·shape="rect"·coords="0,112,286,136"/>82 <area·href="../../d1/ddb/a05106.html"·alt="BALL::RuleProcessor"·shape="rect"·coords="0,112,286,136"/>
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156 <tr·class="separator:a6b407f3e2cbcec8c2d319bb1a2ca86e0·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>156 <tr·class="separator:a6b407f3e2cbcec8c2d319bb1a2ca86e0·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
157 <tr·class="memitem:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/ddb/a05106.html#a229397c3d49a8b6d9a6b5d3583f5f6b5">valid_</a></td></tr>157 <tr·class="memitem:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/ddb/a05106.html#a229397c3d49a8b6d9a6b5d3583f5f6b5">valid_</a></td></tr>
158 <tr·class="separator:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>158 <tr·class="separator:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
159 </table>159 </table>
160 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>160 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
161 <div·class="textblock"><p·>Type·Rule·<a·class="el"·href="../../de/d93/a03330.html">Processor</a>.·</p>161 <div·class="textblock"><p·>Type·Rule·<a·class="el"·href="../../de/d93/a03330.html">Processor</a>.·</p>
  
162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d5b/a00905_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../da/d5b/a00905_source.html">typeRuleProcessor.h</a>.</p>162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">typeRuleProcessor.h</a>.</p>
163 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>163 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
164 <a·id="a731ee0a26bbee1854cdf0393f7cb986c"·name="a731ee0a26bbee1854cdf0393f7cb986c"></a>164 <a·id="a731ee0a26bbee1854cdf0393f7cb986c"·name="a731ee0a26bbee1854cdf0393f7cb986c"></a>
165 <h2·class="memtitle"><span·class="permalink"><a·href="#a731ee0a26bbee1854cdf0393f7cb986c">&#9670;&nbsp;</a></span>TypeRuleProcessor()·<span·class="overload">[1/3]</span></h2>165 <h2·class="memtitle"><span·class="permalink"><a·href="#a731ee0a26bbee1854cdf0393f7cb986c">&#9670;&nbsp;</a></span>TypeRuleProcessor()·<span·class="overload">[1/3]</span></h2>
  
166 <div·class="memitem">166 <div·class="memitem">
167 <div·class="memproto">167 <div·class="memproto">
168 ······<table·class="memname">168 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d5/de9/a06835.html">List·of·all·members</a>··</div>71 <a·href="../../d5/de9/a06835.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ClearChargeProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ClearChargeProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00578_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/d18/a01850_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::ClearChargeProcessor:</div>77 Inheritance·diagram·for·BALL::ClearChargeProcessor:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d2/dc7/a06838.png"·usemap="#BALL::ClearChargeProcessor_map"·alt=""/>80 ··<img·src="../../d2/dc7/a06838.png"·usemap="#BALL::ClearChargeProcessor_map"·alt=""/>
81 ··<map·id="BALL::ClearChargeProcessor_map"·name="BALL::ClearChargeProcessor_map">81 ··<map·id="BALL::ClearChargeProcessor_map"·name="BALL::ClearChargeProcessor_map">
82 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>82 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>
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117 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>117 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
118 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>118 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
119 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Clears·the·charge·on·all·atoms·</p>122 <div·class="textblock"><p·>Clears·the·charge·on·all·atoms·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5c/a00578_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../dd/d5c/a00578_source.html">defaultProcessors.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d18/a01850_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../da/d18/a01850_source.html">defaultProcessors.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
125 <a·id="a082ec12d5e07adb41d63d9ea5d1189dc"·name="a082ec12d5e07adb41d63d9ea5d1189dc"></a>125 <a·id="a082ec12d5e07adb41d63d9ea5d1189dc"·name="a082ec12d5e07adb41d63d9ea5d1189dc"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a082ec12d5e07adb41d63d9ea5d1189dc">&#9670;&nbsp;</a></span>operator()()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a082ec12d5e07adb41d63d9ea5d1189dc">&#9670;&nbsp;</a></span>operator()()</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
128 <div·class="memproto">128 <div·class="memproto">
129 <table·class="mlabels">129 <table·class="mlabels">
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8 <title>BALL:·scoringComponent.h·File·Reference</title>8 <title>BALL:·cubicSpline1D.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_a7dfdbc559f1e3def0943b68d93d2e00.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">scoringComponent.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">cubicSpline1D.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;set&gt;</code><br·/>
 75 <code>#include·&lt;map&gt;</code><br·/>
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../d3/d1a/a00251_source.html">BALL/SCORING/COMMON/baseFunction.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
78 </div>78 </div>
79 <p><a·href="../../d2/dc8/a00242_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d2/dc8/a00242_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">80 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>82 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d56/a04790.html">BALL::CubicSpline1D</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table><table·class="memberdecls">85 </table><table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
87 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;70 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;
71 <a·href="../../d0/dfb/a03999.html">List·of·all·members</a>··</div>71 <a·href="../../d0/dfb/a03999.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::MolFileFactory·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::MolFileFactory·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../df/dc8/a00122_source.html">BALL/FORMAT/molFileFactory.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d7b/a00986_source.html">BALL/FORMAT/molFileFactory.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>
78 Static·Public·Member·Functions</h2></td></tr>78 Static·Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:a56883b1710f00fbf1942483774d373a5"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dce/a04002.html#a56883b1710f00fbf1942483774d373a5">getSupportedFormats</a>·()</td></tr>79 <tr·class="memitem:a56883b1710f00fbf1942483774d373a5"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dce/a04002.html#a56883b1710f00fbf1942483774d373a5">getSupportedFormats</a>·()</td></tr>
80 <tr·class="separator:a56883b1710f00fbf1942483774d373a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a56883b1710f00fbf1942483774d373a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a60dda39e055cb9361e150f07a3d11c90"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dce/a04002.html#a60dda39e055cb9361e150f07a3d11c90">isFileExtensionSupported</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·filename)</td></tr>81 <tr·class="memitem:a60dda39e055cb9361e150f07a3d11c90"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dce/a04002.html#a60dda39e055cb9361e150f07a3d11c90">isFileExtensionSupported</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·filename)</td></tr>
82 <tr·class="separator:a60dda39e055cb9361e150f07a3d11c90"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a60dda39e055cb9361e150f07a3d11c90"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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87 <tr·class="separator:a028b434142aa15b143fdc65bd00e0a1a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a028b434142aa15b143fdc65bd00e0a1a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:ae74e52709e70659dda71ad53e2648e0c"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d0/d0b/a03910.html">GenericMolFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dce/a04002.html#ae74e52709e70659dda71ad53e2648e0c">open</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;name,·<a·class="el"·href="../../db/d42/a07350.html#a4fb423dfe14c17429117b4e38162ab64">File::OpenMode</a>·open_mode,·<a·class="el"·href="../../d0/d0b/a03910.html">GenericMolFile</a>·*default_format_file)</td></tr>88 <tr·class="memitem:ae74e52709e70659dda71ad53e2648e0c"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d0/d0b/a03910.html">GenericMolFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dce/a04002.html#ae74e52709e70659dda71ad53e2648e0c">open</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;name,·<a·class="el"·href="../../db/d42/a07350.html#a4fb423dfe14c17429117b4e38162ab64">File::OpenMode</a>·open_mode,·<a·class="el"·href="../../d0/d0b/a03910.html">GenericMolFile</a>·*default_format_file)</td></tr>
89 <tr·class="separator:ae74e52709e70659dda71ad53e2648e0c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ae74e52709e70659dda71ad53e2648e0c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p·>This·class·offers·a·factory·method·that·given·a·path·to·a·molecule·file·determines·the·file·type·based·on·the·file·extension·and·returns·a·pointer·to·an·appropriate·subclass·of·<a·class="el"·href="../../d0/d0b/a03910.html">GenericMolFile</a>·</p>92 <div·class="textblock"><p·>This·class·offers·a·factory·method·that·given·a·path·to·a·molecule·file·determines·the·file·type·based·on·the·file·extension·and·returns·a·pointer·to·an·appropriate·subclass·of·<a·class="el"·href="../../d0/d0b/a03910.html">GenericMolFile</a>·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">molFileFactory.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d7b/a00986_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d3/d7b/a00986_source.html">molFileFactory.h</a>.</p>
94 </div><h2·class="groupheader">Member·Function·Documentation</h2>94 </div><h2·class="groupheader">Member·Function·Documentation</h2>
95 <a·id="a56883b1710f00fbf1942483774d373a5"·name="a56883b1710f00fbf1942483774d373a5"></a>95 <a·id="a56883b1710f00fbf1942483774d373a5"·name="a56883b1710f00fbf1942483774d373a5"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a56883b1710f00fbf1942483774d373a5">&#9670;&nbsp;</a></span>getSupportedFormats()</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a56883b1710f00fbf1942483774d373a5">&#9670;&nbsp;</a></span>getSupportedFormats()</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 <table·class="mlabels">99 <table·class="mlabels">
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71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
73 <a·href="../../db/d15/a07911.html">List·of·all·members</a>··</div>73 <a·href="../../db/d15/a07911.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PickingMode·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PickingMode·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d0/d22/a01049_source.html">BALL/VIEW/KERNEL/MODES/pickingMode.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d1/dd8/a01022_source.html">BALL/VIEW/KERNEL/MODES/pickingMode.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::VIEW::PickingMode:</div>79 Inheritance·diagram·for·BALL::VIEW::PickingMode:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d2/dd7/a07914.png"·usemap="#BALL::VIEW::PickingMode_map"·alt=""/>82 ··<img·src="../../d2/dd7/a07914.png"·usemap="#BALL::VIEW::PickingMode_map"·alt=""/>
83 ··<map·id="BALL::VIEW::PickingMode_map"·name="BALL::VIEW::PickingMode_map">83 ··<map·id="BALL::VIEW::PickingMode_map"·name="BALL::VIEW::PickingMode_map">
84 <area·href="../../d0/d9f/a07902.html"·alt="BALL::VIEW::InteractionMode"·shape="rect"·coords="0,56,177,80"/>84 <area·href="../../d0/d9f/a07902.html"·alt="BALL::VIEW::InteractionMode"·shape="rect"·coords="0,56,177,80"/>
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204 <tr·class="separator:a75116b4028f01c27bb5baa88ca236d2e·inherit·signals_a07902"><td·class="memSeparator"·colspan="2">&#160;</td></tr>204 <tr·class="separator:a75116b4028f01c27bb5baa88ca236d2e·inherit·signals_a07902"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
205 <tr·class="inherit_header·pro_slots_a07902"><td·colspan="2"·onclick="javascript:toggleInherit('pro_slots_a07902')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Slots·inherited·from·<a·class="el"·href="../../d0/d9f/a07902.html">BALL::VIEW::InteractionMode</a></td></tr>205 <tr·class="inherit_header·pro_slots_a07902"><td·colspan="2"·onclick="javascript:toggleInherit('pro_slots_a07902')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Slots·inherited·from·<a·class="el"·href="../../d0/d9f/a07902.html">BALL::VIEW::InteractionMode</a></td></tr>
206 <tr·class="memitem:a04a9a2983ad1fda1c12bc886ee4afb23·inherit·pro_slots_a07902"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d9f/a07902.html#a04a9a2983ad1fda1c12bc886ee4afb23">modeChangeSlot_</a>·()</td></tr>206 <tr·class="memitem:a04a9a2983ad1fda1c12bc886ee4afb23·inherit·pro_slots_a07902"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d9f/a07902.html#a04a9a2983ad1fda1c12bc886ee4afb23">modeChangeSlot_</a>·()</td></tr>
207 <tr·class="separator:a04a9a2983ad1fda1c12bc886ee4afb23·inherit·pro_slots_a07902"><td·class="memSeparator"·colspan="2">&#160;</td></tr>207 <tr·class="separator:a04a9a2983ad1fda1c12bc886ee4afb23·inherit·pro_slots_a07902"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
208 </table>208 </table>
209 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>209 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
210 <div·class="textblock">210 <div·class="textblock">
211 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d22/a01049_source.html#l00011">11</a>·of·file·<a·class="el"·href="../../d0/d22/a01049_source.html">pickingMode.h</a>.</p>211 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dd8/a01022_source.html#l00011">11</a>·of·file·<a·class="el"·href="../../d1/dd8/a01022_source.html">pickingMode.h</a>.</p>
212 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>212 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
213 <a·id="aefa621db640efb89b1e217a98869528b"·name="aefa621db640efb89b1e217a98869528b"></a>213 <a·id="aefa621db640efb89b1e217a98869528b"·name="aefa621db640efb89b1e217a98869528b"></a>
214 <h2·class="memtitle"><span·class="permalink"><a·href="#aefa621db640efb89b1e217a98869528b">&#9670;&nbsp;</a></span>PickingMode()</h2>214 <h2·class="memtitle"><span·class="permalink"><a·href="#aefa621db640efb89b1e217a98869528b">&#9670;&nbsp;</a></span>PickingMode()</h2>
  
215 <div·class="memitem">215 <div·class="memitem">
216 <div·class="memproto">216 <div·class="memproto">
217 ······<table·class="memname">217 ······<table·class="memname">
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331 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>331 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
332 ··</tr>332 ··</tr>
333 </table>333 </table>
334 </div><div·class="memdoc">334 </div><div·class="memdoc">
  
335 <p>Implements·<a·class="el"·href="../../d0/d9f/a07902.html#aa6a86daf896a4764b74aabb305d0ba45">BALL::VIEW::InteractionMode</a>.</p>335 <p>Implements·<a·class="el"·href="../../d0/d9f/a07902.html#aa6a86daf896a4764b74aabb305d0ba45">BALL::VIEW::InteractionMode</a>.</p>
  
336 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d22/a01049_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d0/d22/a01049_source.html">pickingMode.h</a>.</p>336 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dd8/a01022_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d1/dd8/a01022_source.html">pickingMode.h</a>.</p>
  
337 </div>337 </div>
338 </div>338 </div>
339 <a·id="ab634d04bb660824d756cc1bc24f0ce68"·name="ab634d04bb660824d756cc1bc24f0ce68"></a>339 <a·id="ab634d04bb660824d756cc1bc24f0ce68"·name="ab634d04bb660824d756cc1bc24f0ce68"></a>
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572 </table>572 </table>
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578 <h2·class="memtitle"><span·class="permalink"><a·href="#a1b906fc47549ad843c7404aeb105f2e6">&#9670;&nbsp;</a></span>pick_select_</h2>578 <h2·class="memtitle"><span·class="permalink"><a·href="#a1b906fc47549ad843c7404aeb105f2e6">&#9670;&nbsp;</a></span>pick_select_</h2>
  
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592 ··</td>592 ··</td>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">logP.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">MPISupport.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d4a/a00758_source.html">BALL/STRUCTURE/molecularSimilarity.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;iostream&gt;</code><br·/>
 79 <code>#include·&lt;mpi.h&gt;</code><br·/>
76 </div>80 </div>
77 <p><a·href="../../d2/ddd/a00755_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../d2/ddd/a00755_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">82 <table·class="memberdecls">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../d7/d51/a06999.html">List·of·all·members</a>··</div>72 <a·href="../../d7/d51/a06999.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::Peptides::AminoAcidDescriptor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../d5/dbb/a02193.html">Creation·of·peptides</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::Peptides::AminoAcidDescriptor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../d5/dbb/a02193.html">Creation·of·peptides</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../df/d9e/a00686_source.html">BALL/STRUCTURE/peptideBuilder.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d6/dbd/a01829_source.html">BALL/STRUCTURE/peptideBuilder.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
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79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a291c28374476b95f7a6f06566fb0d275"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/ddf/a07002.html#a291c28374476b95f7a6f06566fb0d275">AminoAcidDescriptor</a>·()</td></tr>80 <tr·class="memitem:a291c28374476b95f7a6f06566fb0d275"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/ddf/a07002.html#a291c28374476b95f7a6f06566fb0d275">AminoAcidDescriptor</a>·()</td></tr>
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83 <tr·class="separator:ad87f7890634d03c9868aabdab85254a0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:ad87f7890634d03c9868aabdab85254a0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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114 <tr·class="separator:af8cc72af6fa0c92899cdc3d5cf92aebc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>114 <tr·class="separator:af8cc72af6fa0c92899cdc3d5cf92aebc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
115 <tr·class="memitem:a917c91256cfbdc06cd452ad35229e7c8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#abe00df7bff3fb5d8b94673ac63190601">Angle</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/ddf/a07002.html#a917c91256cfbdc06cd452ad35229e7c8">omega_</a></td></tr>115 <tr·class="memitem:a917c91256cfbdc06cd452ad35229e7c8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#abe00df7bff3fb5d8b94673ac63190601">Angle</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/ddf/a07002.html#a917c91256cfbdc06cd452ad35229e7c8">omega_</a></td></tr>
116 <tr·class="separator:a917c91256cfbdc06cd452ad35229e7c8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>116 <tr·class="separator:a917c91256cfbdc06cd452ad35229e7c8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
117 </table>117 </table>
118 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>118 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
119 <div·class="textblock"><p·>This·class·represents·one·amino·acid·in·the·sequence.·</p>119 <div·class="textblock"><p·>This·class·represents·one·amino·acid·in·the·sequence.·</p>
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d9e/a00686_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../df/d9e/a00686_source.html">peptideBuilder.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dbd/a01829_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d6/dbd/a01829_source.html">peptideBuilder.h</a>.</p>
121 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>121 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
122 <a·id="a291c28374476b95f7a6f06566fb0d275"·name="a291c28374476b95f7a6f06566fb0d275"></a>122 <a·id="a291c28374476b95f7a6f06566fb0d275"·name="a291c28374476b95f7a6f06566fb0d275"></a>
123 <h2·class="memtitle"><span·class="permalink"><a·href="#a291c28374476b95f7a6f06566fb0d275">&#9670;&nbsp;</a></span>AminoAcidDescriptor()·<span·class="overload">[1/3]</span></h2>123 <h2·class="memtitle"><span·class="permalink"><a·href="#a291c28374476b95f7a6f06566fb0d275">&#9670;&nbsp;</a></span>AminoAcidDescriptor()·<span·class="overload">[1/3]</span></h2>
  
124 <div·class="memitem">124 <div·class="memitem">
125 <div·class="memproto">125 <div·class="memproto">
126 ······<table·class="memname">126 ······<table·class="memname">
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392 ··</td>392 ··</td>
393 ··<td·class="mlabels-right">393 ··<td·class="mlabels-right">
394 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>394 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
395 ··</tr>395 ··</tr>
396 </table>396 </table>
397 </div><div·class="memdoc">397 </div><div·class="memdoc">
  
398 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d9e/a00686_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../df/d9e/a00686_source.html">peptideBuilder.h</a>.</p>398 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dbd/a01829_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../d6/dbd/a01829_source.html">peptideBuilder.h</a>.</p>
  
399 </div>399 </div>
400 </div>400 </div>
401 <a·id="a061b253d92d91ae2796c4d4e026a3290"·name="a061b253d92d91ae2796c4d4e026a3290"></a>401 <a·id="a061b253d92d91ae2796c4d4e026a3290"·name="a061b253d92d91ae2796c4d4e026a3290"></a>
402 <h2·class="memtitle"><span·class="permalink"><a·href="#a061b253d92d91ae2796c4d4e026a3290">&#9670;&nbsp;</a></span>phi_</h2>402 <h2·class="memtitle"><span·class="permalink"><a·href="#a061b253d92d91ae2796c4d4e026a3290">&#9670;&nbsp;</a></span>phi_</h2>
  
403 <div·class="memitem">403 <div·class="memitem">
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416 ··</td>416 ··</td>
417 ··<td·class="mlabels-right">417 ··<td·class="mlabels-right">
418 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>418 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
419 ··</tr>419 ··</tr>
420 </table>420 </table>
421 </div><div·class="memdoc">421 </div><div·class="memdoc">
  
422 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d9e/a00686_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../df/d9e/a00686_source.html">peptideBuilder.h</a>.</p>422 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dbd/a01829_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../d6/dbd/a01829_source.html">peptideBuilder.h</a>.</p>
  
423 </div>423 </div>
424 </div>424 </div>
425 <a·id="af8cc72af6fa0c92899cdc3d5cf92aebc"·name="af8cc72af6fa0c92899cdc3d5cf92aebc"></a>425 <a·id="af8cc72af6fa0c92899cdc3d5cf92aebc"·name="af8cc72af6fa0c92899cdc3d5cf92aebc"></a>
426 <h2·class="memtitle"><span·class="permalink"><a·href="#af8cc72af6fa0c92899cdc3d5cf92aebc">&#9670;&nbsp;</a></span>psi_</h2>426 <h2·class="memtitle"><span·class="permalink"><a·href="#af8cc72af6fa0c92899cdc3d5cf92aebc">&#9670;&nbsp;</a></span>psi_</h2>
  
427 <div·class="memitem">427 <div·class="memitem">
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440 ··</td>440 ··</td>
441 ··<td·class="mlabels-right">441 ··<td·class="mlabels-right">
442 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>442 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
443 ··</tr>443 ··</tr>
444 </table>444 </table>
445 </div><div·class="memdoc">445 </div><div·class="memdoc">
  
446 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d9e/a00686_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../df/d9e/a00686_source.html">peptideBuilder.h</a>.</p>446 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dbd/a01829_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../d6/dbd/a01829_source.html">peptideBuilder.h</a>.</p>
  
447 </div>447 </div>
448 </div>448 </div>
449 <a·id="ad4ad8014196b9e1001f3ee1415f45c19"·name="ad4ad8014196b9e1001f3ee1415f45c19"></a>449 <a·id="ad4ad8014196b9e1001f3ee1415f45c19"·name="ad4ad8014196b9e1001f3ee1415f45c19"></a>
450 <h2·class="memtitle"><span·class="permalink"><a·href="#ad4ad8014196b9e1001f3ee1415f45c19">&#9670;&nbsp;</a></span>type_</h2>450 <h2·class="memtitle"><span·class="permalink"><a·href="#ad4ad8014196b9e1001f3ee1415f45c19">&#9670;&nbsp;</a></span>type_</h2>
  
451 <div·class="memitem">451 <div·class="memitem">
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464 ··</td>464 ··</td>
465 ··<td·class="mlabels-right">465 ··<td·class="mlabels-right">
466 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>466 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
467 ··</tr>467 ··</tr>
468 </table>468 </table>
469 </div><div·class="memdoc">469 </div><div·class="memdoc">
  
470 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d9e/a00686_source.html#l00082">82</a>·of·file·<a·class="el"·href="../../df/d9e/a00686_source.html">peptideBuilder.h</a>.</p>470 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dbd/a01829_source.html#l00082">82</a>·of·file·<a·class="el"·href="../../d6/dbd/a01829_source.html">peptideBuilder.h</a>.</p>
  
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474 <!--·start·footer·part·-->474 <!--·start·footer·part·-->
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476 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4476 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d4/dcf/a07311.html">List·of·all·members</a>··</div>70 <a·href="../../d4/dcf/a07311.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::TriangulatedSES·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::TriangulatedSES·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d8/dc8/a00581_source.html">BALL/STRUCTURE/triangulatedSES.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d9/d63/a01877_source.html">BALL/STRUCTURE/triangulatedSES.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::TriangulatedSES:</div>76 Inheritance·diagram·for·BALL::TriangulatedSES:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d2/de5/a07314.png"·usemap="#BALL::TriangulatedSES_map"·alt=""/>79 ··<img·src="../../d2/de5/a07314.png"·usemap="#BALL::TriangulatedSES_map"·alt=""/>
80 ··<map·id="BALL::TriangulatedSES_map"·name="BALL::TriangulatedSES_map">80 ··<map·id="BALL::TriangulatedSES_map"·name="BALL::TriangulatedSES_map">
81 <area·href="../../d5/d6f/a07322.html"·alt="BALL::TriangulatedSurface"·shape="rect"·coords="0,0,164,24"/>81 <area·href="../../d5/d6f/a07322.html"·alt="BALL::TriangulatedSurface"·shape="rect"·coords="0,0,164,24"/>
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249 <tr·class="separator:a195049c060dc7a7ba550c95564ef1d13·inherit·pro_attribs_a07322"><td·class="memSeparator"·colspan="2">&#160;</td></tr>249 <tr·class="separator:a195049c060dc7a7ba550c95564ef1d13·inherit·pro_attribs_a07322"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
250 <tr·class="memitem:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6f/a07322.html#a2b3bca766e09149b94f1e3c0534c125f">density_</a></td></tr>250 <tr·class="memitem:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6f/a07322.html#a2b3bca766e09149b94f1e3c0534c125f">density_</a></td></tr>
251 <tr·class="separator:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"><td·class="memSeparator"·colspan="2">&#160;</td></tr>251 <tr·class="separator:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
252 </table>252 </table>
253 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>253 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
254 <div·class="textblock"><p·>Generic·<a·class="el"·href="../../d2/de5/a07314.html">TriangulatedSES</a>·Class.·&lt;&gt;·</p>254 <div·class="textblock"><p·>Generic·<a·class="el"·href="../../d2/de5/a07314.html">TriangulatedSES</a>·Class.·&lt;&gt;·</p>
  
255 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dc8/a00581_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d8/dc8/a00581_source.html">triangulatedSES.h</a>.</p>255 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d63/a01877_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d9/d63/a01877_source.html">triangulatedSES.h</a>.</p>
256 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>256 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
257 <a·id="afeaae9823cb49d916165b14ce345b370"·name="afeaae9823cb49d916165b14ce345b370"></a>257 <a·id="afeaae9823cb49d916165b14ce345b370"·name="afeaae9823cb49d916165b14ce345b370"></a>
258 <h2·class="memtitle"><span·class="permalink"><a·href="#afeaae9823cb49d916165b14ce345b370">&#9670;&nbsp;</a></span>TriangulatedSES()·<span·class="overload">[1/3]</span></h2>258 <h2·class="memtitle"><span·class="permalink"><a·href="#afeaae9823cb49d916165b14ce345b370">&#9670;&nbsp;</a></span>TriangulatedSES()·<span·class="overload">[1/3]</span></h2>
  
259 <div·class="memitem">259 <div·class="memitem">
260 <div·class="memproto">260 <div·class="memproto">
261 ······<table·class="memname">261 ······<table·class="memname">
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507 ··</td>507 ··</td>
508 ··<td·class="mlabels-right">508 ··<td·class="mlabels-right">
509 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>509 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
510 ··</tr>510 ··</tr>
511 </table>511 </table>
512 </div><div·class="memdoc">512 </div><div·class="memdoc">
  
513 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dc8/a00581_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d8/dc8/a00581_source.html">triangulatedSES.h</a>.</p>513 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d63/a01877_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d9/d63/a01877_source.html">triangulatedSES.h</a>.</p>
  
514 </div>514 </div>
515 </div>515 </div>
516 <h2·class="groupheader">Member·Data·Documentation</h2>516 <h2·class="groupheader">Member·Data·Documentation</h2>
517 <a·id="abbc415967b94c8c14a8c00cd5b1e1c47"·name="abbc415967b94c8c14a8c00cd5b1e1c47"></a>517 <a·id="abbc415967b94c8c14a8c00cd5b1e1c47"·name="abbc415967b94c8c14a8c00cd5b1e1c47"></a>
518 <h2·class="memtitle"><span·class="permalink"><a·href="#abbc415967b94c8c14a8c00cd5b1e1c47">&#9670;&nbsp;</a></span>density_</h2>518 <h2·class="memtitle"><span·class="permalink"><a·href="#abbc415967b94c8c14a8c00cd5b1e1c47">&#9670;&nbsp;</a></span>density_</h2>
  
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532 ··</td>532 ··</td>
533 ··<td·class="mlabels-right">533 ··<td·class="mlabels-right">
534 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>534 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
535 ··</tr>535 ··</tr>
536 </table>536 </table>
537 </div><div·class="memdoc">537 </div><div·class="memdoc">
  
538 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dc8/a00581_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../d8/dc8/a00581_source.html">triangulatedSES.h</a>.</p>538 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d63/a01877_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../d9/d63/a01877_source.html">triangulatedSES.h</a>.</p>
  
539 </div>539 </div>
540 </div>540 </div>
541 <a·id="a4bb3d592463d02e9ca9ce5fe1b857b1d"·name="a4bb3d592463d02e9ca9ce5fe1b857b1d"></a>541 <a·id="a4bb3d592463d02e9ca9ce5fe1b857b1d"·name="a4bb3d592463d02e9ca9ce5fe1b857b1d"></a>
542 <h2·class="memtitle"><span·class="permalink"><a·href="#a4bb3d592463d02e9ca9ce5fe1b857b1d">&#9670;&nbsp;</a></span>ses_</h2>542 <h2·class="memtitle"><span·class="permalink"><a·href="#a4bb3d592463d02e9ca9ce5fe1b857b1d">&#9670;&nbsp;</a></span>ses_</h2>
  
543 <div·class="memitem">543 <div·class="memitem">
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556 ··</td>556 ··</td>
557 ··<td·class="mlabels-right">557 ··<td·class="mlabels-right">
558 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>558 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
559 ··</tr>559 ··</tr>
560 </table>560 </table>
561 </div><div·class="memdoc">561 </div><div·class="memdoc">
  
562 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dc8/a00581_source.html#l00147">147</a>·of·file·<a·class="el"·href="../../d8/dc8/a00581_source.html">triangulatedSES.h</a>.</p>562 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d63/a01877_source.html#l00147">147</a>·of·file·<a·class="el"·href="../../d9/d63/a01877_source.html">triangulatedSES.h</a>.</p>
  
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564 </div>564 </div>
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77 <p><a·href="../../d2/de7/a00014_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d2/de7/a00014_source.html">Go·to·the·source·code·of·this·file.</a></p>
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72 </div><!--header-->72 </div><!--header-->
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74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d00/a00401_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>
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78 <code>#include·&lt;vector&gt;</code><br·/> 
79 </div>77 </div>
80 <p><a·href="../../d2/dea/a02057_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d2/dea/a02057_source.html">Go·to·the·source·code·of·this·file.</a></p>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">connectionObject.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">helpViewer.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/def/a01016_source.html">BALL/COMMON/macros.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d67/a01070_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/>
75 <code>#include·&lt;BALL/VIEW/KERNEL/connectionObject.iC&gt;</code><br·/>75 <code>#include·&lt;QtWidgets/QTextBrowser&gt;</code><br·/>
76 </div>76 </div>
77 <p><a·href="../../d2/df3/a01085_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d2/df3/a01085_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>80 Classes</h2></td></tr>
 81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df7/a08402.html">BALL::VIEW::MyTextBrowser</a></td></tr>
 82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d43/a07798.html">BALL::VIEW::ConnectionObject</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d8f/a08406.html">BALL::VIEW::HelpViewer</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table><table·class="memberdecls">85 </table><table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
85 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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72 ··<div·class="headertitle"><div·class="title">BALL::GAMESSDatFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::GAMESSDatFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dd/d32/a00041_source.html">BALL/FORMAT/GAMESSDatFile.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d3/de5/a00956_source.html">BALL/FORMAT/GAMESSDatFile.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::GAMESSDatFile:</div>77 Inheritance·diagram·for·BALL::GAMESSDatFile:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d2/df3/a03890.png"·usemap="#BALL::GAMESSDatFile_map"·alt=""/>80 ··<img·src="../../d2/df3/a03890.png"·usemap="#BALL::GAMESSDatFile_map"·alt=""/>
81 ··<map·id="BALL::GAMESSDatFile_map"·name="BALL::GAMESSDatFile_map">81 ··<map·id="BALL::GAMESSDatFile_map"·name="BALL::GAMESSDatFile_map">
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Offset 422, 15 lines modifiedOffset 422, 15 lines modified
422 <tr·class="separator:aa2e31799b270990fd18ca981b68229be·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>422 <tr·class="separator:aa2e31799b270990fd18ca981b68229be·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
423 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>423 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>
424 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>424 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
425 </table>425 </table>
426 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>426 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
427 <div·class="textblock"><p·>GAMESSDat·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·input·and·output·.dat·files·for·the·GAMESS·quantum·chemistry·application.·</p>427 <div·class="textblock"><p·>GAMESSDat·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·input·and·output·.dat·files·for·the·GAMESS·quantum·chemistry·application.·</p>
  
428 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d32/a00041_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../dd/d32/a00041_source.html">GAMESSDatFile.h</a>.</p>428 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">GAMESSDatFile.h</a>.</p>
429 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>429 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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431 <h2·class="memtitle"><span·class="permalink"><a·href="#ad2a153b0f9191789d7bb4ab54f2850c5">&#9670;&nbsp;</a></span>GAMESSDatFile()·<span·class="overload">[1/2]</span></h2>431 <h2·class="memtitle"><span·class="permalink"><a·href="#ad2a153b0f9191789d7bb4ab54f2850c5">&#9670;&nbsp;</a></span>GAMESSDatFile()·<span·class="overload">[1/2]</span></h2>
  
432 <div·class="memitem">432 <div·class="memitem">
433 <div·class="memproto">433 <div·class="memproto">
434 ······<table·class="memname">434 ······<table·class="memname">
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967 ··</td>967 ··</td>
968 ··<td·class="mlabels-right">968 ··<td·class="mlabels-right">
969 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>969 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
970 ··</tr>970 ··</tr>
971 </table>971 </table>
972 </div><div·class="memdoc">972 </div><div·class="memdoc">
  
973 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d32/a00041_source.html#l00143">143</a>·of·file·<a·class="el"·href="../../dd/d32/a00041_source.html">GAMESSDatFile.h</a>.</p>973 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00143">143</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">GAMESSDatFile.h</a>.</p>
  
974 </div>974 </div>
975 </div>975 </div>
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978 <div·class="memitem">978 <div·class="memitem">
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991 ··</td>991 ··</td>
992 ··<td·class="mlabels-right">992 ··<td·class="mlabels-right">
993 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>993 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
994 ··</tr>994 ··</tr>
995 </table>995 </table>
996 </div><div·class="memdoc">996 </div><div·class="memdoc">
  
997 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d32/a00041_source.html#l00142">142</a>·of·file·<a·class="el"·href="../../dd/d32/a00041_source.html">GAMESSDatFile.h</a>.</p>997 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00142">142</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">GAMESSDatFile.h</a>.</p>
  
998 </div>998 </div>
999 </div>999 </div>
1000 <a·id="a7d4a5924fd0f813284d15d38a3524a5b"·name="a7d4a5924fd0f813284d15d38a3524a5b"></a>1000 <a·id="a7d4a5924fd0f813284d15d38a3524a5b"·name="a7d4a5924fd0f813284d15d38a3524a5b"></a>
1001 <h2·class="memtitle"><span·class="permalink"><a·href="#a7d4a5924fd0f813284d15d38a3524a5b">&#9670;&nbsp;</a></span>molecule_</h2>1001 <h2·class="memtitle"><span·class="permalink"><a·href="#a7d4a5924fd0f813284d15d38a3524a5b">&#9670;&nbsp;</a></span>molecule_</h2>
  
1002 <div·class="memitem">1002 <div·class="memitem">
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1015 ··</td>1015 ··</td>
1016 ··<td·class="mlabels-right">1016 ··<td·class="mlabels-right">
1017 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>1017 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
1018 ··</tr>1018 ··</tr>
1019 </table>1019 </table>
1020 </div><div·class="memdoc">1020 </div><div·class="memdoc">
  
1021 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d32/a00041_source.html#l00140">140</a>·of·file·<a·class="el"·href="../../dd/d32/a00041_source.html">GAMESSDatFile.h</a>.</p>1021 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00140">140</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">GAMESSDatFile.h</a>.</p>
  
1022 </div>1022 </div>
1023 </div>1023 </div>
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1026 <div·class="memitem">1026 <div·class="memitem">
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1039 ··</td>1039 ··</td>
1040 ··<td·class="mlabels-right">1040 ··<td·class="mlabels-right">
1041 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>1041 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
1042 ··</tr>1042 ··</tr>
1043 </table>1043 </table>
1044 </div><div·class="memdoc">1044 </div><div·class="memdoc">
  
1045 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d32/a00041_source.html#l00135">135</a>·of·file·<a·class="el"·href="../../dd/d32/a00041_source.html">GAMESSDatFile.h</a>.</p>1045 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00135">135</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">GAMESSDatFile.h</a>.</p>
  
1046 </div>1046 </div>
1047 </div>1047 </div>
1048 <a·id="a4e863018fc02f82747f6948ac6142ae9"·name="a4e863018fc02f82747f6948ac6142ae9"></a>1048 <a·id="a4e863018fc02f82747f6948ac6142ae9"·name="a4e863018fc02f82747f6948ac6142ae9"></a>
1049 <h2·class="memtitle"><span·class="permalink"><a·href="#a4e863018fc02f82747f6948ac6142ae9">&#9670;&nbsp;</a></span>symmetry_group_</h2>1049 <h2·class="memtitle"><span·class="permalink"><a·href="#a4e863018fc02f82747f6948ac6142ae9">&#9670;&nbsp;</a></span>symmetry_group_</h2>
  
1050 <div·class="memitem">1050 <div·class="memitem">
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1063 ··</td>1063 ··</td>
1064 ··<td·class="mlabels-right">1064 ··<td·class="mlabels-right">
1065 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>1065 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
1066 ··</tr>1066 ··</tr>
1067 </table>1067 </table>
1068 </div><div·class="memdoc">1068 </div><div·class="memdoc">
  
1069 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d32/a00041_source.html#l00144">144</a>·of·file·<a·class="el"·href="../../dd/d32/a00041_source.html">GAMESSDatFile.h</a>.</p>1069 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00144">144</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">GAMESSDatFile.h</a>.</p>
  
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_bdf615705158bdb9ef48f1578bccfd92.html">PYTHON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">pyInterpreter.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">charmmEEF1.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/daf/a01736_source.html">BALL/SYSTEM/path.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d7/dce/a00143_source.html">BALL/PYTHON/pyKernel.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../de/d76/a00134_source.html">BALL/PYTHON/pyServer.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d9/db6/a00146_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>
77 <code>#include·&lt;memory&gt;</code><br·/> 
78 <code>#include·&lt;vector&gt;</code><br·/> 
79 <code>#include·&lt;QtCore/QList&gt;</code><br·/> 
80 <code>#include·&lt;QtCore/QPair&gt;</code><br·/> 
81 <code>#include·&lt;QtCore/QString&gt;</code><br·/> 
82 </div>76 </div>
83 <p><a·href="../../d2/df5/a00137_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d2/df5/a00137_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">78 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>80 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/da8/a05582.html">BALL::PyInterpreter</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d30/a05346.html">BALL::CharmmEEF1</a></td></tr>
 82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d24/a05350.html">BALL::CharmmEEF1::Values</a></td></tr>
 84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da3/a05354.html">BALL::CharmmEEF1::Data</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">87 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
91 Namespaces</h2></td></tr>89 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d5/ddb/a06459.html">List·of·all·members</a>··</div>70 <a·href="../../d5/ddb/a06459.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::ClaverieParameter·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::ClaverieParameter·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d0/d79/a01766_source.html">BALL/SOLVATION/claverieParameter.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d5/d31/a01931_source.html">BALL/SOLVATION/claverieParameter.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::ClaverieParameter:</div>76 Inheritance·diagram·for·BALL::ClaverieParameter:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d2/df6/a06462.png"·usemap="#BALL::ClaverieParameter_map"·alt=""/>79 ··<img·src="../../d2/df6/a06462.png"·usemap="#BALL::ClaverieParameter_map"·alt=""/>
80 ··<map·id="BALL::ClaverieParameter_map"·name="BALL::ClaverieParameter_map">80 ··<map·id="BALL::ClaverieParameter_map"·name="BALL::ClaverieParameter_map">
81 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,155,24"/>81 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,155,24"/>
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187 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>187 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
188 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>188 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>
189 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>189 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
190 </table>190 </table>
191 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>191 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
192 <div·class="textblock"><p·><a·class="el"·href="../../d2/df6/a06462.html">ClaverieParameter</a>·class.·This·class·provides·the·parameters·needed·for·the·computation·of·van-der-Waals·interaction·energies·according·to·the·scheme·by·Huron·and·Claverie.·[missing:·units,·reference].·<b>Note:</b>·Dispersion·and·repulsion·terms·are·<b>not</b>·distinguished.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>192 <div·class="textblock"><p·><a·class="el"·href="../../d2/df6/a06462.html">ClaverieParameter</a>·class.·This·class·provides·the·parameters·needed·for·the·computation·of·van-der-Waals·interaction·energies·according·to·the·scheme·by·Huron·and·Claverie.·[missing:·units,·reference].·<b>Note:</b>·Dispersion·and·repulsion·terms·are·<b>not</b>·distinguished.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>
  
193 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d79/a01766_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d0/d79/a01766_source.html">claverieParameter.h</a>.</p>193 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d31/a01931_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d5/d31/a01931_source.html">claverieParameter.h</a>.</p>
194 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>194 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
195 <a·id="a2f5d8caaefba4e71f266d27c5294ccd4"·name="a2f5d8caaefba4e71f266d27c5294ccd4"></a>195 <a·id="a2f5d8caaefba4e71f266d27c5294ccd4"·name="a2f5d8caaefba4e71f266d27c5294ccd4"></a>
196 <h2·class="memtitle"><span·class="permalink"><a·href="#a2f5d8caaefba4e71f266d27c5294ccd4">&#9670;&nbsp;</a></span>ClaverieParameter()·<span·class="overload">[1/3]</span></h2>196 <h2·class="memtitle"><span·class="permalink"><a·href="#a2f5d8caaefba4e71f266d27c5294ccd4">&#9670;&nbsp;</a></span>ClaverieParameter()·<span·class="overload">[1/3]</span></h2>
  
197 <div·class="memitem">197 <div·class="memitem">
198 <div·class="memproto">198 <div·class="memproto">
199 ······<table·class="memname">199 ······<table·class="memname">
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509 ··</td>509 ··</td>
510 ··<td·class="mlabels-right">510 ··<td·class="mlabels-right">
511 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>511 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
512 ··</tr>512 ··</tr>
513 </table>513 </table>
514 </div><div·class="memdoc">514 </div><div·class="memdoc">
  
515 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d79/a01766_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../d0/d79/a01766_source.html">claverieParameter.h</a>.</p>515 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d31/a01931_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../d5/d31/a01931_source.html">claverieParameter.h</a>.</p>
  
516 </div>516 </div>
517 </div>517 </div>
518 <a·id="ac6eced97af1768fbefaf0736e6dbadb1"·name="ac6eced97af1768fbefaf0736e6dbadb1"></a>518 <a·id="ac6eced97af1768fbefaf0736e6dbadb1"·name="ac6eced97af1768fbefaf0736e6dbadb1"></a>
519 <h2·class="memtitle"><span·class="permalink"><a·href="#ac6eced97af1768fbefaf0736e6dbadb1">&#9670;&nbsp;</a></span>parameters_</h2>519 <h2·class="memtitle"><span·class="permalink"><a·href="#ac6eced97af1768fbefaf0736e6dbadb1">&#9670;&nbsp;</a></span>parameters_</h2>
  
520 <div·class="memitem">520 <div·class="memitem">
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533 ··</td>533 ··</td>
534 ··<td·class="mlabels-right">534 ··<td·class="mlabels-right">
535 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>535 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
536 ··</tr>536 ··</tr>
537 </table>537 </table>
538 </div><div·class="memdoc">538 </div><div·class="memdoc">
  
539 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d79/a01766_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../d0/d79/a01766_source.html">claverieParameter.h</a>.</p>539 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d31/a01931_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../d5/d31/a01931_source.html">claverieParameter.h</a>.</p>
  
540 </div>540 </div>
541 </div>541 </div>
542 </div><!--·contents·-->542 </div><!--·contents·-->
543 <!--·start·footer·part·-->543 <!--·start·footer·part·-->
544 <hr·class="footer"/><address·class="footer"><small>544 <hr·class="footer"/><address·class="footer"><small>
545 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4545 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../db/d39/a05023.html">List·of·all·members</a>··</div>70 <a·href="../../db/d39/a05023.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::CharmmBend·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d1e/a02171.html">CHARMM·Force·Field.</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::CharmmBend·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d1e/a02171.html">CHARMM·Force·Field.</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../dc/d1b/a00827_source.html">BALL/MOLMEC/CHARMM/charmmBend.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../dc/dee/a00053_source.html">BALL/MOLMEC/CHARMM/charmmBend.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::CharmmBend:</div>76 Inheritance·diagram·for·BALL::CharmmBend:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d2/df7/a05026.png"·usemap="#BALL::CharmmBend_map"·alt=""/>79 ··<img·src="../../d2/df7/a05026.png"·usemap="#BALL::CharmmBend_map"·alt=""/>
80 ··<map·id="BALL::CharmmBend_map"·name="BALL::CharmmBend_map">80 ··<map·id="BALL::CharmmBend_map"·name="BALL::CharmmBend_map">
81 <area·href="../../d7/dc7/a05066.html"·alt="BALL::BendComponent"·shape="rect"·coords="0,112,174,136"/>81 <area·href="../../d7/dc7/a05066.html"·alt="BALL::BendComponent"·shape="rect"·coords="0,112,174,136"/>
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231 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>231 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
232 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>232 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
233 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>233 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
234 </table>234 </table>
235 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>235 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
236 <div·class="textblock"><p·>Charmm·bond·stretch·component·</p>236 <div·class="textblock"><p·>Charmm·bond·stretch·component·</p>
  
237 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d1b/a00827_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../dc/d1b/a00827_source.html">charmmBend.h</a>.</p>237 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a00053_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../dc/dee/a00053_source.html">charmmBend.h</a>.</p>
238 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>238 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
239 <a·id="a7da566eba5f2d18a5dfac9d99b383a38"·name="a7da566eba5f2d18a5dfac9d99b383a38"></a>239 <a·id="a7da566eba5f2d18a5dfac9d99b383a38"·name="a7da566eba5f2d18a5dfac9d99b383a38"></a>
240 <h2·class="memtitle"><span·class="permalink"><a·href="#a7da566eba5f2d18a5dfac9d99b383a38">&#9670;&nbsp;</a></span>CharmmBend()·<span·class="overload">[1/2]</span></h2>240 <h2·class="memtitle"><span·class="permalink"><a·href="#a7da566eba5f2d18a5dfac9d99b383a38">&#9670;&nbsp;</a></span>CharmmBend()·<span·class="overload">[1/2]</span></h2>
  
241 <div·class="memitem">241 <div·class="memitem">
242 <div·class="memproto">242 <div·class="memproto">
243 ······<table·class="memname">243 ······<table·class="memname">
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91 <h2·class="memtitle"><span·class="permalink"><a·href="#ac1b9b508f56e2b2455902b7abf1f2838">&#9670;&nbsp;</a></span>record_name</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#ac1b9b508f56e2b2455902b7abf1f2838">&#9670;&nbsp;</a></span>record_name</h2>
  
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">SASFace.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">XDRPersistenceManager.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d3b/a00728_source.html">BALL/STRUCTURE/graphFace.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d11/a00842_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/d09/a01838_source.html">BALL/MATHS/sphere3.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;list&gt;</code><br·/>75 <code>#include·&lt;rpc/types.h&gt;</code><br·/>
 76 <code>#include·&lt;rpc/xdr.h&gt;</code><br·/>
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78 <p><a·href="../../d3/d00/a00785_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d3/d00/a00785_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">79 <table·class="memberdecls">
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71 <a·href="../../d2/de1/a05687.html">List·of·all·members</a>··</div>71 <a·href="../../d2/de1/a05687.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::WrongDataType·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::WrongDataType·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/d51/a20335_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::QSAR::Exception::WrongDataType:</div>77 Inheritance·diagram·for·BALL::QSAR::Exception::WrongDataType:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d3/d04/a05690.png"·usemap="#BALL::QSAR::Exception::WrongDataType_map"·alt=""/>80 ··<img·src="../../d3/d04/a05690.png"·usemap="#BALL::QSAR::Exception::WrongDataType_map"·alt=""/>
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134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>Wrong·type·of·input·data·for·a·model,·e.g.·non-discrete·y-values·for·a·classification·model·</p>136 <div·class="textblock"><p·>Wrong·type·of·input·data·for·a·model,·e.g.·non-discrete·y-values·for·a·classification·model·</p>
  
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139 <a·id="a9b3873494ac192f9246e99fa54181966"·name="a9b3873494ac192f9246e99fa54181966"></a>139 <a·id="a9b3873494ac192f9246e99fa54181966"·name="a9b3873494ac192f9246e99fa54181966"></a>
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">MMScoring.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">pyDatasetVector.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dd7/a00260_source.html">BALL/SCORING/COMMON/diffScoringFunction.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../dc/d92/a00929_source.html">BALL/MOLMEC/AMBER/amber.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d8/d4e/a01355_source.html">BALL/VIEW/DATATYPE/dataset.h</a>&gt;</code><br·/>
76 </div>76 </div>
77 <p><a·href="../../d3/d07/a00305_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d3/d07/a00305_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
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85 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">VIEWPlugin.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">clippingDialog.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
75 <code>#include·&lt;QtCore/QString&gt;</code><br·/> 
76 <code>#include·&lt;QtCore/QtPlugin&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d9/dce/a01052_source.html">BALL/VIEW/KERNEL/clippingPlane.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;BALL/VIEW/UIC/ui_clippingDialog.h&gt;</code><br·/>
77 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>77 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>
78 </div>78 </div>
79 <p><a·href="../../d3/d07/a01241_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d3/d07/a01241_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">80 <table·class="memberdecls">
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89 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
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8 <title>BALL:·gridVisualizationDialog.h·File·Reference</title>8 <title>BALL:·contourSurfaceDialog.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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65 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>65 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
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71 <a·href="#namespaces">Namespaces</a>··</div>71 <a·href="#namespaces">Namespaces</a>··</div>
72 ··<div·class="headertitle"><div·class="title">gridVisualizationDialog.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">contourSurfaceDialog.h·File·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d2/d21/a01484_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../db/d29/a01895_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../dc/d47/a01487_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;BALL/VIEW/UIC/ui_gridVisualizationDialog.h&gt;</code><br·/>77 <code>#include·&lt;BALL/VIEW/UIC/ui_contourSurfaceDialog.h&gt;</code><br·/>
80 </div>78 </div>
81 <p><a·href="../../d3/d07/a01301_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d3/d07/a01301_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls">80 <table·class="memberdecls">
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90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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71 <a·href="../../d6/da8/a08227.html">List·of·all·members</a>··</div>71 <a·href="../../d6/da8/a08227.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLDisplayList::NoDisplayListAvailable·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLDisplayList::NoDisplayListAvailable·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dd/de4/a01121_source.html">BALL/VIEW/RENDERING/glDisplayList.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d8/d7b/a01478_source.html">BALL/VIEW/RENDERING/glDisplayList.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
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78 <div·class="dyncontent">78 <div·class="dyncontent">
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81 ··<map·id="BALL::VIEW::GLDisplayList::NoDisplayListAvailable_map"·name="BALL::VIEW::GLDisplayList::NoDisplayListAvailable_map">81 ··<map·id="BALL::VIEW::GLDisplayList::NoDisplayListAvailable_map"·name="BALL::VIEW::GLDisplayList::NoDisplayListAvailable_map">
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135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·><a·class="el"·href="../../d3/d07/a08230.html">NoDisplayListAvailable</a>·exception·class.·This·exception·will·be·thrown·when·a·display·list·should·be·internally·allocated·but·there·is·no·more·memory·available.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html#a398de7f7a5d657c9a635f52d13a38c6d"·title="Default·constructor.">GeneralException</a>·<br··/>136 <div·class="textblock"><p·><a·class="el"·href="../../d3/d07/a08230.html">NoDisplayListAvailable</a>·exception·class.·This·exception·will·be·thrown·when·a·display·list·should·be·internally·allocated·but·there·is·no·more·memory·available.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html#a398de7f7a5d657c9a635f52d13a38c6d"·title="Default·constructor.">GeneralException</a>·<br··/>
137 ·</dd></dl>137 ·</dd></dl>
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de4/a01121_source.html#l00080">80</a>·of·file·<a·class="el"·href="../../dd/de4/a01121_source.html">glDisplayList.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d7b/a01478_source.html#l00080">80</a>·of·file·<a·class="el"·href="../../d8/d7b/a01478_source.html">glDisplayList.h</a>.</p>
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71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::OPLSModel·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::OPLSModel·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d9/da1/a01976_source.html">BALL/QSAR/oplsModel.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d5/db5/a00374_source.html">BALL/QSAR/oplsModel.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::QSAR::OPLSModel:</div>76 Inheritance·diagram·for·BALL::QSAR::OPLSModel:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d3/d09/a05790.png"·usemap="#BALL::QSAR::OPLSModel_map"·alt=""/>79 ··<img·src="../../d3/d09/a05790.png"·usemap="#BALL::QSAR::OPLSModel_map"·alt=""/>
80 ··<map·id="BALL::QSAR::OPLSModel_map"·name="BALL::QSAR::OPLSModel_map">80 ··<map·id="BALL::QSAR::OPLSModel_map"·name="BALL::QSAR::OPLSModel_map">
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283 <tr·class="memitem:affba7da7e8ca3ee211a86c4d08774796·inherit·pro_attribs_a05746"><td·class="memItemLeft"·align="right"·valign="top">Eigen::MatrixXd&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d16/a05746.html#affba7da7e8ca3ee211a86c4d08774796">weights_</a></td></tr>283 <tr·class="memitem:affba7da7e8ca3ee211a86c4d08774796·inherit·pro_attribs_a05746"><td·class="memItemLeft"·align="right"·valign="top">Eigen::MatrixXd&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d16/a05746.html#affba7da7e8ca3ee211a86c4d08774796">weights_</a></td></tr>
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285 </table>285 </table>
286 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>286 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
287 <div·class="textblock">287 <div·class="textblock">
288 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/da1/a01976_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d9/da1/a01976_source.html">oplsModel.h</a>.</p>288 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db5/a00374_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d5/db5/a00374_source.html">oplsModel.h</a>.</p>
289 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>289 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c87a3f409bf7b467c2853acf63d5429e.html">INPUT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">headTrackingEvent.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">materialSettings.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;QtCore/QEvent&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d3/d53/a01262_source.html">BALL/VIEW/INPUT/deviceEvent.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d4/d29/a01817_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/>76 <code>#include·&lt;BALL/VIEW/UIC/ui_materialSettings.h&gt;</code><br·/>
 77 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/>
 78 <code>#include·&lt;QtWidgets/QLabel&gt;</code><br·/>
78 </div>79 </div>
79 <p><a·href="../../d3/d0b/a01253_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../d3/d0b/a01253_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">81 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table><table·class="memberdecls">86 </table><table·class="memberdecls">
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87 Namespaces</h2></td></tr>88 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>91 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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72 ··<div·class="headertitle"><div·class="title">BALL::TRegularData2D&lt;·ValueType·&gt;::BlockValueType·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TRegularData2D&lt;·ValueType·&gt;::BlockValueType·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p>The·block·data·type·for·reading·and·writing·binary·data.··75 <p>The·block·data·type·for·reading·and·writing·binary·data.··
76 ·<a·href="../../d3/d11/a03582.html#details">More...</a></p>76 ·<a·href="../../d3/d11/a03582.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../de/da9/a01934_source.html">BALL/DATATYPE/regularData2D.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d8/d13/a00671_source.html">BALL/DATATYPE/regularData2D.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
80 Public·Attributes</h2></td></tr>80 Public·Attributes</h2></td></tr>
81 <tr·class="memitem:ad8cd9e66150b641825a45b11f8c5ba4c"><td·class="memItemLeft"·align="right"·valign="top">ValueType&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d11/a03582.html#ad8cd9e66150b641825a45b11f8c5ba4c">bt</a>·[1024]</td></tr>81 <tr·class="memitem:ad8cd9e66150b641825a45b11f8c5ba4c"><td·class="memItemLeft"·align="right"·valign="top">ValueType&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d11/a03582.html#ad8cd9e66150b641825a45b11f8c5ba4c">bt</a>·[1024]</td></tr>
82 <tr·class="separator:ad8cd9e66150b641825a45b11f8c5ba4c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:ad8cd9e66150b641825a45b11f8c5ba4c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·ValueType&gt;<br·/>85 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·ValueType&gt;<br·/>
86 struct·BALL::TRegularData2D&lt;·ValueType·&gt;::BlockValueType</div><p·>The·block·data·type·for·reading·and·writing·binary·data.·</p>86 struct·BALL::TRegularData2D&lt;·ValueType·&gt;::BlockValueType</div><p·>The·block·data·type·for·reading·and·writing·binary·data.·</p>
  
87 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/da9/a01934_source.html#l00409">409</a>·of·file·<a·class="el"·href="../../de/da9/a01934_source.html">regularData2D.h</a>.</p>87 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d13/a00671_source.html#l00409">409</a>·of·file·<a·class="el"·href="../../d8/d13/a00671_source.html">regularData2D.h</a>.</p>
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90 <h2·class="memtitle"><span·class="permalink"><a·href="#ad8cd9e66150b641825a45b11f8c5ba4c">&#9670;&nbsp;</a></span>bt</h2>90 <h2·class="memtitle"><span·class="permalink"><a·href="#ad8cd9e66150b641825a45b11f8c5ba4c">&#9670;&nbsp;</a></span>bt</h2>
  
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103 ······</table>103 ······</table>
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72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
73 <a·href="../../d9/d7c/a07707.html">List·of·all·members</a>··</div>73 <a·href="../../d9/d7c/a07707.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PythonSettings·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PythonSettings·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/VIEW/DIALOGS/pythonSettings.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d4/d34/a01298_source.html">BALL/VIEW/DIALOGS/pythonSettings.h</a>&gt;</code></p>
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80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d3/d12/a07710.png"·usemap="#BALL::VIEW::PythonSettings_map"·alt=""/>82 ··<img·src="../../d3/d12/a07710.png"·usemap="#BALL::VIEW::PythonSettings_map"·alt=""/>
83 ··<map·id="BALL::VIEW::PythonSettings_map"·name="BALL::VIEW::PythonSettings_map">83 ··<map·id="BALL::VIEW::PythonSettings_map"·name="BALL::VIEW::PythonSettings_map">
84 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,186,24"/>84 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,186,24"/>
Offset 216, 15 lines modifiedOffset 216, 15 lines modified
216 <tr·class="separator:a089d33c2c39ac3be343d5e28a2774905·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>216 <tr·class="separator:a089d33c2c39ac3be343d5e28a2774905·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
217 <tr·class="memitem:aa8e5f05e5566b3a53dc64e67ae33dac1·inherit·pro_methods_a07926"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#aa8e5f05e5566b3a53dc64e67ae33dac1">setValue_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*widget,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;value)</td></tr>217 <tr·class="memitem:aa8e5f05e5566b3a53dc64e67ae33dac1·inherit·pro_methods_a07926"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#aa8e5f05e5566b3a53dc64e67ae33dac1">setValue_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*widget,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;value)</td></tr>
218 <tr·class="separator:aa8e5f05e5566b3a53dc64e67ae33dac1·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>218 <tr·class="separator:aa8e5f05e5566b3a53dc64e67ae33dac1·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
219 </table>219 </table>
220 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>220 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
221 <div·class="textblock"><p·>Dialog·for·setting·the·Python·preferences.·Currently·only·a·startup·script·can·be·selected,·that·will·be·called,·when·the·application·has·loaded·and·a·<a·class="el"·href="../../d2/d7f/a08514.html">PyWidget</a>·instance·is·added.·</p>221 <div·class="textblock"><p·>Dialog·for·setting·the·Python·preferences.·Currently·only·a·startup·script·can·be·selected,·that·will·be·called,·when·the·application·has·loaded·and·a·<a·class="el"·href="../../d2/d7f/a08514.html">PyWidget</a>·instance·is·added.·</p>
  
222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a01340_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d7/d51/a01340_source.html">pythonSettings.h</a>.</p>222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d34/a01298_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d4/d34/a01298_source.html">pythonSettings.h</a>.</p>
223 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>223 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
224 <a·id="a316f5b7b654fe45d14eeb1f2ea9e17dd"·name="a316f5b7b654fe45d14eeb1f2ea9e17dd"></a>224 <a·id="a316f5b7b654fe45d14eeb1f2ea9e17dd"·name="a316f5b7b654fe45d14eeb1f2ea9e17dd"></a>
225 <h2·class="memtitle"><span·class="permalink"><a·href="#a316f5b7b654fe45d14eeb1f2ea9e17dd">&#9670;&nbsp;</a></span>PythonSettings()</h2>225 <h2·class="memtitle"><span·class="permalink"><a·href="#a316f5b7b654fe45d14eeb1f2ea9e17dd">&#9670;&nbsp;</a></span>PythonSettings()</h2>
  
226 <div·class="memitem">226 <div·class="memitem">
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228 ······<table·class="memname">228 ······<table·class="memname">
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274 ··</tr>274 ··</tr>
275 </table>275 </table>
276 </div><div·class="memdoc">276 </div><div·class="memdoc">
  
277 <p>Destructor.·</p>277 <p>Destructor.·</p>
  
278 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a01340_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d7/d51/a01340_source.html">pythonSettings.h</a>.</p>278 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d34/a01298_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d4/d34/a01298_source.html">pythonSettings.h</a>.</p>
  
279 </div>279 </div>
280 </div>280 </div>
281 <h2·class="groupheader">Member·Function·Documentation</h2>281 <h2·class="groupheader">Member·Function·Documentation</h2>
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283 <h2·class="memtitle"><span·class="permalink"><a·href="#a6318440308825f6ae67a40772788f607">&#9670;&nbsp;</a></span>clearStartupScript</h2>283 <h2·class="memtitle"><span·class="permalink"><a·href="#a6318440308825f6ae67a40772788f607">&#9670;&nbsp;</a></span>clearStartupScript</h2>
  
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370 ··</td>370 ··</td>
371 ··<td·class="mlabels-right">371 ··<td·class="mlabels-right">
372 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>372 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
373 ··</tr>373 ··</tr>
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376 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a01340_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d7/d51/a01340_source.html">pythonSettings.h</a>.</p>376 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d34/a01298_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d4/d34/a01298_source.html">pythonSettings.h</a>.</p>
  
377 </div>377 </div>
378 </div>378 </div>
379 <a·id="a59c742747d402f0fcfc3eec88cb2b4a6"·name="a59c742747d402f0fcfc3eec88cb2b4a6"></a>379 <a·id="a59c742747d402f0fcfc3eec88cb2b4a6"·name="a59c742747d402f0fcfc3eec88cb2b4a6"></a>
380 <h2·class="memtitle"><span·class="permalink"><a·href="#a59c742747d402f0fcfc3eec88cb2b4a6">&#9670;&nbsp;</a></span>getFilename()</h2>380 <h2·class="memtitle"><span·class="permalink"><a·href="#a59c742747d402f0fcfc3eec88cb2b4a6">&#9670;&nbsp;</a></span>getFilename()</h2>
  
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562 ··</td>562 ··</td>
563 ··<td·class="mlabels-right">563 ··<td·class="mlabels-right">
564 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>564 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
565 ··</tr>565 ··</tr>
566 </table>566 </table>
567 </div><div·class="memdoc">567 </div><div·class="memdoc">
  
568 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a01340_source.html#l00086">86</a>·of·file·<a·class="el"·href="../../d7/d51/a01340_source.html">pythonSettings.h</a>.</p>568 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d34/a01298_source.html#l00086">86</a>·of·file·<a·class="el"·href="../../d4/d34/a01298_source.html">pythonSettings.h</a>.</p>
  
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8 <title>BALL:·charmmNonBonded.h·File·Reference</title>8 <title>BALL:·forwardIterator.h·File·Reference</title>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_8cdbfb4bef7508ff4809ac8ed890f379.html">CHARMM</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#define-members">Macros</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">charmmNonBonded.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">forwardIterator.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/CONCEPT/baseIterator.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d6/d8b/a00821_source.html">BALL/MOLMEC/PARAMETER/lennardJones.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/MOLMEC/PARAMETER/potential1210.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d5/d72/a00803_source.html">BALL/MOLMEC/PARAMETER/charmmEEF1.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../dc/d17/a00872_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;<a·class="el"·href="../../d3/dd1/a00914_source.html">BALL/MOLMEC/COMMON/support.h</a>&gt;</code><br·/> 
81 </div>75 </div>
82 <p><a·href="../../d3/d13/a00836_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d3/d13/a00836_source.html">Go·to·the·source·code·of·this·file.</a></p>
83 <table·class="memberdecls">77 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
85 Classes</h2></td></tr>79 Classes</h2></td></tr>
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d20/a05034.html">BALL::CharmmNonBonded</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d1b/a03286.html">BALL::ConstForwardIterator&lt;·Container,·DataType,·Position,·Traits·&gt;</a></td></tr>
 81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d85/a03290.html">BALL::ForwardIterator&lt;·Container,·DataType,·Position,·Traits·&gt;</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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90 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table><table·class="memberdecls"> 
94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
95 Macros</h2></td></tr> 
96 <tr·class="memitem:ab2c10785a59e30d5d071d26326adcfc3"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d13/a00836.html#ab2c10785a59e30d5d071d26326adcfc3">CHARMM_NB_ENABLED</a>&#160;&#160;&#160;&quot;enable·NB&quot;</td></tr> 
97 <tr·class="memdesc:ab2c10785a59e30d5d071d26326adcfc3"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·NonBonded··<a·href="../../d3/d13/a00836.html#ab2c10785a59e30d5d071d26326adcfc3">More...</a><br·/></td></tr> 
98 <tr·class="separator:ab2c10785a59e30d5d071d26326adcfc3"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
99 </table>89 </table>
100 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
101 <a·id="ab2c10785a59e30d5d071d26326adcfc3"·name="ab2c10785a59e30d5d071d26326adcfc3"></a> 
102 <h2·class="memtitle"><span·class="permalink"><a·href="#ab2c10785a59e30d5d071d26326adcfc3">&#9670;&nbsp;</a></span>CHARMM_NB_ENABLED</h2> 
  
103 <div·class="memitem"> 
104 <div·class="memproto"> 
105 ······<table·class="memname"> 
106 ········<tr> 
107 ··········<td·class="memname">#define·CHARMM_NB_ENABLED&#160;&#160;&#160;&quot;enable·NB&quot;</td> 
108 ········</tr> 
109 ······</table> 
110 </div><div·class="memdoc"> 
  
111 <p>flag·to·enable·NonBonded·</p> 
  
112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d13/a00836_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../d3/d13/a00836_source.html">charmmNonBonded.h</a>.</p> 
  
113 </div> 
114 </div> 
115 </div><!--·contents·-->90 </div><!--·contents·-->
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117 <hr·class="footer"/><address·class="footer"><small>92 <hr·class="footer"/><address·class="footer"><small>
118 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.493 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../dc/d66/a05171.html">List·of·all·members</a>··</div>71 <a·href="../../dc/d66/a05171.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ConjugateGradientMinimizer::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ConjugateGradientMinimizer::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d49/a00863_source.html">BALL/MOLMEC/MINIMIZATION/conjugateGradient.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/df3/a00185_source.html">BALL/MOLMEC/MINIMIZATION/conjugateGradient.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a46581d70339cdd7022782ac074eab96b"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d14/a05174.html#a46581d70339cdd7022782ac074eab96b">UPDATE_METHOD</a></td></tr>79 <tr·class="memitem:a46581d70339cdd7022782ac074eab96b"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d14/a05174.html#a46581d70339cdd7022782ac074eab96b">UPDATE_METHOD</a></td></tr>
80 <tr·class="separator:a46581d70339cdd7022782ac074eab96b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a46581d70339cdd7022782ac074eab96b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 </table>81 </table>
82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock"><p·>Defaults·for·all·options·</p>83 <div·class="textblock"><p·>Defaults·for·all·options·</p>
  
84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d49/a00863_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../d7/d49/a00863_source.html">conjugateGradient.h</a>.</p>84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/df3/a00185_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../de/df3/a00185_source.html">conjugateGradient.h</a>.</p>
85 </div><h2·class="groupheader">Member·Data·Documentation</h2>85 </div><h2·class="groupheader">Member·Data·Documentation</h2>
86 <a·id="a46581d70339cdd7022782ac074eab96b"·name="a46581d70339cdd7022782ac074eab96b"></a>86 <a·id="a46581d70339cdd7022782ac074eab96b"·name="a46581d70339cdd7022782ac074eab96b"></a>
87 <h2·class="memtitle"><span·class="permalink"><a·href="#a46581d70339cdd7022782ac074eab96b">&#9670;&nbsp;</a></span>UPDATE_METHOD</h2>87 <h2·class="memtitle"><span·class="permalink"><a·href="#a46581d70339cdd7022782ac074eab96b">&#9670;&nbsp;</a></span>UPDATE_METHOD</h2>
  
88 <div·class="memitem">88 <div·class="memitem">
89 <div·class="memproto">89 <div·class="memproto">
90 <table·class="mlabels">90 <table·class="mlabels">
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102 ··<td·class="mlabels-right">102 ··<td·class="mlabels-right">
103 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>103 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
104 ··</tr>104 ··</tr>
105 </table>105 </table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
107 <p·>The·initial·step·length·used·in·the·line·search·</p>107 <p·>The·initial·step·length·used·in·the·line·search·</p>
  
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d49/a00863_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../d7/d49/a00863_source.html">conjugateGradient.h</a>.</p>108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/df3/a00185_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../de/df3/a00185_source.html">conjugateGradient.h</a>.</p>
  
109 </div>109 </div>
110 </div>110 </div>
111 </div><!--·contents·-->111 </div><!--·contents·-->
112 <!--·start·footer·part·-->112 <!--·start·footer·part·-->
113 <hr·class="footer"/><address·class="footer"><small>113 <hr·class="footer"/><address·class="footer"><small>
114 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4114 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="#friends">Friends</a>·&#124;72 <a·href="#friends">Friends</a>·&#124;
73 <a·href="../../d2/dac/a05743.html">List·of·all·members</a>··</div>73 <a·href="../../d2/dac/a05743.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::QSAR::LatentVariableModel·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::QSAR::LatentVariableModel·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d6/d8e/a01979_source.html">BALL/QSAR/latentVariableModel.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/QSAR/latentVariableModel.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::QSAR::LatentVariableModel:</div>79 Inheritance·diagram·for·BALL::QSAR::LatentVariableModel:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d3/d16/a05746.png"·usemap="#BALL::QSAR::LatentVariableModel_map"·alt=""/>82 ··<img·src="../../d3/d16/a05746.png"·usemap="#BALL::QSAR::LatentVariableModel_map"·alt=""/>
83 ··<map·id="BALL::QSAR::LatentVariableModel_map"·name="BALL::QSAR::LatentVariableModel_map">83 ··<map·id="BALL::QSAR::LatentVariableModel_map"·name="BALL::QSAR::LatentVariableModel_map">
84 <area·href="../../d3/de0/a05738.html"·alt="BALL::QSAR::KPCRModel"·shape="rect"·coords="0,56,207,80"/>84 <area·href="../../d3/de0/a05738.html"·alt="BALL::QSAR::KPCRModel"·shape="rect"·coords="0,56,207,80"/>
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114 Friends</h2></td></tr>114 Friends</h2></td></tr>
115 <tr·class="memitem:ac0ebaabeb3d63ca894d3fc685e9bb856"><td·class="memItemLeft"·align="right"·valign="top">class&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d16/a05746.html#ac0ebaabeb3d63ca894d3fc685e9bb856">RegressionValidation</a></td></tr>115 <tr·class="memitem:ac0ebaabeb3d63ca894d3fc685e9bb856"><td·class="memItemLeft"·align="right"·valign="top">class&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d16/a05746.html#ac0ebaabeb3d63ca894d3fc685e9bb856">RegressionValidation</a></td></tr>
116 <tr·class="separator:ac0ebaabeb3d63ca894d3fc685e9bb856"><td·class="memSeparator"·colspan="2">&#160;</td></tr>116 <tr·class="separator:ac0ebaabeb3d63ca894d3fc685e9bb856"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
117 </table>117 </table>
118 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>118 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
119 <div·class="textblock"><p·>Interface-class·for·all·latente·variable·models·(PLS,·PCR,·...).·It·is·used·to·store·and·access·the·latente·variables·(PLS/PCR·components),·the·loading·matrix·and·the·weight·matrix·in·the·same·way·for·all·such·models.·</p>119 <div·class="textblock"><p·>Interface-class·for·all·latente·variable·models·(PLS,·PCR,·...).·It·is·used·to·store·and·access·the·latente·variables·(PLS/PCR·components),·the·loading·matrix·and·the·weight·matrix·in·the·same·way·for·all·such·models.·</p>
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8e/a01979_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d6/d8e/a01979_source.html">latentVariableModel.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d43/a00422_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../db/d43/a00422_source.html">latentVariableModel.h</a>.</p>
121 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>121 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
122 <a·id="a00b644e3549fa72d2a128024fa0f90b1"·name="a00b644e3549fa72d2a128024fa0f90b1"></a>122 <a·id="a00b644e3549fa72d2a128024fa0f90b1"·name="a00b644e3549fa72d2a128024fa0f90b1"></a>
123 <h2·class="memtitle"><span·class="permalink"><a·href="#a00b644e3549fa72d2a128024fa0f90b1">&#9670;&nbsp;</a></span>LatentVariableModel()</h2>123 <h2·class="memtitle"><span·class="permalink"><a·href="#a00b644e3549fa72d2a128024fa0f90b1">&#9670;&nbsp;</a></span>LatentVariableModel()</h2>
  
124 <div·class="memitem">124 <div·class="memitem">
125 <div·class="memproto">125 <div·class="memproto">
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212 ··</td>212 ··</td>
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218 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8e/a01979_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d6/d8e/a01979_source.html">latentVariableModel.h</a>.</p>218 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d43/a00422_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../db/d43/a00422_source.html">latentVariableModel.h</a>.</p>
  
219 </div>219 </div>
220 </div>220 </div>
221 <h2·class="groupheader">Member·Data·Documentation</h2>221 <h2·class="groupheader">Member·Data·Documentation</h2>
222 <a·id="a540d05fac070caf819246da5ff5a9976"·name="a540d05fac070caf819246da5ff5a9976"></a>222 <a·id="a540d05fac070caf819246da5ff5a9976"·name="a540d05fac070caf819246da5ff5a9976"></a>
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238 ··<td·class="mlabels-right">238 ··<td·class="mlabels-right">
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240 ··</tr>240 ··</tr>
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243 <p·>The·loading-matrix·which·contains·one·loading·vector·in·each·column.·Each·loading·vector·contains·the·importance·of·each·feature·for·a·latente·variable.·</p>243 <p·>The·loading-matrix·which·contains·one·loading·vector·in·each·column.·Each·loading·vector·contains·the·importance·of·each·feature·for·a·latente·variable.·</p>
  
244 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8e/a01979_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d6/d8e/a01979_source.html">latentVariableModel.h</a>.</p>244 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d43/a00422_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../db/d43/a00422_source.html">latentVariableModel.h</a>.</p>
  
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248 <h2·class="memtitle"><span·class="permalink"><a·href="#a3a3dcb1145a7c2b864d1dee12a0cd8b3">&#9670;&nbsp;</a></span>loadings_</h2>248 <h2·class="memtitle"><span·class="permalink"><a·href="#a3a3dcb1145a7c2b864d1dee12a0cd8b3">&#9670;&nbsp;</a></span>loadings_</h2>
  
249 <div·class="memitem">249 <div·class="memitem">
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263 ··<td·class="mlabels-right">263 ··<td·class="mlabels-right">
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265 ··</tr>265 ··</tr>
266 </table>266 </table>
267 </div><div·class="memdoc">267 </div><div·class="memdoc">
268 <p·>The·loading-matrix·which·contains·one·loading·vector·in·each·column.·Each·loading·vector·contains·the·importance·of·each·feature·for·a·latente·variable.·</p>268 <p·>The·loading-matrix·which·contains·one·loading·vector·in·each·column.·Each·loading·vector·contains·the·importance·of·each·feature·for·a·latente·variable.·</p>
  
269 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8e/a01979_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d6/d8e/a01979_source.html">latentVariableModel.h</a>.</p>269 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d43/a00422_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../db/d43/a00422_source.html">latentVariableModel.h</a>.</p>
  
270 </div>270 </div>
271 </div>271 </div>
272 <a·id="affba7da7e8ca3ee211a86c4d08774796"·name="affba7da7e8ca3ee211a86c4d08774796"></a>272 <a·id="affba7da7e8ca3ee211a86c4d08774796"·name="affba7da7e8ca3ee211a86c4d08774796"></a>
273 <h2·class="memtitle"><span·class="permalink"><a·href="#affba7da7e8ca3ee211a86c4d08774796">&#9670;&nbsp;</a></span>weights_</h2>273 <h2·class="memtitle"><span·class="permalink"><a·href="#affba7da7e8ca3ee211a86c4d08774796">&#9670;&nbsp;</a></span>weights_</h2>
  
274 <div·class="memitem">274 <div·class="memitem">
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288 ··<td·class="mlabels-right">288 ··<td·class="mlabels-right">
289 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>289 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
290 ··</tr>290 ··</tr>
291 </table>291 </table>
292 </div><div·class="memdoc">292 </div><div·class="memdoc">
293 <p·>The·weights-matrix·which·contains·one·weight·vector·in·each·column.·Each·weight·vector·contains·the·importance·of·each·latente·variable·for·modelling·the·result.·</p>293 <p·>The·weights-matrix·which·contains·one·weight·vector·in·each·column.·Each·weight·vector·contains·the·importance·of·each·latente·variable·for·modelling·the·result.·</p>
  
294 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8e/a01979_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d6/d8e/a01979_source.html">latentVariableModel.h</a>.</p>294 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d43/a00422_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../db/d43/a00422_source.html">latentVariableModel.h</a>.</p>
  
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77 Classes</h2></td></tr>79 Classes</h2></td></tr>
78 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d58/a06118.html">BALL::ScoringBaseFunction</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/db9/a04870.html">BALL::NumericalIntegrator&lt;·Function,·DataType·&gt;</a></td></tr>
79 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
80 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
82 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
83 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../de/d5f/a04763.html">List·of·all·members</a>··</div>71 <a·href="../../de/d5f/a04763.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::RingFinder·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::RingFinder·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:a7287f68b1d6d2e3061233ae8d85d6755"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d1e/a04766.html#a7287f68b1d6d2e3061233ae8d85d6755">RingFinder</a>·()</td></tr>79 <tr·class="memitem:a7287f68b1d6d2e3061233ae8d85d6755"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d1e/a04766.html#a7287f68b1d6d2e3061233ae8d85d6755">RingFinder</a>·()</td></tr>
80 <tr·class="memdesc:a7287f68b1d6d2e3061233ae8d85d6755"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Default·constructor.··<a·href="../../d3/d1e/a04766.html#a7287f68b1d6d2e3061233ae8d85d6755">More...</a><br·/></td></tr>80 <tr·class="memdesc:a7287f68b1d6d2e3061233ae8d85d6755"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Default·constructor.··<a·href="../../d3/d1e/a04766.html#a7287f68b1d6d2e3061233ae8d85d6755">More...</a><br·/></td></tr>
81 <tr·class="separator:a7287f68b1d6d2e3061233ae8d85d6755"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a7287f68b1d6d2e3061233ae8d85d6755"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:ac9016795d75a2d915edb1e8efc56f48a"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d1e/a04766.html#ac9016795d75a2d915edb1e8efc56f48a">RingFinder</a>·(<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·n)</td></tr>82 <tr·class="memitem:ac9016795d75a2d915edb1e8efc56f48a"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d1e/a04766.html#ac9016795d75a2d915edb1e8efc56f48a">RingFinder</a>·(<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·n)</td></tr>
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95 <tr·class="separator:aefec48329498edf8b123a7b115156b8b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:aefec48329498edf8b123a7b115156b8b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 <tr·class="memitem:ac2bbdf50f371aebf0a0214ae45059584"><td·class="memItemLeft"·align="right"·valign="top">const·std::vector&lt;·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*·&gt;·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d1e/a04766.html#ac2bbdf50f371aebf0a0214ae45059584">getRingAtoms</a>·()·const</td></tr>96 <tr·class="memitem:ac2bbdf50f371aebf0a0214ae45059584"><td·class="memItemLeft"·align="right"·valign="top">const·std::vector&lt;·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*·&gt;·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d1e/a04766.html#ac2bbdf50f371aebf0a0214ae45059584">getRingAtoms</a>·()·const</td></tr>
97 <tr·class="separator:ac2bbdf50f371aebf0a0214ae45059584"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:ac2bbdf50f371aebf0a0214ae45059584"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>98 </table>
99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
100 <div·class="textblock"><p·>Helper·class·for·all·predicates·that·need·ring·information.·</p>100 <div·class="textblock"><p·>Helper·class·for·all·predicates·that·need·ring·information.·</p>
  
101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00833">833</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00833">833</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
102 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>102 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
103 <a·id="a7287f68b1d6d2e3061233ae8d85d6755"·name="a7287f68b1d6d2e3061233ae8d85d6755"></a>103 <a·id="a7287f68b1d6d2e3061233ae8d85d6755"·name="a7287f68b1d6d2e3061233ae8d85d6755"></a>
104 <h2·class="memtitle"><span·class="permalink"><a·href="#a7287f68b1d6d2e3061233ae8d85d6755">&#9670;&nbsp;</a></span>RingFinder()·<span·class="overload">[1/2]</span></h2>104 <h2·class="memtitle"><span·class="permalink"><a·href="#a7287f68b1d6d2e3061233ae8d85d6755">&#9670;&nbsp;</a></span>RingFinder()·<span·class="overload">[1/2]</span></h2>
  
105 <div·class="memitem">105 <div·class="memitem">
106 <div·class="memproto">106 <div·class="memproto">
107 ······<table·class="memname">107 ······<table·class="memname">
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d6/d6f/a04819.html">List·of·all·members</a>··</div>70 <a·href="../../d6/d6f/a04819.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::ConstantFunction&lt;·constant_template·&gt;·Class·Template·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../db/dcf/a02157.html">Mathematics</a>·&raquo;·<a·class="el"·href="../../df/dbf/a02161.html">Function·classes</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::ConstantFunction&lt;·constant_template·&gt;·Class·Template·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../db/dcf/a02157.html">Mathematics</a>·&raquo;·<a·class="el"·href="../../df/dbf/a02161.html">Function·classes</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d5/dd6/a01820_source.html">BALL/MATHS/function.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d6/d22/a00245_source.html">BALL/MATHS/function.h</a>&gt;</code></p>
75 <table·class="memberdecls">75 <table·class="memberdecls">
76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
77 Public·Member·Functions</h2></td></tr>77 Public·Member·Functions</h2></td></tr>
78 <tr><td·colspan="2"><div·class="groupHeader">Function·realization</div></td></tr>78 <tr><td·colspan="2"><div·class="groupHeader">Function·realization</div></td></tr>
79 <tr·class="memitem:ab860de335c2f16a73c2761ab22416801"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d1/dd8/a01022.html#aac36dac5eb210529000645a87a85b79c">BALL_INLINE</a>·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d23/a04822.html#ab860de335c2f16a73c2761ab22416801">operator()</a>·(<a·class="el"·href="../../de/ded/a09238.html">float</a>)·const</td></tr>79 <tr·class="memitem:ab860de335c2f16a73c2761ab22416801"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d4d/a00620.html#aac36dac5eb210529000645a87a85b79c">BALL_INLINE</a>·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d23/a04822.html#ab860de335c2f16a73c2761ab22416801">operator()</a>·(<a·class="el"·href="../../de/ded/a09238.html">float</a>)·const</td></tr>
80 <tr·class="separator:ab860de335c2f16a73c2761ab22416801"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:ab860de335c2f16a73c2761ab22416801"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 </table>81 </table>
82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock"><div·class="compoundTemplParams">template&lt;int·constant_template&gt;<br·/>83 <div·class="textblock"><div·class="compoundTemplParams">template&lt;int·constant_template&gt;<br·/>
84 class·BALL::ConstantFunction&lt;·constant_template·&gt;</div><p·><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·function·class.·This·function·represents·a·constant·that·is·already·known·at·compile·time.·</p>84 class·BALL::ConstantFunction&lt;·constant_template·&gt;</div><p·><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·function·class.·This·function·represents·a·constant·that·is·already·known·at·compile·time.·</p>
  
85 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dd6/a01820_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d5/dd6/a01820_source.html">function.h</a>.</p>85 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d22/a00245_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d6/d22/a00245_source.html">function.h</a>.</p>
86 </div><h2·class="groupheader">Member·Function·Documentation</h2>86 </div><h2·class="groupheader">Member·Function·Documentation</h2>
87 <a·id="ab860de335c2f16a73c2761ab22416801"·name="ab860de335c2f16a73c2761ab22416801"></a>87 <a·id="ab860de335c2f16a73c2761ab22416801"·name="ab860de335c2f16a73c2761ab22416801"></a>
88 <h2·class="memtitle"><span·class="permalink"><a·href="#ab860de335c2f16a73c2761ab22416801">&#9670;&nbsp;</a></span>operator()()</h2>88 <h2·class="memtitle"><span·class="permalink"><a·href="#ab860de335c2f16a73c2761ab22416801">&#9670;&nbsp;</a></span>operator()()</h2>
  
89 <div·class="memitem">89 <div·class="memitem">
90 <div·class="memproto">90 <div·class="memproto">
91 <div·class="memtemplate">91 <div·class="memtemplate">
92 template&lt;int·constant_template&gt;·</div>92 template&lt;int·constant_template&gt;·</div>
93 <table·class="mlabels">93 <table·class="mlabels">
94 ··<tr>94 ··<tr>
95 ··<td·class="mlabels-left">95 ··<td·class="mlabels-left">
96 ······<table·class="memname">96 ······<table·class="memname">
97 ········<tr>97 ········<tr>
98 ··········<td·class="memname"><a·class="el"·href="../../d1/dd8/a01022.html#aac36dac5eb210529000645a87a85b79c">BALL_INLINE</a>·<a·class="el"·href="../../de/ded/a09238.html">float</a>·<a·class="el"·href="../../d3/d23/a04822.html">BALL::ConstantFunction</a>&lt;·constant_template·&gt;::operator()·</td>98 ··········<td·class="memname"><a·class="el"·href="../../dc/d4d/a00620.html#aac36dac5eb210529000645a87a85b79c">BALL_INLINE</a>·<a·class="el"·href="../../de/ded/a09238.html">float</a>·<a·class="el"·href="../../d3/d23/a04822.html">BALL::ConstantFunction</a>&lt;·constant_template·&gt;::operator()·</td>
99 ··········<td>(</td>99 ··········<td>(</td>
100 ··········<td·class="paramtype"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td>100 ··········<td·class="paramtype"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td>
101 ··········<td·class="paramname"></td><td>)</td>101 ··········<td·class="paramname"></td><td>)</td>
102 ··········<td>·const</td>102 ··········<td>·const</td>
103 ········</tr>103 ········</tr>
104 ······</table>104 ······</table>
105 ··</td>105 ··</td>
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115 ··<table·class="params">115 ··<table·class="params">
116 ····<tr><td·class="paramname">x</td><td>the·point·where·to·evaluate·</td></tr>116 ····<tr><td·class="paramname">x</td><td>the·point·where·to·evaluate·</td></tr>
117 ··</table>117 ··</table>
118 ··</dd>118 ··</dd>
119 </dl>119 </dl>
120 <dl·class="section·return"><dt>Returns</dt><dd>the·function·value·</dd></dl>120 <dl·class="section·return"><dt>Returns</dt><dd>the·function·value·</dd></dl>
  
121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dd6/a01820_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d5/dd6/a01820_source.html">function.h</a>.</p>121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d22/a00245_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d6/d22/a00245_source.html">function.h</a>.</p>
  
122 </div>122 </div>
123 </div>123 </div>
124 </div><!--·contents·-->124 </div><!--·contents·-->
125 <!--·start·footer·part·-->125 <!--·start·footer·part·-->
126 <hr·class="footer"/><address·class="footer"><small>126 <hr·class="footer"/><address·class="footer"><small>
127 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4127 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
75 <a·href="#properties">Properties</a>·&#124;75 <a·href="#properties">Properties</a>·&#124;
76 <a·href="../../d3/d11/a08359.html">List·of·all·members</a>··</div>76 <a·href="../../d3/d11/a08359.html">List·of·all·members</a>··</div>
77 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorButton·Class·Reference</div></div>77 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorButton·Class·Reference</div></div>
78 </div><!--header-->78 </div><!--header-->
79 <div·class="contents">79 <div·class="contents">
  
80 <p><code>#include·&lt;<a·class="el"·href="../../d7/d22/a01514_source.html">BALL/VIEW/WIDGETS/colorButton.h</a>&gt;</code></p>80 <p><code>#include·&lt;<a·class="el"·href="../../d6/d80/a01076_source.html">BALL/VIEW/WIDGETS/colorButton.h</a>&gt;</code></p>
81 <div·class="dynheader">81 <div·class="dynheader">
82 Inheritance·diagram·for·BALL::VIEW::ColorButton:</div>82 Inheritance·diagram·for·BALL::VIEW::ColorButton:</div>
83 <div·class="dyncontent">83 <div·class="dyncontent">
84 ·<div·class="center">84 ·<div·class="center">
85 ··<img·src="../../d3/d25/a08362.png"·usemap="#BALL::VIEW::ColorButton_map"·alt=""/>85 ··<img·src="../../d3/d25/a08362.png"·usemap="#BALL::VIEW::ColorButton_map"·alt=""/>
86 ··<map·id="BALL::VIEW::ColorButton_map"·name="BALL::VIEW::ColorButton_map">86 ··<map·id="BALL::VIEW::ColorButton_map"·name="BALL::VIEW::ColorButton_map">
87 <area·href="../../dc/dc1/a20070.html"·alt="QPushButton"·shape="rect"·coords="0,0,152,24"/>87 <area·href="../../dc/dc1/a20070.html"·alt="QPushButton"·shape="rect"·coords="0,0,152,24"/>
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147 <tr·class="memitem:a311b7c81273f203d19f35ba048c1d11c"><td·class="memItemLeft"·align="right"·valign="top">QColor&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d25/a08362.html#a311b7c81273f203d19f35ba048c1d11c">color_</a></td></tr>147 <tr·class="memitem:a311b7c81273f203d19f35ba048c1d11c"><td·class="memItemLeft"·align="right"·valign="top">QColor&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d25/a08362.html#a311b7c81273f203d19f35ba048c1d11c">color_</a></td></tr>
148 <tr·class="separator:a311b7c81273f203d19f35ba048c1d11c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>148 <tr·class="separator:a311b7c81273f203d19f35ba048c1d11c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
149 <tr·class="memitem:a6ce852d667893d303d68a507d036280c"><td·class="memItemLeft"·align="right"·valign="top">QColor&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d25/a08362.html#a6ce852d667893d303d68a507d036280c">default_color_</a></td></tr>149 <tr·class="memitem:a6ce852d667893d303d68a507d036280c"><td·class="memItemLeft"·align="right"·valign="top">QColor&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d25/a08362.html#a6ce852d667893d303d68a507d036280c">default_color_</a></td></tr>
150 <tr·class="separator:a6ce852d667893d303d68a507d036280c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>150 <tr·class="separator:a6ce852d667893d303d68a507d036280c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
151 </table>151 </table>
152 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>152 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
153 <div·class="textblock">153 <div·class="textblock">
154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d22/a01514_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d7/d22/a01514_source.html">colorButton.h</a>.</p>154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d80/a01076_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d6/d80/a01076_source.html">colorButton.h</a>.</p>
155 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>155 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
156 <a·id="a0336f7e6d6eae1d4961397c3a9237e72"·name="a0336f7e6d6eae1d4961397c3a9237e72"></a>156 <a·id="a0336f7e6d6eae1d4961397c3a9237e72"·name="a0336f7e6d6eae1d4961397c3a9237e72"></a>
157 <h2·class="memtitle"><span·class="permalink"><a·href="#a0336f7e6d6eae1d4961397c3a9237e72">&#9670;&nbsp;</a></span>ColorButton()·<span·class="overload">[1/5]</span></h2>157 <h2·class="memtitle"><span·class="permalink"><a·href="#a0336f7e6d6eae1d4961397c3a9237e72">&#9670;&nbsp;</a></span>ColorButton()·<span·class="overload">[1/5]</span></h2>
  
158 <div·class="memitem">158 <div·class="memitem">
159 <div·class="memproto">159 <div·class="memproto">
160 <table·class="mlabels">160 <table·class="mlabels">
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613 ··</td>613 ··</td>
614 ··<td·class="mlabels-right">614 ··<td·class="mlabels-right">
615 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>615 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
616 ··</tr>616 ··</tr>
617 </table>617 </table>
618 </div><div·class="memdoc">618 </div><div·class="memdoc">
  
619 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d22/a01514_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d7/d22/a01514_source.html">colorButton.h</a>.</p>619 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d80/a01076_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d6/d80/a01076_source.html">colorButton.h</a>.</p>
  
620 </div>620 </div>
621 </div>621 </div>
622 <h2·class="groupheader">Property·Documentation</h2>622 <h2·class="groupheader">Property·Documentation</h2>
623 <a·id="a311b7c81273f203d19f35ba048c1d11c"·name="a311b7c81273f203d19f35ba048c1d11c"></a>623 <a·id="a311b7c81273f203d19f35ba048c1d11c"·name="a311b7c81273f203d19f35ba048c1d11c"></a>
624 <h2·class="memtitle"><span·class="permalink"><a·href="#a311b7c81273f203d19f35ba048c1d11c">&#9670;&nbsp;</a></span>color_</h2>624 <h2·class="memtitle"><span·class="permalink"><a·href="#a311b7c81273f203d19f35ba048c1d11c">&#9670;&nbsp;</a></span>color_</h2>
  
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638 ··</td>638 ··</td>
639 ··<td·class="mlabels-right">639 ··<td·class="mlabels-right">
640 <span·class="mlabels"><span·class="mlabel">read</span><span·class="mlabel">write</span></span>··</td>640 <span·class="mlabels"><span·class="mlabel">read</span><span·class="mlabel">write</span></span>··</td>
641 ··</tr>641 ··</tr>
642 </table>642 </table>
643 </div><div·class="memdoc">643 </div><div·class="memdoc">
  
644 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d22/a01514_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d7/d22/a01514_source.html">colorButton.h</a>.</p>644 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d80/a01076_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d6/d80/a01076_source.html">colorButton.h</a>.</p>
  
645 </div>645 </div>
646 </div>646 </div>
647 <a·id="a6ce852d667893d303d68a507d036280c"·name="a6ce852d667893d303d68a507d036280c"></a>647 <a·id="a6ce852d667893d303d68a507d036280c"·name="a6ce852d667893d303d68a507d036280c"></a>
648 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ce852d667893d303d68a507d036280c">&#9670;&nbsp;</a></span>default_color_</h2>648 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ce852d667893d303d68a507d036280c">&#9670;&nbsp;</a></span>default_color_</h2>
  
649 <div·class="memitem">649 <div·class="memitem">
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662 ··</td>662 ··</td>
663 ··<td·class="mlabels-right">663 ··<td·class="mlabels-right">
664 <span·class="mlabels"><span·class="mlabel">read</span><span·class="mlabel">write</span></span>··</td>664 <span·class="mlabels"><span·class="mlabel">read</span><span·class="mlabel">write</span></span>··</td>
665 ··</tr>665 ··</tr>
666 </table>666 </table>
667 </div><div·class="memdoc">667 </div><div·class="memdoc">
  
668 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d22/a01514_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d7/d22/a01514_source.html">colorButton.h</a>.</p>668 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d80/a01076_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d6/d80/a01076_source.html">colorButton.h</a>.</p>
  
669 </div>669 </div>
670 </div>670 </div>
671 </div><!--·contents·-->671 </div><!--·contents·-->
672 <!--·start·footer·part·-->672 <!--·start·footer·part·-->
673 <hr·class="footer"/><address·class="footer"><small>673 <hr·class="footer"/><address·class="footer"><small>
674 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4674 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d6/d3f/a05571.html">List·of·all·members</a>··</div>70 <a·href="../../d6/d3f/a05571.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::PyIndexList·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d5/d63/a02123.html">Python</a>·&raquo;·<a·class="el"·href="../../d5/ddd/a02184.html">Python·extensions</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::PyIndexList·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d5/d63/a02123.html">Python</a>·&raquo;·<a·class="el"·href="../../d5/ddd/a02184.html">Python·extensions</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d6/db8/a00158_source.html">BALL/PYTHON/EXTENSIONS/pyIndexList.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../db/d7b/a00296_source.html">BALL/PYTHON/EXTENSIONS/pyIndexList.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::PyIndexList:</div>76 Inheritance·diagram·for·BALL::PyIndexList:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d3/d27/a05574.png"·alt=""/>79 ··<img·src="../../d3/d27/a05574.png"·alt=""/>
80 ·</div></div>80 ·</div></div>
81 <table·class="memberdecls">81 <table·class="memberdecls">
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119 <tr·class="separator:a23e16b01d39ce44ab31195639b97b7be"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a23e16b01d39ce44ab31195639b97b7be"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 <tr·class="memitem:a9a12a072bfe49cac635982310184017b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d27/a05574.html">PyIndexList</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d27/a05574.html#a9a12a072bfe49cac635982310184017b">operator=</a>·(const·std::vector&lt;·<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·&gt;·&amp;idx_list)</td></tr>120 <tr·class="memitem:a9a12a072bfe49cac635982310184017b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d27/a05574.html">PyIndexList</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d27/a05574.html#a9a12a072bfe49cac635982310184017b">operator=</a>·(const·std::vector&lt;·<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·&gt;·&amp;idx_list)</td></tr>
121 <tr·class="separator:a9a12a072bfe49cac635982310184017b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>121 <tr·class="separator:a9a12a072bfe49cac635982310184017b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
122 </table>122 </table>
123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
124 <div·class="textblock"><p·>Equivalent·for·an·STL::List·of·numbers/indices·in·Python.·This·is·used·to·express·both,·lits·and·arrays·of·signed/unsigned·integers·in·Python.·&lt;&gt;·</p>124 <div·class="textblock"><p·>Equivalent·for·an·STL::List·of·numbers/indices·in·Python.·This·is·used·to·express·both,·lits·and·arrays·of·signed/unsigned·integers·in·Python.·&lt;&gt;·</p>
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">pyIndexList.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7b/a00296_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../db/d7b/a00296_source.html">pyIndexList.h</a>.</p>
126 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>126 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
127 <a·id="a9631cfe803ac7ea4a2c87c7167f54911"·name="a9631cfe803ac7ea4a2c87c7167f54911"></a>127 <a·id="a9631cfe803ac7ea4a2c87c7167f54911"·name="a9631cfe803ac7ea4a2c87c7167f54911"></a>
128 <h2·class="memtitle"><span·class="permalink"><a·href="#a9631cfe803ac7ea4a2c87c7167f54911">&#9670;&nbsp;</a></span>ConstIterator</h2>128 <h2·class="memtitle"><span·class="permalink"><a·href="#a9631cfe803ac7ea4a2c87c7167f54911">&#9670;&nbsp;</a></span>ConstIterator</h2>
  
129 <div·class="memitem">129 <div·class="memitem">
130 <div·class="memproto">130 <div·class="memproto">
131 ······<table·class="memname">131 ······<table·class="memname">
132 ········<tr>132 ········<tr>
133 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>&gt;::const_iterator·<a·class="el"·href="../../d3/d27/a05574.html#a9631cfe803ac7ea4a2c87c7167f54911">BALL::PyIndexList::ConstIterator</a></td>133 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>&gt;::const_iterator·<a·class="el"·href="../../d3/d27/a05574.html#a9631cfe803ac7ea4a2c87c7167f54911">BALL::PyIndexList::ConstIterator</a></td>
134 ········</tr>134 ········</tr>
135 ······</table>135 ······</table>
136 </div><div·class="memdoc">136 </div><div·class="memdoc">
137 <p·><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·iterator·type.·</p>137 <p·><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·iterator·type.·</p>
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">pyIndexList.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7b/a00296_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../db/d7b/a00296_source.html">pyIndexList.h</a>.</p>
  
139 </div>139 </div>
140 </div>140 </div>
141 <a·id="aac31da38414f8188352aa45962f6a231"·name="aac31da38414f8188352aa45962f6a231"></a>141 <a·id="aac31da38414f8188352aa45962f6a231"·name="aac31da38414f8188352aa45962f6a231"></a>
142 <h2·class="memtitle"><span·class="permalink"><a·href="#aac31da38414f8188352aa45962f6a231">&#9670;&nbsp;</a></span>Iterator</h2>142 <h2·class="memtitle"><span·class="permalink"><a·href="#aac31da38414f8188352aa45962f6a231">&#9670;&nbsp;</a></span>Iterator</h2>
  
143 <div·class="memitem">143 <div·class="memitem">
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151 ········<tr>151 ········<tr>
152 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>&gt;::iterator·<a·class="el"·href="../../d3/d27/a05574.html#aac31da38414f8188352aa45962f6a231">BALL::PyIndexList::Iterator</a></td>152 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>&gt;::iterator·<a·class="el"·href="../../d3/d27/a05574.html#aac31da38414f8188352aa45962f6a231">BALL::PyIndexList::Iterator</a></td>
153 ········</tr>153 ········</tr>
154 ······</table>154 ······</table>
155 </div><div·class="memdoc">155 </div><div·class="memdoc">
156 <p·>Iterator·type.·</p>156 <p·>Iterator·type.·</p>
  
157 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">pyIndexList.h</a>.</p>157 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7b/a00296_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../db/d7b/a00296_source.html">pyIndexList.h</a>.</p>
  
158 </div>158 </div>
159 </div>159 </div>
160 <a·id="a7e07ed5f9e0fc3683f6e6d34d45f9d71"·name="a7e07ed5f9e0fc3683f6e6d34d45f9d71"></a>160 <a·id="a7e07ed5f9e0fc3683f6e6d34d45f9d71"·name="a7e07ed5f9e0fc3683f6e6d34d45f9d71"></a>
161 <h2·class="memtitle"><span·class="permalink"><a·href="#a7e07ed5f9e0fc3683f6e6d34d45f9d71">&#9670;&nbsp;</a></span>PointerType</h2>161 <h2·class="memtitle"><span·class="permalink"><a·href="#a7e07ed5f9e0fc3683f6e6d34d45f9d71">&#9670;&nbsp;</a></span>PointerType</h2>
  
162 <div·class="memitem">162 <div·class="memitem">
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169 ··········<td·class="memname">typedef·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·<a·class="el"·href="../../d3/d27/a05574.html#a7e07ed5f9e0fc3683f6e6d34d45f9d71">BALL::PyIndexList::PointerType</a></td>169 ··········<td·class="memname">typedef·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·<a·class="el"·href="../../d3/d27/a05574.html#a7e07ed5f9e0fc3683f6e6d34d45f9d71">BALL::PyIndexList::PointerType</a></td>
170 ········</tr>170 ········</tr>
171 ······</table>171 ······</table>
172 </div><div·class="memdoc">172 </div><div·class="memdoc">
173 <p·>Pointer·type·</p>173 <p·>Pointer·type·</p>
  
174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">pyIndexList.h</a>.</p>174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7b/a00296_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../db/d7b/a00296_source.html">pyIndexList.h</a>.</p>
  
175 </div>175 </div>
176 </div>176 </div>
177 <a·id="a40650efeab7334f8237854551a1e1e36"·name="a40650efeab7334f8237854551a1e1e36"></a>177 <a·id="a40650efeab7334f8237854551a1e1e36"·name="a40650efeab7334f8237854551a1e1e36"></a>
178 <h2·class="memtitle"><span·class="permalink"><a·href="#a40650efeab7334f8237854551a1e1e36">&#9670;&nbsp;</a></span>ValueType</h2>178 <h2·class="memtitle"><span·class="permalink"><a·href="#a40650efeab7334f8237854551a1e1e36">&#9670;&nbsp;</a></span>ValueType</h2>
  
179 <div·class="memitem">179 <div·class="memitem">
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185 ········<tr>185 ········<tr>
186 ··········<td·class="memname">typedef·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·<a·class="el"·href="../../d3/d27/a05574.html#a40650efeab7334f8237854551a1e1e36">BALL::PyIndexList::ValueType</a></td>186 ··········<td·class="memname">typedef·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·<a·class="el"·href="../../d3/d27/a05574.html#a40650efeab7334f8237854551a1e1e36">BALL::PyIndexList::ValueType</a></td>
187 ········</tr>187 ········</tr>
188 ······</table>188 ······</table>
189 </div><div·class="memdoc">189 </div><div·class="memdoc">
190 <p·>Index·type·</p>190 <p·>Index·type·</p>
  
191 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">pyIndexList.h</a>.</p>191 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7b/a00296_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../db/d7b/a00296_source.html">pyIndexList.h</a>.</p>
  
192 </div>192 </div>
193 </div>193 </div>
194 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>194 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
195 <a·id="aa67ef68035ff268dc350b00535017a4b"·name="aa67ef68035ff268dc350b00535017a4b"></a>195 <a·id="aa67ef68035ff268dc350b00535017a4b"·name="aa67ef68035ff268dc350b00535017a4b"></a>
196 <h2·class="memtitle"><span·class="permalink"><a·href="#aa67ef68035ff268dc350b00535017a4b">&#9670;&nbsp;</a></span>PyIndexList()·<span·class="overload">[1/6]</span></h2>196 <h2·class="memtitle"><span·class="permalink"><a·href="#aa67ef68035ff268dc350b00535017a4b">&#9670;&nbsp;</a></span>PyIndexList()·<span·class="overload">[1/6]</span></h2>
  
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70 <a·href="#pub-types">Public·Types</a>·&#124;70 <a·href="#pub-types">Public·Types</a>·&#124;
71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="../../d2/def/a06271.html">List·of·all·members</a>··</div>72 <a·href="../../d2/def/a06271.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::FresnoTypes·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::FresnoTypes·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d1/da8/a00230_source.html">BALL/SCORING/COMPONENTS/fresnoTypes.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d2e/a02051_source.html">BALL/SCORING/COMPONENTS/fresnoTypes.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
79 Public·Types</h2></td></tr>79 Public·Types</h2></td></tr>
80 <tr·class="memitem:a9c79930b34e3d77eec08ea0bd5369a42"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d28/a06274.html#a9c79930b34e3d77eec08ea0bd5369a42">TypeAssignment</a>·{·<a·class="el"·href="../../d3/d28/a06274.html#a9c79930b34e3d77eec08ea0bd5369a42a4d1048829bff9688402ceb055d4a7ca2">ASSIGNMENT__ELDRIDGE</a>80 <tr·class="memitem:a9c79930b34e3d77eec08ea0bd5369a42"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d28/a06274.html#a9c79930b34e3d77eec08ea0bd5369a42">TypeAssignment</a>·{·<a·class="el"·href="../../d3/d28/a06274.html#a9c79930b34e3d77eec08ea0bd5369a42a4d1048829bff9688402ceb055d4a7ca2">ASSIGNMENT__ELDRIDGE</a>
81 ,·<a·class="el"·href="../../d3/d28/a06274.html#a9c79930b34e3d77eec08ea0bd5369a42a08278390a4ac29c2fd59d86616a2f5b5">ASSIGNMENT__FRESNO</a>81 ,·<a·class="el"·href="../../d3/d28/a06274.html#a9c79930b34e3d77eec08ea0bd5369a42a08278390a4ac29c2fd59d86616a2f5b5">ASSIGNMENT__FRESNO</a>
82 ·}</td></tr>82 ·}</td></tr>
83 <tr·class="separator:a9c79930b34e3d77eec08ea0bd5369a42"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:a9c79930b34e3d77eec08ea0bd5369a42"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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105 <tr·class="memitem:a5d29583ba94bf67867e542cfc974dfdd"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d28/a06274.html#a5d29583ba94bf67867e542cfc974dfdd">setup</a>·()</td></tr>105 <tr·class="memitem:a5d29583ba94bf67867e542cfc974dfdd"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d28/a06274.html#a5d29583ba94bf67867e542cfc974dfdd">setup</a>·()</td></tr>
106 <tr·class="separator:a5d29583ba94bf67867e542cfc974dfdd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>106 <tr·class="separator:a5d29583ba94bf67867e542cfc974dfdd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
107 <tr·class="memitem:a0e1188bf176efbc8c09f06a5ee3f0798"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/de9/a03530.html">HashMap</a>&lt;·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d28/a06274.html#a0e1188bf176efbc8c09f06a5ee3f0798">getTypeMap</a>·()·const</td></tr>107 <tr·class="memitem:a0e1188bf176efbc8c09f06a5ee3f0798"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/de9/a03530.html">HashMap</a>&lt;·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d28/a06274.html#a0e1188bf176efbc8c09f06a5ee3f0798">getTypeMap</a>·()·const</td></tr>
108 <tr·class="separator:a0e1188bf176efbc8c09f06a5ee3f0798"><td·class="memSeparator"·colspan="2">&#160;</td></tr>108 <tr·class="separator:a0e1188bf176efbc8c09f06a5ee3f0798"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
109 </table>109 </table>
110 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>110 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
111 <div·class="textblock">111 <div·class="textblock">
112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/da8/a00230_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d1/da8/a00230_source.html">fresnoTypes.h</a>.</p>112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2e/a02051_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d4/d2e/a02051_source.html">fresnoTypes.h</a>.</p>
113 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>113 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
114 <a·id="a0ea96a0013a56c61151734e6ff3d7fd6"·name="a0ea96a0013a56c61151734e6ff3d7fd6"></a>114 <a·id="a0ea96a0013a56c61151734e6ff3d7fd6"·name="a0ea96a0013a56c61151734e6ff3d7fd6"></a>
115 <h2·class="memtitle"><span·class="permalink"><a·href="#a0ea96a0013a56c61151734e6ff3d7fd6">&#9670;&nbsp;</a></span>FresnoType</h2>115 <h2·class="memtitle"><span·class="permalink"><a·href="#a0ea96a0013a56c61151734e6ff3d7fd6">&#9670;&nbsp;</a></span>FresnoType</h2>
  
116 <div·class="memitem">116 <div·class="memitem">
117 <div·class="memproto">117 <div·class="memproto">
118 ······<table·class="memname">118 ······<table·class="memname">
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137 </td></tr>137 </td></tr>
138 <tr><td·class="fieldname"><a·id="a0ea96a0013a56c61151734e6ff3d7fd6acfdfc5eb93353c59a6c5855e1edeb2ea"·name="a0ea96a0013a56c61151734e6ff3d7fd6acfdfc5eb93353c59a6c5855e1edeb2ea"></a>POLAR&#160;</td><td·class="fielddoc"><p·>Polar·(non·H-bonding)·atoms.·Defined·as:·\begin{itemize}·\item·nitrogens·with·no·hydrogens·attached·and·more·than·two·bonds·\item·phosphorus·\item·sulphurs·attached·to·one·or·more·polar·atoms·(including·H-bonding·atoms·and·excluding·polar·carbon·atoms·or·flourine·atoms)·\item·carbons·attached·to·two·or·more·polar·atoms·(including·H-bonding·atoms·and·excluding·polar·carbon·atoms·or·flourine·atoms)·\item·carbons·in·nitriles·or·carbonyls·\item·nitrogens·with·no·hydrogens·and·four·binds·\item·flourine·atoms·\end{itemize}·</p>138 <tr><td·class="fieldname"><a·id="a0ea96a0013a56c61151734e6ff3d7fd6acfdfc5eb93353c59a6c5855e1edeb2ea"·name="a0ea96a0013a56c61151734e6ff3d7fd6acfdfc5eb93353c59a6c5855e1edeb2ea"></a>POLAR&#160;</td><td·class="fielddoc"><p·>Polar·(non·H-bonding)·atoms.·Defined·as:·\begin{itemize}·\item·nitrogens·with·no·hydrogens·attached·and·more·than·two·bonds·\item·phosphorus·\item·sulphurs·attached·to·one·or·more·polar·atoms·(including·H-bonding·atoms·and·excluding·polar·carbon·atoms·or·flourine·atoms)·\item·carbons·attached·to·two·or·more·polar·atoms·(including·H-bonding·atoms·and·excluding·polar·carbon·atoms·or·flourine·atoms)·\item·carbons·in·nitriles·or·carbonyls·\item·nitrogens·with·no·hydrogens·and·four·binds·\item·flourine·atoms·\end{itemize}·</p>
139 </td></tr>139 </td></tr>
140 <tr><td·class="fieldname"><a·id="a0ea96a0013a56c61151734e6ff3d7fd6a9a73112c97b7142762bedbde7b99f510"·name="a0ea96a0013a56c61151734e6ff3d7fd6a9a73112c97b7142762bedbde7b99f510"></a>METAL&#160;</td><td·class="fielddoc"><p·>Metal·atoms.·</p>140 <tr><td·class="fieldname"><a·id="a0ea96a0013a56c61151734e6ff3d7fd6a9a73112c97b7142762bedbde7b99f510"·name="a0ea96a0013a56c61151734e6ff3d7fd6a9a73112c97b7142762bedbde7b99f510"></a>METAL&#160;</td><td·class="fielddoc"><p·>Metal·atoms.·</p>
141 </td></tr>141 </td></tr>
142 </table>142 </table>
  
143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/da8/a00230_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d1/da8/a00230_source.html">fresnoTypes.h</a>.</p>143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2e/a02051_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d4/d2e/a02051_source.html">fresnoTypes.h</a>.</p>
  
144 </div>144 </div>
145 </div>145 </div>
146 <a·id="a9c79930b34e3d77eec08ea0bd5369a42"·name="a9c79930b34e3d77eec08ea0bd5369a42"></a>146 <a·id="a9c79930b34e3d77eec08ea0bd5369a42"·name="a9c79930b34e3d77eec08ea0bd5369a42"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c79930b34e3d77eec08ea0bd5369a42">&#9670;&nbsp;</a></span>TypeAssignment</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c79930b34e3d77eec08ea0bd5369a42">&#9670;&nbsp;</a></span>TypeAssignment</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
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157 ······</table>157 ······</table>
158 </div><div·class="memdoc">158 </div><div·class="memdoc">
159 <table·class="fieldtable">159 <table·class="fieldtable">
160 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a9c79930b34e3d77eec08ea0bd5369a42a4d1048829bff9688402ceb055d4a7ca2"·name="a9c79930b34e3d77eec08ea0bd5369a42a4d1048829bff9688402ceb055d4a7ca2"></a>ASSIGNMENT__ELDRIDGE&#160;</td><td·class="fielddoc"></td></tr>160 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a9c79930b34e3d77eec08ea0bd5369a42a4d1048829bff9688402ceb055d4a7ca2"·name="a9c79930b34e3d77eec08ea0bd5369a42a4d1048829bff9688402ceb055d4a7ca2"></a>ASSIGNMENT__ELDRIDGE&#160;</td><td·class="fielddoc"></td></tr>
161 <tr><td·class="fieldname"><a·id="a9c79930b34e3d77eec08ea0bd5369a42a08278390a4ac29c2fd59d86616a2f5b5"·name="a9c79930b34e3d77eec08ea0bd5369a42a08278390a4ac29c2fd59d86616a2f5b5"></a>ASSIGNMENT__FRESNO&#160;</td><td·class="fielddoc"></td></tr>161 <tr><td·class="fieldname"><a·id="a9c79930b34e3d77eec08ea0bd5369a42a08278390a4ac29c2fd59d86616a2f5b5"·name="a9c79930b34e3d77eec08ea0bd5369a42a08278390a4ac29c2fd59d86616a2f5b5"></a>ASSIGNMENT__FRESNO&#160;</td><td·class="fielddoc"></td></tr>
162 </table>162 </table>
  
163 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/da8/a00230_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d1/da8/a00230_source.html">fresnoTypes.h</a>.</p>163 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2e/a02051_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d4/d2e/a02051_source.html">fresnoTypes.h</a>.</p>
  
164 </div>164 </div>
165 </div>165 </div>
166 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>166 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
167 <a·id="a331a427e313491ee4924aa4819912d2b"·name="a331a427e313491ee4924aa4819912d2b"></a>167 <a·id="a331a427e313491ee4924aa4819912d2b"·name="a331a427e313491ee4924aa4819912d2b"></a>
168 <h2·class="memtitle"><span·class="permalink"><a·href="#a331a427e313491ee4924aa4819912d2b">&#9670;&nbsp;</a></span>FresnoTypes()</h2>168 <h2·class="memtitle"><span·class="permalink"><a·href="#a331a427e313491ee4924aa4819912d2b">&#9670;&nbsp;</a></span>FresnoTypes()</h2>
  
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203 ··</td>203 ··</td>
204 ··<td·class="mlabels-right">204 ··<td·class="mlabels-right">
205 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>205 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
206 ··</tr>206 ··</tr>
207 </table>207 </table>
208 </div><div·class="memdoc">208 </div><div·class="memdoc">
  
209 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/da8/a00230_source.html#l00106">106</a>·of·file·<a·class="el"·href="../../d1/da8/a00230_source.html">fresnoTypes.h</a>.</p>209 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2e/a02051_source.html#l00106">106</a>·of·file·<a·class="el"·href="../../d4/d2e/a02051_source.html">fresnoTypes.h</a>.</p>
  
210 </div>210 </div>
211 </div>211 </div>
212 <h2·class="groupheader">Member·Function·Documentation</h2>212 <h2·class="groupheader">Member·Function·Documentation</h2>
213 <a·id="a0e1188bf176efbc8c09f06a5ee3f0798"·name="a0e1188bf176efbc8c09f06a5ee3f0798"></a>213 <a·id="a0e1188bf176efbc8c09f06a5ee3f0798"·name="a0e1188bf176efbc8c09f06a5ee3f0798"></a>
214 <h2·class="memtitle"><span·class="permalink"><a·href="#a0e1188bf176efbc8c09f06a5ee3f0798">&#9670;&nbsp;</a></span>getTypeMap()</h2>214 <h2·class="memtitle"><span·class="permalink"><a·href="#a0e1188bf176efbc8c09f06a5ee3f0798">&#9670;&nbsp;</a></span>getTypeMap()</h2>
  
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64 ··<div·class="headertitle"><div·class="title">mdsimulation.doc·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">CIFFile.h·File·Reference</div></div>
65 </div><!--header-->73 </div><!--header-->
66 <div·class="contents">74 <div·class="contents">
 75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d4/d1e/a00497_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;map&gt;</code><br·/>
 79 </div>
 80 <p><a·href="../../d3/d29/a00947_source.html">Go·to·the·source·code·of·this·file.</a></p>
 81 <table·class="memberdecls">
 82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
 83 Classes</h2></td></tr>
 84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d2a/a03850.html">BALL::CIFFile</a></td></tr>
 85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d83/a03854.html">BALL::CIFFile::Item</a></td></tr>
 87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d61/a03858.html">BALL::CIFFile::SaveFrame</a></td></tr>
 89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d31/a03862.html">BALL::CIFFile::Datacontent</a></td></tr>
 91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d06/a03866.html">BALL::CIFFile::Datablock</a></td></tr>
 93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/db8/a03870.html">BALL::CIFFile::State</a></td></tr>
 95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
 98 Namespaces</h2></td></tr>
 99 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
 100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 101 </table><table·class="memberdecls">
 102 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>
 103 Macros</h2></td></tr>
 104 <tr·class="memitem:ab45d0e74c5682e547513a407ac99df80"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d29/a00947.html#ab45d0e74c5682e547513a407ac99df80">CIFPARSER_LINE_LENGTH</a>&#160;&#160;&#160;2550</td></tr>
 105 <tr·class="separator:ab45d0e74c5682e547513a407ac99df80"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 106 </table>
 107 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 108 <a·id="ab45d0e74c5682e547513a407ac99df80"·name="ab45d0e74c5682e547513a407ac99df80"></a>
 109 <h2·class="memtitle"><span·class="permalink"><a·href="#ab45d0e74c5682e547513a407ac99df80">&#9670;&nbsp;</a></span>CIFPARSER_LINE_LENGTH</h2>
  
 110 <div·class="memitem">
 111 <div·class="memproto">
 112 ······<table·class="memname">
 113 ········<tr>
 114 ··········<td·class="memname">#define·CIFPARSER_LINE_LENGTH&#160;&#160;&#160;2550</td>
 115 ········</tr>
 116 ······</table>
 117 </div><div·class="memdoc">
  
 118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
  
 119 </div>
 120 </div>
67 </div><!--·contents·-->121 </div><!--·contents·-->
68 <!--·start·footer·part·-->122 <!--·start·footer·part·-->
69 <hr·class="footer"/><address·class="footer"><small>123 <hr·class="footer"/><address·class="footer"><small>
70 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4124 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 <a·href="../../de/dc0/a08423.html">List·of·all·members</a>··</div>71 <a·href="../../de/dc0/a08423.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::HTMLView·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::HTMLView·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/daa/a01577_source.html">BALL/VIEW/WIDGETS/HTMLView.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d61/a01130_source.html">BALL/VIEW/WIDGETS/HTMLView.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::HTMLView:</div>77 Inheritance·diagram·for·BALL::VIEW::HTMLView:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d3/d29/a08426.png"·usemap="#BALL::VIEW::HTMLView_map"·alt=""/>80 ··<img·src="../../d3/d29/a08426.png"·usemap="#BALL::VIEW::HTMLView_map"·alt=""/>
81 ··<map·id="BALL::VIEW::HTMLView_map"·name="BALL::VIEW::HTMLView_map">81 ··<map·id="BALL::VIEW::HTMLView_map"·name="BALL::VIEW::HTMLView_map">
82 <area·href="../../d7/df4/a20182.html"·alt="QWebEngineView"·shape="rect"·coords="0,0,148,24"/>82 <area·href="../../d7/df4/a20182.html"·alt="QWebEngineView"·shape="rect"·coords="0,0,148,24"/>
Offset 89, 15 lines modifiedOffset 89, 15 lines modified
89 <tr·class="memitem:a26c8267834036d44ab9ef14ee577e0d0"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d29/a08426.html#a26c8267834036d44ab9ef14ee577e0d0">HTMLView</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*parent=0)</td></tr>89 <tr·class="memitem:a26c8267834036d44ab9ef14ee577e0d0"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d29/a08426.html#a26c8267834036d44ab9ef14ee577e0d0">HTMLView</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*parent=0)</td></tr>
90 <tr·class="separator:a26c8267834036d44ab9ef14ee577e0d0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a26c8267834036d44ab9ef14ee577e0d0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 <tr·class="memitem:a924daa71b4233c2daf01f13e05c2c469"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d29/a08426.html#a924daa71b4233c2daf01f13e05c2c469">~HTMLView</a>·()·override=default</td></tr>91 <tr·class="memitem:a924daa71b4233c2daf01f13e05c2c469"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d29/a08426.html#a924daa71b4233c2daf01f13e05c2c469">~HTMLView</a>·()·override=default</td></tr>
92 <tr·class="separator:a924daa71b4233c2daf01f13e05c2c469"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:a924daa71b4233c2daf01f13e05c2c469"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table>93 </table>
94 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>94 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
95 <div·class="textblock">95 <div·class="textblock">
96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/daa/a01577_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d3/daa/a01577_source.html">HTMLView.h</a>.</p>96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d61/a01130_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d0/d61/a01130_source.html">HTMLView.h</a>.</p>
97 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>97 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
98 <a·id="a26c8267834036d44ab9ef14ee577e0d0"·name="a26c8267834036d44ab9ef14ee577e0d0"></a>98 <a·id="a26c8267834036d44ab9ef14ee577e0d0"·name="a26c8267834036d44ab9ef14ee577e0d0"></a>
99 <h2·class="memtitle"><span·class="permalink"><a·href="#a26c8267834036d44ab9ef14ee577e0d0">&#9670;&nbsp;</a></span>HTMLView()</h2>99 <h2·class="memtitle"><span·class="permalink"><a·href="#a26c8267834036d44ab9ef14ee577e0d0">&#9670;&nbsp;</a></span>HTMLView()</h2>
  
100 <div·class="memitem">100 <div·class="memitem">
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102 ······<table·class="memname">102 ······<table·class="memname">
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8 <title>BALL:·rGroupAssembler.h·File·Reference</title>8 <title>BALL:·directory.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9b1ba56f93d5f2332ce0debc4bc04e32.html">SYSTEM</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
 71 <a·href="#define-members">Macros</a>··</div>
71 ··<div·class="headertitle"><div·class="title">rGroupAssembler.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">directory.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;map&gt;</code><br·/> 
75 <code>#include·&lt;vector&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../de/d34/a20344_source.html">BALL/KERNEL/forEach.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d8/db9/a00725_source.html">BALL/STRUCTURE/smilesParser.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d5/db5/a00374_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
79 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
81 <code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>78 <code>#include·&lt;<a·class="el"·href="../../d5/de8/a00749_source.html">BALL/SYSTEM/fileSystem.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;cstdio&gt;</code><br·/>
 80 <code>#include·&lt;BALL/SYSTEM/directory.iC&gt;</code><br·/>
82 </div>81 </div>
83 <p><a·href="../../d3/d2c/a00764_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../d3/d2c/a00764_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">83 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>85 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd2/a07090.html">BALL::RGroupAssembler</a></td></tr>86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d33/a07342.html">BALL::Directory</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">88 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
91 Namespaces</h2></td></tr>90 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 93 </table><table·class="memberdecls">
 94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>
 95 Macros</h2></td></tr>
 96 <tr·class="memitem:a5fdc7facea201bfce4ad308105f88d0c"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d2c/a00764.html#a5fdc7facea201bfce4ad308105f88d0c">INVALID_HANDLE_VALUE</a>&#160;&#160;&#160;0</td></tr>
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94 </table>98 </table>
 99 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 100 <a·id="a5fdc7facea201bfce4ad308105f88d0c"·name="a5fdc7facea201bfce4ad308105f88d0c"></a>
 101 <h2·class="memtitle"><span·class="permalink"><a·href="#a5fdc7facea201bfce4ad308105f88d0c">&#9670;&nbsp;</a></span>INVALID_HANDLE_VALUE</h2>
  
 102 <div·class="memitem">
 103 <div·class="memproto">
 104 ······<table·class="memname">
 105 ········<tr>
 106 ··········<td·class="memname">#define·INVALID_HANDLE_VALUE&#160;&#160;&#160;0</td>
 107 ········</tr>
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 109 </div><div·class="memdoc">
  
 110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d2c/a00764_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d3/d2c/a00764_source.html">directory.h</a>.</p>
  
 111 </div>
 112 </div>
95 </div><!--·contents·-->113 </div><!--·contents·-->
96 <!--·start·footer·part·-->114 <!--·start·footer·part·-->
97 <hr·class="footer"/><address·class="footer"><small>115 <hr·class="footer"/><address·class="footer"><small>
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65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">visitor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">EFShiftProcessor.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../dc/df9/a00554_source.html">BALL/KERNEL/expression.h</a>&gt;</code><br·/>
75 </div>76 </div>
76 <p><a·href="../../d3/d2d/a01625_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d3/d2d/a01625_source.html">Go·to·the·source·code·of·this·file.</a></p>
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72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SDWidget::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SDWidget::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../d3/d31/a08542.html"·title="Default·values·for·options.">Default</a>·values·for·options.··75 <p><a·class="el"·href="../../d3/d31/a08542.html"·title="Default·values·for·options.">Default</a>·values·for·options.··
76 ·<a·href="../../d3/d31/a08542.html#details">More...</a></p>76 ·<a·href="../../d3/d31/a08542.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d5/d10/a01571_source.html">BALL/VIEW/WIDGETS/SDWidget.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d1/dae/a01136_source.html">BALL/VIEW/WIDGETS/SDWidget.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
80 Static·Public·Attributes</h2></td></tr>80 Static·Public·Attributes</h2></td></tr>
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83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock"><p·><a·class="el"·href="../../d3/d31/a08542.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>85 <div·class="textblock"><p·><a·class="el"·href="../../d3/d31/a08542.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>
  
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d2/dc5/a07795.html">List·of·all·members</a>··</div>70 <a·href="../../d2/dc5/a07795.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ConnectionObject·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../df/d4a/a02204.html">Kernel</a>·&raquo;·<a·class="el"·href="../../d5/dfe/a02206.html">Widget·connectivity·and·message·queuing</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ConnectionObject·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../df/d4a/a02204.html">Kernel</a>·&raquo;·<a·class="el"·href="../../d5/dfe/a02206.html">Widget·connectivity·and·message·queuing</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d2/df3/a01085_source.html">BALL/VIEW/KERNEL/connectionObject.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d6/d8d/a01007_source.html">BALL/VIEW/KERNEL/connectionObject.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::ConnectionObject:</div>76 Inheritance·diagram·for·BALL::VIEW::ConnectionObject:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d3/d43/a07798.png"·usemap="#BALL::VIEW::ConnectionObject_map"·alt=""/>79 ··<img·src="../../d3/d43/a07798.png"·usemap="#BALL::VIEW::ConnectionObject_map"·alt=""/>
80 ··<map·id="BALL::VIEW::ConnectionObject_map"·name="BALL::VIEW::ConnectionObject_map">80 ··<map·id="BALL::VIEW::ConnectionObject_map"·name="BALL::VIEW::ConnectionObject_map">
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148 <tr·class="memitem:aca7060940415ccf193a13487f1b0a835"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d43/a07798.html#aca7060940415ccf193a13487f1b0a835">onNotify_</a>·(<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·*message)</td></tr>148 <tr·class="memitem:aca7060940415ccf193a13487f1b0a835"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d43/a07798.html#aca7060940415ccf193a13487f1b0a835">onNotify_</a>·(<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·*message)</td></tr>
149 <tr·class="separator:aca7060940415ccf193a13487f1b0a835"><td·class="memSeparator"·colspan="2">&#160;</td></tr>149 <tr·class="separator:aca7060940415ccf193a13487f1b0a835"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
150 </table>150 </table>
151 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>151 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
152 <div·class="textblock"><p·>Base·class·for·all·widgets·and·dialogs·that·handles·communication·through·message·posting.·There·are·methods·that·handle·the·registering·process·between·the·classes·that·should·be·connected·as·well·as·notifying·methods·that·are·responsible·for·posting·messages.·The·registering·process·will·be·handled·by·the·interface·of·every·dialog·and·widget.·In·this·process·a·tree·will·be·created·that·connects·all·connectionObject·objects.·See·<a·class="el"·href="../../d0/d8a/a07922.html">ModularWidget</a>·for·further·information·concerning·widget·and·dialog·interface·definition.·The·widgets·communicate·with·the·help·of·the·method·notify_.·With·this·method·a·message·can·be·sent·through·the·connectionObject·tree.·One·connectionObject·will·be·the·root·of·this·tree·and·therefore·responsible·for·handling·and·sending·all·incoming·messages.·A·<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·will·first·be·sent·to·the·root·of·the·connectionObject·tree·and·then·will·travers·its·way·down·to·every·leaf·excluding·the·one·that·had·sent·the·original·message.·If·an·incoming·message·triggers·a·reply·message·(in·the·onNotify·method)·that·new·message·will·be·stored·in·a·message·queue·in·the·root·of·the·tree·and·executed·if·the·first·message·has·traversed·all·leafs·of·the·tree.·Therefore·a·message·should·always·be·created·with·the·new·command·and·the·flag·deletable·must·be·set·to·<b>·true</b>.·If·a·message·if·statically·created·in·the·<b>·onNotify</b>·method·there·is·the·possibility·that·the·message·is·already·destroyed·when·it·should·be·processed.·</p>152 <div·class="textblock"><p·>Base·class·for·all·widgets·and·dialogs·that·handles·communication·through·message·posting.·There·are·methods·that·handle·the·registering·process·between·the·classes·that·should·be·connected·as·well·as·notifying·methods·that·are·responsible·for·posting·messages.·The·registering·process·will·be·handled·by·the·interface·of·every·dialog·and·widget.·In·this·process·a·tree·will·be·created·that·connects·all·connectionObject·objects.·See·<a·class="el"·href="../../d0/d8a/a07922.html">ModularWidget</a>·for·further·information·concerning·widget·and·dialog·interface·definition.·The·widgets·communicate·with·the·help·of·the·method·notify_.·With·this·method·a·message·can·be·sent·through·the·connectionObject·tree.·One·connectionObject·will·be·the·root·of·this·tree·and·therefore·responsible·for·handling·and·sending·all·incoming·messages.·A·<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·will·first·be·sent·to·the·root·of·the·connectionObject·tree·and·then·will·travers·its·way·down·to·every·leaf·excluding·the·one·that·had·sent·the·original·message.·If·an·incoming·message·triggers·a·reply·message·(in·the·onNotify·method)·that·new·message·will·be·stored·in·a·message·queue·in·the·root·of·the·tree·and·executed·if·the·first·message·has·traversed·all·leafs·of·the·tree.·Therefore·a·message·should·always·be·created·with·the·new·command·and·the·flag·deletable·must·be·set·to·<b>·true</b>.·If·a·message·if·statically·created·in·the·<b>·onNotify</b>·method·there·is·the·possibility·that·the·message·is·already·destroyed·when·it·should·be·processed.·</p>
  
153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/df3/a01085_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d2/df3/a01085_source.html">connectionObject.h</a>.</p>153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8d/a01007_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d6/d8d/a01007_source.html">connectionObject.h</a>.</p>
154 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>154 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
155 <a·id="aa63cb45800a41bcba93c92cb091c4871"·name="aa63cb45800a41bcba93c92cb091c4871"></a>155 <a·id="aa63cb45800a41bcba93c92cb091c4871"·name="aa63cb45800a41bcba93c92cb091c4871"></a>
156 <h2·class="memtitle"><span·class="permalink"><a·href="#aa63cb45800a41bcba93c92cb091c4871">&#9670;&nbsp;</a></span>ConnectionObject()</h2>156 <h2·class="memtitle"><span·class="permalink"><a·href="#aa63cb45800a41bcba93c92cb091c4871">&#9670;&nbsp;</a></span>ConnectionObject()</h2>
  
157 <div·class="memitem">157 <div·class="memitem">
158 <div·class="memproto">158 <div·class="memproto">
159 ······<table·class="memname">159 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../dd/d63/a07083.html">List·of·all·members</a>··</div>71 <a·href="../../dd/d63/a07083.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ResidueRotamerSet::RotamerProbabilityGreaterThan_·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ResidueRotamerSet::RotamerProbabilityGreaterThan_·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d6/dc0/a00734_source.html">BALL/STRUCTURE/residueRotamerSet.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/d66/a01856_source.html">BALL/STRUCTURE/residueRotamerSet.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::ResidueRotamerSet::RotamerProbabilityGreaterThan_:</div>77 Inheritance·diagram·for·BALL::ResidueRotamerSet::RotamerProbabilityGreaterThan_:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d3/d45/a07086.png"·alt=""/>80 ··<img·src="../../d3/d45/a07086.png"·alt=""/>
81 ·</div></div>81 ·</div></div>
82 <table·class="memberdecls">82 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
84 Public·Member·Functions</h2></td></tr>84 Public·Member·Functions</h2></td></tr>
85 <tr·class="memitem:aad9b1064d59c135b68b09898dfe69ac8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d45/a07086.html#aad9b1064d59c135b68b09898dfe69ac8">operator()</a>·(const·<a·class="el"·href="../../d3/d86/a07078.html">Rotamer</a>·&amp;r1,·const·<a·class="el"·href="../../d3/d86/a07078.html">Rotamer</a>·&amp;r2)</td></tr>85 <tr·class="memitem:aad9b1064d59c135b68b09898dfe69ac8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d45/a07086.html#aad9b1064d59c135b68b09898dfe69ac8">operator()</a>·(const·<a·class="el"·href="../../d3/d86/a07078.html">Rotamer</a>·&amp;r1,·const·<a·class="el"·href="../../d3/d86/a07078.html">Rotamer</a>·&amp;r2)</td></tr>
86 <tr·class="separator:aad9b1064d59c135b68b09898dfe69ac8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:aad9b1064d59c135b68b09898dfe69ac8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table>87 </table>
88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
89 <div·class="textblock">89 <div·class="textblock">
90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dc0/a00734_source.html#l00257">257</a>·of·file·<a·class="el"·href="../../d6/dc0/a00734_source.html">residueRotamerSet.h</a>.</p>90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d66/a01856_source.html#l00257">257</a>·of·file·<a·class="el"·href="../../da/d66/a01856_source.html">residueRotamerSet.h</a>.</p>
91 </div><h2·class="groupheader">Member·Function·Documentation</h2>91 </div><h2·class="groupheader">Member·Function·Documentation</h2>
92 <a·id="aad9b1064d59c135b68b09898dfe69ac8"·name="aad9b1064d59c135b68b09898dfe69ac8"></a>92 <a·id="aad9b1064d59c135b68b09898dfe69ac8"·name="aad9b1064d59c135b68b09898dfe69ac8"></a>
93 <h2·class="memtitle"><span·class="permalink"><a·href="#aad9b1064d59c135b68b09898dfe69ac8">&#9670;&nbsp;</a></span>operator()()</h2>93 <h2·class="memtitle"><span·class="permalink"><a·href="#aad9b1064d59c135b68b09898dfe69ac8">&#9670;&nbsp;</a></span>operator()()</h2>
  
94 <div·class="memitem">94 <div·class="memitem">
95 <div·class="memproto">95 <div·class="memproto">
96 <table·class="mlabels">96 <table·class="mlabels">
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120 ··</td>120 ··</td>
121 ··<td·class="mlabels-right">121 ··<td·class="mlabels-right">
122 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>122 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
123 ··</tr>123 ··</tr>
124 </table>124 </table>
125 </div><div·class="memdoc">125 </div><div·class="memdoc">
  
126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dc0/a00734_source.html#l00260">260</a>·of·file·<a·class="el"·href="../../d6/dc0/a00734_source.html">residueRotamerSet.h</a>.</p>126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d66/a01856_source.html#l00260">260</a>·of·file·<a·class="el"·href="../../da/d66/a01856_source.html">residueRotamerSet.h</a>.</p>
  
127 </div>127 </div>
128 </div>128 </div>
129 </div><!--·contents·-->129 </div><!--·contents·-->
130 <!--·start·footer·part·-->130 <!--·start·footer·part·-->
131 <hr·class="footer"/><address·class="footer"><small>131 <hr·class="footer"/><address·class="footer"><small>
132 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4132 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../de/d69/a04679.html">List·of·all·members</a>··</div>71 <a·href="../../de/d69/a04679.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::SecondaryStructurePredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SecondaryStructurePredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::SecondaryStructurePredicate:</div>77 Inheritance·diagram·for·BALL::SecondaryStructurePredicate:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d3/d49/a04682.png"·usemap="#BALL::SecondaryStructurePredicate_map"·alt=""/>80 ··<img·src="../../d3/d49/a04682.png"·usemap="#BALL::SecondaryStructurePredicate_map"·alt=""/>
81 ··<map·id="BALL::SecondaryStructurePredicate_map"·name="BALL::SecondaryStructurePredicate_map">81 ··<map·id="BALL::SecondaryStructurePredicate_map"·name="BALL::SecondaryStructurePredicate_map">
82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,217,136"/>82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,217,136"/>
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117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Predicate·for·matching·secondary·structures.·Returns·<code>true</code>,·if·the·name·of·the·secondary·structure·that·the·atom·belongs·to·matches·exactly·the·argument·of·this·predicate.·</p>122 <div·class="textblock"><p·>Predicate·for·matching·secondary·structures.·Returns·<code>true</code>,·if·the·name·of·the·secondary·structure·that·the·atom·belongs·to·matches·exactly·the·argument·of·this·predicate.·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00222">222</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00222">222</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
125 <a·id="ae9b840010a0e5ef52d1e1a327911b8e4"·name="ae9b840010a0e5ef52d1e1a327911b8e4"></a>125 <a·id="ae9b840010a0e5ef52d1e1a327911b8e4"·name="ae9b840010a0e5ef52d1e1a327911b8e4"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#ae9b840010a0e5ef52d1e1a327911b8e4">&#9670;&nbsp;</a></span>operator()()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#ae9b840010a0e5ef52d1e1a327911b8e4">&#9670;&nbsp;</a></span>operator()()</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
128 <div·class="memproto">128 <div·class="memproto">
129 <table·class="mlabels">129 <table·class="mlabels">
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70 <a·href="#pub-slots">Public·Slots</a>·&#124;70 <a·href="#pub-slots">Public·Slots</a>·&#124;
71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="../../db/dfa/a07735.html">List·of·all·members</a>··</div>72 <a·href="../../db/dfa/a07735.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::StageSettings·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::StageSettings·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d2/d68/a01295_source.html">BALL/VIEW/DIALOGS/stageSettings.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d5d/a01202_source.html">BALL/VIEW/DIALOGS/stageSettings.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::StageSettings:</div>78 Inheritance·diagram·for·BALL::VIEW::StageSettings:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d3/d49/a07738.png"·usemap="#BALL::VIEW::StageSettings_map"·alt=""/>81 ··<img·src="../../d3/d49/a07738.png"·usemap="#BALL::VIEW::StageSettings_map"·alt=""/>
82 ··<map·id="BALL::VIEW::StageSettings_map"·name="BALL::VIEW::StageSettings_map">82 ··<map·id="BALL::VIEW::StageSettings_map"·name="BALL::VIEW::StageSettings_map">
83 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,186,24"/>83 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,186,24"/>
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232 <div·class="textblock"><p·>Dialog·for·the·<a·class="el"·href="../../d4/d2a/a07966.html">Stage</a>·setup.·Following·options·can·be·set:</p><ul>232 <div·class="textblock"><p·>Dialog·for·the·<a·class="el"·href="../../d4/d2a/a07966.html">Stage</a>·setup.·Following·options·can·be·set:</p><ul>
233 <li>background·color·of·the·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a></li>233 <li>background·color·of·the·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a></li>
234 <li>if·a·coordinate·system·is·shown·in·the·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a></li>234 <li>if·a·coordinate·system·is·shown·in·the·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a></li>
235 <li>mouse·sensitivity·in·the·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a></li>235 <li>mouse·sensitivity·in·the·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a></li>
236 <li>mouse·wheel·sensitivity·in·the·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a>·</li>236 <li>mouse·wheel·sensitivity·in·the·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a>·</li>
237 </ul>237 </ul>
  
238 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d68/a01295_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d2/d68/a01295_source.html">stageSettings.h</a>.</p>238 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d5d/a01202_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d4/d5d/a01202_source.html">stageSettings.h</a>.</p>
239 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>239 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
240 <a·id="a9de7c3bbe4716e6207521c27ac6e7755"·name="a9de7c3bbe4716e6207521c27ac6e7755"></a>240 <a·id="a9de7c3bbe4716e6207521c27ac6e7755"·name="a9de7c3bbe4716e6207521c27ac6e7755"></a>
241 <h2·class="memtitle"><span·class="permalink"><a·href="#a9de7c3bbe4716e6207521c27ac6e7755">&#9670;&nbsp;</a></span>StageSettings()</h2>241 <h2·class="memtitle"><span·class="permalink"><a·href="#a9de7c3bbe4716e6207521c27ac6e7755">&#9670;&nbsp;</a></span>StageSettings()</h2>
  
242 <div·class="memitem">242 <div·class="memitem">
243 <div·class="memproto">243 <div·class="memproto">
244 ······<table·class="memname">244 ······<table·class="memname">
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295 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>295 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
296 ··</tr>296 ··</tr>
297 </table>297 </table>
298 </div><div·class="memdoc">298 </div><div·class="memdoc">
  
299 <p>Destructor.·</p>299 <p>Destructor.·</p>
  
300 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d68/a01295_source.html#l00063">63</a>·of·file·<a·class="el"·href="../../d2/d68/a01295_source.html">stageSettings.h</a>.</p>300 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d5d/a01202_source.html#l00063">63</a>·of·file·<a·class="el"·href="../../d4/d5d/a01202_source.html">stageSettings.h</a>.</p>
  
301 </div>301 </div>
302 </div>302 </div>
303 <h2·class="groupheader">Member·Function·Documentation</h2>303 <h2·class="groupheader">Member·Function·Documentation</h2>
304 <a·id="a9a78c27cca02541e768752d210c775e3"·name="a9a78c27cca02541e768752d210c775e3"></a>304 <a·id="a9a78c27cca02541e768752d210c775e3"·name="a9a78c27cca02541e768752d210c775e3"></a>
305 <h2·class="memtitle"><span·class="permalink"><a·href="#a9a78c27cca02541e768752d210c775e3">&#9670;&nbsp;</a></span>apply()</h2>305 <h2·class="memtitle"><span·class="permalink"><a·href="#a9a78c27cca02541e768752d210c775e3">&#9670;&nbsp;</a></span>apply()</h2>
  
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71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;72 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
73 <a·href="../../db/dcd/a08563.html">List·of·all·members</a>··</div>73 <a·href="../../db/dcd/a08563.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TextEditorWidget·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TextEditorWidget·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d4/d51/a01520_source.html">BALL/VIEW/WIDGETS/textEditorWidget.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../dd/d09/a01118_source.html">BALL/VIEW/WIDGETS/textEditorWidget.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::VIEW::TextEditorWidget:</div>79 Inheritance·diagram·for·BALL::VIEW::TextEditorWidget:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d3/d4a/a08566.png"·usemap="#BALL::VIEW::TextEditorWidget_map"·alt=""/>82 ··<img·src="../../d3/d4a/a08566.png"·usemap="#BALL::VIEW::TextEditorWidget_map"·alt=""/>
83 ··<map·id="BALL::VIEW::TextEditorWidget_map"·name="BALL::VIEW::TextEditorWidget_map">83 ··<map·id="BALL::VIEW::TextEditorWidget_map"·name="BALL::VIEW::TextEditorWidget_map">
84 <area·href="../../d6/d33/a20322.html"·alt="QPlainTextEdit"·shape="rect"·coords="0,0,180,24"/>84 <area·href="../../d6/d33/a20322.html"·alt="QPlainTextEdit"·shape="rect"·coords="0,0,180,24"/>
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104 Protected·Member·Functions</h2></td></tr>104 Protected·Member·Functions</h2></td></tr>
105 <tr·class="memitem:a74a65f813729e59ef4ec87406fd71bd7"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d4a/a08566.html#a74a65f813729e59ef4ec87406fd71bd7">resizeEvent</a>·(QResizeEvent·*event)</td></tr>105 <tr·class="memitem:a74a65f813729e59ef4ec87406fd71bd7"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d4a/a08566.html#a74a65f813729e59ef4ec87406fd71bd7">resizeEvent</a>·(QResizeEvent·*event)</td></tr>
106 <tr·class="separator:a74a65f813729e59ef4ec87406fd71bd7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>106 <tr·class="separator:a74a65f813729e59ef4ec87406fd71bd7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
107 </table>107 </table>
108 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>108 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
109 <div·class="textblock"><p·>This·widget·can·be·used·for·displaying·or·editing·text.·This·class·is·heavily·based·on·the·Qt·CodeEditor·example.·</p>109 <div·class="textblock"><p·>This·widget·can·be·used·for·displaying·or·editing·text.·This·class·is·heavily·based·on·the·Qt·CodeEditor·example.·</p>
  
110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d51/a01520_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d4/d51/a01520_source.html">textEditorWidget.h</a>.</p>110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">textEditorWidget.h</a>.</p>
111 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>111 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
112 <a·id="a5cb5edb0f1aa6fb7f3fc1023b7f1a2ff"·name="a5cb5edb0f1aa6fb7f3fc1023b7f1a2ff"></a>112 <a·id="a5cb5edb0f1aa6fb7f3fc1023b7f1a2ff"·name="a5cb5edb0f1aa6fb7f3fc1023b7f1a2ff"></a>
113 <h2·class="memtitle"><span·class="permalink"><a·href="#a5cb5edb0f1aa6fb7f3fc1023b7f1a2ff">&#9670;&nbsp;</a></span>TextEditorWidget()</h2>113 <h2·class="memtitle"><span·class="permalink"><a·href="#a5cb5edb0f1aa6fb7f3fc1023b7f1a2ff">&#9670;&nbsp;</a></span>TextEditorWidget()</h2>
  
114 <div·class="memitem">114 <div·class="memitem">
115 <div·class="memproto">115 <div·class="memproto">
116 ······<table·class="memname">116 ······<table·class="memname">
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../dd/deb/a08171.html">List·of·all·members</a>··</div>70 <a·href="../../dd/deb/a08171.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Line·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Line·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d9/d6f/a01445_source.html">BALL/VIEW/PRIMITIVES/line.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d7/d1c/a01397_source.html">BALL/VIEW/PRIMITIVES/line.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::Line:</div>76 Inheritance·diagram·for·BALL::VIEW::Line:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d3/d4c/a08174.png"·usemap="#BALL::VIEW::Line_map"·alt=""/>79 ··<img·src="../../d3/d4c/a08174.png"·usemap="#BALL::VIEW::Line_map"·alt=""/>
80 ··<map·id="BALL::VIEW::Line_map"·name="BALL::VIEW::Line_map">80 ··<map·id="BALL::VIEW::Line_map"·name="BALL::VIEW::Line_map">
81 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>81 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>
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219 <li>color·-·the·color·of·the·line</li>219 <li>color·-·the·color·of·the·line</li>
220 <li>vertex1·-·the·first·vertex·of·the·line</li>220 <li>vertex1·-·the·first·vertex·of·the·line</li>
221 <li>vertex2·-·the·second·vertex·of·the·line·<dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../d3/d4c/a08174.html">Line</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·<a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</dd></dl>221 <li>vertex2·-·the·second·vertex·of·the·line·<dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../d3/d4c/a08174.html">Line</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·<a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</dd></dl>
222 <dl·class="section·user"><dt></dt><dd></dd></dl>222 <dl·class="section·user"><dt></dt><dd></dd></dl>
223 </li>223 </li>
224 </ul>224 </ul>
  
225 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d6f/a01445_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d9/d6f/a01445_source.html">line.h</a>.</p>225 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d1c/a01397_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d7/d1c/a01397_source.html">line.h</a>.</p>
226 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>226 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
227 <a·id="a514a4f45b0167ff1f5351474a003f573"·name="a514a4f45b0167ff1f5351474a003f573"></a>227 <a·id="a514a4f45b0167ff1f5351474a003f573"·name="a514a4f45b0167ff1f5351474a003f573"></a>
228 <h2·class="memtitle"><span·class="permalink"><a·href="#a514a4f45b0167ff1f5351474a003f573">&#9670;&nbsp;</a></span>Line()·<span·class="overload">[1/2]</span></h2>228 <h2·class="memtitle"><span·class="permalink"><a·href="#a514a4f45b0167ff1f5351474a003f573">&#9670;&nbsp;</a></span>Line()·<span·class="overload">[1/2]</span></h2>
  
229 <div·class="memitem">229 <div·class="memitem">
230 <div·class="memproto">230 <div·class="memproto">
231 ······<table·class="memname">231 ······<table·class="memname">
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4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>
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7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·gpModel.h·File·Reference</title>8 <title>BALL:·gridedMM.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">gpModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">gridedMM.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/dbe/a02084_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d8e/a01979_source.html">BALL/SCORING/COMMON/diffGridBasedScoring.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/de8/a02006_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d4/d51/a00017_source.html">BALL/MOLMEC/AMBER/amber.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d9/d95/a02075_source.html">BALL/SCORING/COMPONENTS/electrostatic.h</a>&gt;</code><br·/>
76 </div>77 </div>
77 <p><a·href="../../d3/d4e/a01991_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d3/d4e/a01991_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">79 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>81 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dcf/a05722.html">BALL::QSAR::GPModel</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d59/a06394.html">BALL::GridedMM</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table><table·class="memberdecls">84 </table><table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
85 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 </table>89 </table>
91 </div><!--·contents·-->90 </div><!--·contents·-->
92 <!--·start·footer·part·-->91 <!--·start·footer·part·-->
93 <hr·class="footer"/><address·class="footer"><small>92 <hr·class="footer"/><address·class="footer"><small>
94 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.493 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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96 </body>95 </body>
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7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·rotamerLibrary.h·File·Reference</title>8 <title>BALL:·system.doc·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath"> 
63 ··<ul> 
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul> 
65 </div> 
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67 <div·class="header">63 <div·class="header">
68 ··<div·class="summary"> 
69 <a·href="#nested-classes">Classes</a>·&#124; 
70 <a·href="#namespaces">Namespaces</a>··</div> 
71 ··<div·class="headertitle"><div·class="title">rotamerLibrary.h·File·Reference</div></div>64 ··<div·class="headertitle"><div·class="title">system.doc·File·Reference</div></div>
72 </div><!--header-->65 </div><!--header-->
73 <div·class="contents">66 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/STRUCTURE/fragmentDB.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../d6/dc0/a00734_source.html">BALL/STRUCTURE/residueRotamerSet.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;BALL/DATATYPE/hasMap.h&gt;</code><br·/> 
77 </div> 
78 <p><a·href="../../d3/d4f/a00761_source.html">Go·to·the·source·code·of·this·file.</a></p> 
79 <table·class="memberdecls"> 
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
81 Classes</h2></td></tr> 
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dff/a07114.html">BALL::RotamerLibrary</a></td></tr> 
83 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d3/d86/a07078.html">Rotamer</a>·Library·Class.··<a·href="../../d4/dff/a07114.html#details">More...</a><br·/></td></tr> 
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
85 </table><table·class="memberdecls"> 
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
87 Namespaces</h2></td></tr> 
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
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72 <a·href="../../d4/d2c/a06895.html">List·of·all·members</a>··</div>72 <a·href="../../d4/d2c/a06895.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::TransformationProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::TransformationProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d5/dae/a00767_source.html">BALL/STRUCTURE/geometricTransformations.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d5/dd6/a01820_source.html">BALL/STRUCTURE/geometricTransformations.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::TransformationProcessor:</div>78 Inheritance·diagram·for·BALL::TransformationProcessor:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d3/d4f/a06898.png"·usemap="#BALL::TransformationProcessor_map"·alt=""/>81 ··<img·src="../../d3/d4f/a06898.png"·usemap="#BALL::TransformationProcessor_map"·alt=""/>
82 ··<map·id="BALL::TransformationProcessor_map"·name="BALL::TransformationProcessor_map">82 ··<map·id="BALL::TransformationProcessor_map"·name="BALL::TransformationProcessor_map">
83 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>83 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>
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132 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>132 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
133 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>133 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
134 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>134 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
135 </table>135 </table>
136 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>136 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
137 <div·class="textblock"><p·>Transformation·applicator.·This·applicator·executes·a·transformation·on·each·atom·of·a·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object.·The·transformation·may·be·given·in·the·constructor,·or·by·calling·setTransformation.·Applying·the·applicator·to·a·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object·will·multiply·the·coordinates·of·each·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object·(or·objects·derived·from·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>)·with·the·given·transformation·matrix.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>137 <div·class="textblock"><p·>Transformation·applicator.·This·applicator·executes·a·transformation·on·each·atom·of·a·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object.·The·transformation·may·be·given·in·the·constructor,·or·by·calling·setTransformation.·Applying·the·applicator·to·a·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object·will·multiply·the·coordinates·of·each·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object·(or·objects·derived·from·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>)·with·the·given·transformation·matrix.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dae/a00767_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../d5/dae/a00767_source.html">geometricTransformations.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dd6/a01820_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../d5/dd6/a01820_source.html">geometricTransformations.h</a>.</p>
139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
140 <a·id="af9533ecfc767406a00ba4340e3903376"·name="af9533ecfc767406a00ba4340e3903376"></a>140 <a·id="af9533ecfc767406a00ba4340e3903376"·name="af9533ecfc767406a00ba4340e3903376"></a>
141 <h2·class="memtitle"><span·class="permalink"><a·href="#af9533ecfc767406a00ba4340e3903376">&#9670;&nbsp;</a></span>TransformationProcessor()·<span·class="overload">[1/2]</span></h2>141 <h2·class="memtitle"><span·class="permalink"><a·href="#af9533ecfc767406a00ba4340e3903376">&#9670;&nbsp;</a></span>TransformationProcessor()·<span·class="overload">[1/2]</span></h2>
  
142 <div·class="memitem">142 <div·class="memitem">
143 <div·class="memproto">143 <div·class="memproto">
144 ······<table·class="memname">144 ······<table·class="memname">
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273 ··</td>273 ··</td>
274 ··<td·class="mlabels-right">274 ··<td·class="mlabels-right">
275 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>275 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
276 ··</tr>276 ··</tr>
277 </table>277 </table>
278 </div><div·class="memdoc">278 </div><div·class="memdoc">
  
279 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dae/a00767_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../d5/dae/a00767_source.html">geometricTransformations.h</a>.</p>279 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dd6/a01820_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../d5/dd6/a01820_source.html">geometricTransformations.h</a>.</p>
  
280 </div>280 </div>
281 </div>281 </div>
282 </div><!--·contents·-->282 </div><!--·contents·-->
283 <!--·start·footer·part·-->283 <!--·start·footer·part·-->
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_ad1580e676f9584aa3f77966a7e41e8d.html">AMBER</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
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 71 <a·href="#define-members">Macros</a>··</div>
71 ··<div·class="headertitle"><div·class="title">INIFile.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">amberTorsion.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d17/a01937_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../dc/de6/a00167_source.html">BALL/MOLMEC/PARAMETER/cosineTorsion.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../db/dab/a00089_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d3/d8b/a00059_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>
76 </div>79 </div>
77 <p><a·href="../../d3/d52/a00023_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../d3/d52/a00023_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">81 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>83 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d59/a03926.html">BALL::INIFile</a></td></tr>84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d1b/a04950.html">BALL::AmberTorsion</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 93 </table><table·class="memberdecls">
 94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>
 95 Macros</h2></td></tr>
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 98 <tr·class="separator:a5c9b77f9707286e2c633ddb8ae8a6173"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table>99 </table>
 100 <h2·class="groupheader">Macro·Definition·Documentation</h2>
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 102 <h2·class="memtitle"><span·class="permalink"><a·href="#a5c9b77f9707286e2c633ddb8ae8a6173">&#9670;&nbsp;</a></span>AMBER_TORSIONS_ENABLED</h2>
  
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 105 ······<table·class="memname">
 106 ········<tr>
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 110 </div><div·class="memdoc">
  
 111 <p>flag·to·enable·Torsions·</p>
  
 112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d52/a00023_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d3/d52/a00023_source.html">amberTorsion.h</a>.</p>
  
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">deviceEvent.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">dockDialog.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/df7/a20389_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
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 76 <code>#include·&lt;<a·class="el"·href="../../de/de1/a00065_source.html">BALL/MOLMEC/COMMON/radiusRuleProcessor.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/MOLMEC/COMMON/chargeRuleProcessor.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../da/d18/a01850_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code><br·/>
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77 <p><a·href="../../d3/d53/a01262_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../d3/d53/a01262_source.html">Go·to·the·source·code·of·this·file.</a></p>
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72 ··<div·class="headertitle"><div·class="title">BALL::QuadraticAngleBend::Values·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QuadraticAngleBend::Values·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../df/d0e/a00800_source.html">BALL/MOLMEC/PARAMETER/quadraticAngleBend.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d6/db8/a00158_source.html">BALL/MOLMEC/PARAMETER/quadraticAngleBend.h</a>&gt;</code></p>
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112 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::QuadraticAngleBend::Values::theta0</td>112 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::QuadraticAngleBend::Values::theta0</td>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="../../de/d5d/a08415.html">List·of·all·members</a>··</div>72 <a·href="../../de/d5d/a08415.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::HTMLPage·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::HTMLPage·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d8/daf/a01550_source.html">BALL/VIEW/WIDGETS/HTMLPage.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d6/dea/a01094_source.html">BALL/VIEW/WIDGETS/HTMLPage.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::HTMLPage:</div>78 Inheritance·diagram·for·BALL::VIEW::HTMLPage:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d3/d58/a08418.png"·usemap="#BALL::VIEW::HTMLPage_map"·alt=""/>81 ··<img·src="../../d3/d58/a08418.png"·usemap="#BALL::VIEW::HTMLPage_map"·alt=""/>
82 ··<map·id="BALL::VIEW::HTMLPage_map"·name="BALL::VIEW::HTMLPage_map">82 ··<map·id="BALL::VIEW::HTMLPage_map"·name="BALL::VIEW::HTMLPage_map">
83 <area·href="../../dd/dc5/a20178.html"·alt="QWebEnginePage"·shape="rect"·coords="0,0,149,24"/>83 <area·href="../../dd/dc5/a20178.html"·alt="QWebEnginePage"·shape="rect"·coords="0,0,149,24"/>
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103 <tr·class="memitem:a4b18290743a42b2ad5c5939c0a5a9062"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d58/a08418.html#a4b18290743a42b2ad5c5939c0a5a9062">javaScriptConsoleMessage</a>·(JavaScriptConsoleMessageLevel·level,·const·QString·&amp;message,·int·lineNumber,·const·QString·&amp;)·override</td></tr>103 <tr·class="memitem:a4b18290743a42b2ad5c5939c0a5a9062"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d58/a08418.html#a4b18290743a42b2ad5c5939c0a5a9062">javaScriptConsoleMessage</a>·(JavaScriptConsoleMessageLevel·level,·const·QString·&amp;message,·int·lineNumber,·const·QString·&amp;)·override</td></tr>
104 <tr·class="separator:a4b18290743a42b2ad5c5939c0a5a9062"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:a4b18290743a42b2ad5c5939c0a5a9062"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 <tr·class="memitem:aef909bf146c10bcb993f6879c2b3fb29"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d58/a08418.html#aef909bf146c10bcb993f6879c2b3fb29">executeLink</a>·(const·QUrl·&amp;url)</td></tr>105 <tr·class="memitem:aef909bf146c10bcb993f6879c2b3fb29"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d58/a08418.html#aef909bf146c10bcb993f6879c2b3fb29">executeLink</a>·(const·QUrl·&amp;url)</td></tr>
106 <tr·class="separator:aef909bf146c10bcb993f6879c2b3fb29"><td·class="memSeparator"·colspan="2">&#160;</td></tr>106 <tr·class="separator:aef909bf146c10bcb993f6879c2b3fb29"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
107 </table>107 </table>
108 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>108 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
109 <div·class="textblock">109 <div·class="textblock">
110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/daf/a01550_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../d8/daf/a01550_source.html">HTMLPage.h</a>.</p>110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dea/a01094_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../d6/dea/a01094_source.html">HTMLPage.h</a>.</p>
111 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>111 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
112 <a·id="aef4a5de871ac586df22f73e8a720e4cb"·name="aef4a5de871ac586df22f73e8a720e4cb"></a>112 <a·id="aef4a5de871ac586df22f73e8a720e4cb"·name="aef4a5de871ac586df22f73e8a720e4cb"></a>
113 <h2·class="memtitle"><span·class="permalink"><a·href="#aef4a5de871ac586df22f73e8a720e4cb">&#9670;&nbsp;</a></span>HTMLPage()·<span·class="overload">[1/2]</span></h2>113 <h2·class="memtitle"><span·class="permalink"><a·href="#aef4a5de871ac586df22f73e8a720e4cb">&#9670;&nbsp;</a></span>HTMLPage()·<span·class="overload">[1/2]</span></h2>
  
114 <div·class="memitem">114 <div·class="memitem">
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8 <title>BALL:·rrModel.h·File·Reference</title>8 <title>BALL:·diffScoringFunction.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_a7dfdbc559f1e3def0943b68d93d2e00.html">COMMON</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">rrModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">diffScoringFunction.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/dae/a01994_source.html">BALL/QSAR/mlrModel.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/d51/a20335_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d3/d8b/a00059_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>
76 </div>76 </div>
77 <p><a·href="../../d3/d59/a01973_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d3/d59/a01973_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>80 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d9a/a05866.html">BALL::QSAR::RRModel</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d1e/a06126.html">BALL::DifferentiableScoringFunction</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table><table·class="memberdecls">83 </table><table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
85 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 </table>88 </table>
91 </div><!--·contents·-->89 </div><!--·contents·-->
92 <!--·start·footer·part·-->90 <!--·start·footer·part·-->
93 <hr·class="footer"/><address·class="footer"><small>91 <hr·class="footer"/><address·class="footer"><small>
94 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.492 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d9/d13/a07671.html">List·of·all·members</a>··</div>71 <a·href="../../d9/d13/a07671.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ParsedFunctionDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ParsedFunctionDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d38/a01373_source.html">BALL/VIEW/DIALOGS/parsedFunctionDialog.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dda/a01289_source.html">BALL/VIEW/DIALOGS/parsedFunctionDialog.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::ParsedFunctionDialog:</div>77 Inheritance·diagram·for·BALL::VIEW::ParsedFunctionDialog:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d3/d5b/a07674.png"·usemap="#BALL::VIEW::ParsedFunctionDialog_map"·alt=""/>80 ··<img·src="../../d3/d5b/a07674.png"·usemap="#BALL::VIEW::ParsedFunctionDialog_map"·alt=""/>
81 ··<map·id="BALL::VIEW::ParsedFunctionDialog_map"·name="BALL::VIEW::ParsedFunctionDialog_map">81 ··<map·id="BALL::VIEW::ParsedFunctionDialog_map"·name="BALL::VIEW::ParsedFunctionDialog_map">
82 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,211,24"/>82 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,211,24"/>
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90 <tr·class="separator:a63bfc50ea498e95f947a9ef37ca99abc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a63bfc50ea498e95f947a9ef37ca99abc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 <tr·class="memitem:a18c411c6d845e12e2f2df618a48c773b"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d5b/a07674.html#a18c411c6d845e12e2f2df618a48c773b">~ParsedFunctionDialog</a>·()</td></tr>91 <tr·class="memitem:a18c411c6d845e12e2f2df618a48c773b"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d5b/a07674.html#a18c411c6d845e12e2f2df618a48c773b">~ParsedFunctionDialog</a>·()</td></tr>
92 <tr·class="separator:a18c411c6d845e12e2f2df618a48c773b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:a18c411c6d845e12e2f2df618a48c773b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table>93 </table>
94 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>94 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
95 <div·class="textblock"><p·>Dialog·to·visualise·a·parsed·function·</p>95 <div·class="textblock"><p·>Dialog·to·visualise·a·parsed·function·</p>
  
96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d38/a01373_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d7/d38/a01373_source.html">parsedFunctionDialog.h</a>.</p>96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dda/a01289_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d9/dda/a01289_source.html">parsedFunctionDialog.h</a>.</p>
97 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>97 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
98 <a·id="a63bfc50ea498e95f947a9ef37ca99abc"·name="a63bfc50ea498e95f947a9ef37ca99abc"></a>98 <a·id="a63bfc50ea498e95f947a9ef37ca99abc"·name="a63bfc50ea498e95f947a9ef37ca99abc"></a>
99 <h2·class="memtitle"><span·class="permalink"><a·href="#a63bfc50ea498e95f947a9ef37ca99abc">&#9670;&nbsp;</a></span>ParsedFunctionDialog()</h2>99 <h2·class="memtitle"><span·class="permalink"><a·href="#a63bfc50ea498e95f947a9ef37ca99abc">&#9670;&nbsp;</a></span>ParsedFunctionDialog()</h2>
  
100 <div·class="memitem">100 <div·class="memitem">
101 <div·class="memproto">101 <div·class="memproto">
102 ······<table·class="memname">102 ······<table·class="memname">
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4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>
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7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·rescoring.h·File·Reference</title>8 <title>BALL:·fftwCommon.h·File·Reference</title>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">rescoring.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">fftwCommon.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;fftw3.h&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d8/d41/a00038_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d2/d31/a02087_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/QSAR/regressionModel.h</a>&gt;</code><br·/> 
78 </div>76 </div>
79 <p><a·href="../../d3/d5e/a00275_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d3/d5e/a00275_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">78 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>80 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d53/a06418.html">BALL::Rescoring</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d85/a04810.html">BALL::DoubleTraits</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dc1/a06422.html">BALL::Rescoring::RescoreQSARData</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/de6/a04814.html">BALL::FloatTraits</a></td></tr>
 84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dac/a04818.html">BALL::LongDoubleTraits</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table><table·class="memberdecls">87 </table><table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
89 Namespaces</h2></td></tr>89 Namespaces</h2></td></tr>
90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">residueTorsions.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">factory.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d00/a00113_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d8/db7/a00812_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/> 
76 </div>75 </div>
77 <p><a·href="../../d3/d60/a00818_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d3/d60/a00818_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">77 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>79 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/de2/a05442.html">BALL::ResidueTorsions</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d1b/a03282.html">BALL::Factory&lt;·T·&gt;</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dc0/a05446.html">BALL::ResidueTorsions::Data</a></td></tr> 
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
87 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../d4/d63/a03459.html">List·of·all·members</a>··</div>72 <a·href="../../d4/d63/a03459.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::TreeWidth&lt;·UndirectedGraph·&gt;::BagContentWriter·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::TreeWidth&lt;·UndirectedGraph·&gt;::BagContentWriter·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../de/dca/a01907_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a9766cb85885f9ef41877890526c4b03e"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d66/a03462.html#a9766cb85885f9ef41877890526c4b03e">BagContentWriter</a>·(<a·class="el"·href="../../d5/d35/a03454.html#a4e6274f86c6de0378cbd811b48f571a5">TreeDecomposition</a>·const·*td,·UndirectedGraph·const·*original_graph)</td></tr>80 <tr·class="memitem:a9766cb85885f9ef41877890526c4b03e"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d66/a03462.html#a9766cb85885f9ef41877890526c4b03e">BagContentWriter</a>·(<a·class="el"·href="../../d5/d35/a03454.html#a4e6274f86c6de0378cbd811b48f571a5">TreeDecomposition</a>·const·*td,·UndirectedGraph·const·*original_graph)</td></tr>
81 <tr·class="separator:a9766cb85885f9ef41877890526c4b03e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a9766cb85885f9ef41877890526c4b03e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:ab3ac74c5d23ee4be646cbdc7415a034b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d66/a03462.html#ab3ac74c5d23ee4be646cbdc7415a034b">operator()</a>·(std::ostream·&amp;out,·const·<a·class="el"·href="../../d5/d35/a03454.html#a3d41f33d74546790acdddedd19d035c5">TreeDecompositionBag</a>·&amp;v)·const</td></tr>82 <tr·class="memitem:ab3ac74c5d23ee4be646cbdc7415a034b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d66/a03462.html#ab3ac74c5d23ee4be646cbdc7415a034b">operator()</a>·(std::ostream·&amp;out,·const·<a·class="el"·href="../../d5/d35/a03454.html#a3d41f33d74546790acdddedd19d035c5">TreeDecompositionBag</a>·&amp;v)·const</td></tr>
83 <tr·class="separator:ab3ac74c5d23ee4be646cbdc7415a034b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:ab3ac74c5d23ee4be646cbdc7415a034b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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90 <tr·class="memitem:aa0653f24f6e2b0d68d48b2b58dda939a"><td·class="memItemLeft"·align="right"·valign="top">UndirectedGraph·const··*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d66/a03462.html#aa0653f24f6e2b0d68d48b2b58dda939a">original_graph_</a></td></tr>90 <tr·class="memitem:aa0653f24f6e2b0d68d48b2b58dda939a"><td·class="memItemLeft"·align="right"·valign="top">UndirectedGraph·const··*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d66/a03462.html#aa0653f24f6e2b0d68d48b2b58dda939a">original_graph_</a></td></tr>
91 <tr·class="separator:aa0653f24f6e2b0d68d48b2b58dda939a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:aa0653f24f6e2b0d68d48b2b58dda939a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·UndirectedGraph&gt;<br·/>94 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·UndirectedGraph&gt;<br·/>
95 class·BALL::TreeWidth&lt;·UndirectedGraph·&gt;::BagContentWriter</div><p·>PropertyWriter·for·graphviz·output.·</p>95 class·BALL::TreeWidth&lt;·UndirectedGraph·&gt;::BagContentWriter</div><p·>PropertyWriter·for·graphviz·output.·</p>
  
96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">treeWidth.h</a>.</p>96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
97 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>97 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
98 <a·id="a9766cb85885f9ef41877890526c4b03e"·name="a9766cb85885f9ef41877890526c4b03e"></a>98 <a·id="a9766cb85885f9ef41877890526c4b03e"·name="a9766cb85885f9ef41877890526c4b03e"></a>
99 <h2·class="memtitle"><span·class="permalink"><a·href="#a9766cb85885f9ef41877890526c4b03e">&#9670;&nbsp;</a></span>BagContentWriter()</h2>99 <h2·class="memtitle"><span·class="permalink"><a·href="#a9766cb85885f9ef41877890526c4b03e">&#9670;&nbsp;</a></span>BagContentWriter()</h2>
  
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212 ··</td>212 ··</td>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_a7dfdbc559f1e3def0943b68d93d2e00.html">COMMON</a></li>··</ul>
65 </div>65 </div>
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
 71 <a·href="#typedef-members">Typedefs</a>··</div>
71 ··<div·class="headertitle"><div·class="title">aromaticityProcessor.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">scoreGridSet.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d00/a00401_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d3/def/a01985_source.html">BALL/SCORING/COMMON/gridBasedScoring.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../de/d40/a01592_source.html">BALL/DOCKING/COMMON/constraints.h</a>&gt;</code><br·/>
76 </div>79 </div>
77 <p><a·href="../../d3/d67/a01958_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../d3/d67/a01958_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">81 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>83 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d82/a05598.html">BALL::AromaticityProcessor</a></td></tr>84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0c/a06158.html">BALL::ScoreGridSet</a></td></tr>
82 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">This·processor·provides·methods·for·detection·and·assignment·of·aromaticity.··<a·href="../../dd/d82/a05598.html#details">More...</a><br·/></td></tr> 
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd6/a05602.html">BALL::AromaticityProcessor::Option</a></td></tr> 
85 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../dd/dd6/a05602.html"·title="Option·names.">Option</a>·names.··<a·href="../../dd/dd6/a05602.html#details">More...</a><br·/></td></tr> 
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc0/a05606.html">BALL::AromaticityProcessor::Default</a></td></tr> 
88 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d9/dc0/a05606.html"·title="Default·values·for·options.">Default</a>·values·for·options.··<a·href="../../d9/dc0/a05606.html#details">More...</a><br·/></td></tr> 
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 94 <tr·class="memitem:a8e1ef61b694681f35783ae622893441c"><td·class="memItemLeft"·align="right"·valign="top">typedef·vector&lt;·vector&lt;·vector&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a8e1ef61b694681f35783ae622893441c">BALL::ScoreGrid</a></td></tr>
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72 ··<div·class="headertitle"><div·class="title">BALL::TRegularData1D&lt;·ValueType·&gt;::BlockValueType·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TRegularData1D&lt;·ValueType·&gt;::BlockValueType·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p>The·block·data·type·for·reading·and·writing·binary·data.··75 <p>The·block·data·type·for·reading·and·writing·binary·data.··
76 ·<a·href="../../d3/d6e/a03570.html#details">More...</a></p>76 ·<a·href="../../d3/d6e/a03570.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d5/d31/a01931_source.html">BALL/DATATYPE/regularData1D.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../db/d77/a00683_source.html">BALL/DATATYPE/regularData1D.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
80 Public·Attributes</h2></td></tr>80 Public·Attributes</h2></td></tr>
81 <tr·class="memitem:ab6e80e50b5f4ac5b862f007970b3629b"><td·class="memItemLeft"·align="right"·valign="top">ValueType&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d6e/a03570.html#ab6e80e50b5f4ac5b862f007970b3629b">bt</a>·[1024]</td></tr>81 <tr·class="memitem:ab6e80e50b5f4ac5b862f007970b3629b"><td·class="memItemLeft"·align="right"·valign="top">ValueType&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d6e/a03570.html#ab6e80e50b5f4ac5b862f007970b3629b">bt</a>·[1024]</td></tr>
82 <tr·class="separator:ab6e80e50b5f4ac5b862f007970b3629b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:ab6e80e50b5f4ac5b862f007970b3629b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·ValueType&gt;<br·/>85 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·ValueType&gt;<br·/>
86 struct·BALL::TRegularData1D&lt;·ValueType·&gt;::BlockValueType</div><p·>The·block·data·type·for·reading·and·writing·binary·data.·</p>86 struct·BALL::TRegularData1D&lt;·ValueType·&gt;::BlockValueType</div><p·>The·block·data·type·for·reading·and·writing·binary·data.·</p>
  
87 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d31/a01931_source.html#l00353">353</a>·of·file·<a·class="el"·href="../../d5/d31/a01931_source.html">regularData1D.h</a>.</p>87 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d77/a00683_source.html#l00353">353</a>·of·file·<a·class="el"·href="../../db/d77/a00683_source.html">regularData1D.h</a>.</p>
88 </div><h2·class="groupheader">Member·Data·Documentation</h2>88 </div><h2·class="groupheader">Member·Data·Documentation</h2>
89 <a·id="ab6e80e50b5f4ac5b862f007970b3629b"·name="ab6e80e50b5f4ac5b862f007970b3629b"></a>89 <a·id="ab6e80e50b5f4ac5b862f007970b3629b"·name="ab6e80e50b5f4ac5b862f007970b3629b"></a>
90 <h2·class="memtitle"><span·class="permalink"><a·href="#ab6e80e50b5f4ac5b862f007970b3629b">&#9670;&nbsp;</a></span>bt</h2>90 <h2·class="memtitle"><span·class="permalink"><a·href="#ab6e80e50b5f4ac5b862f007970b3629b">&#9670;&nbsp;</a></span>bt</h2>
  
91 <div·class="memitem">91 <div·class="memitem">
92 <div·class="memproto">92 <div·class="memproto">
93 <div·class="memtemplate">93 <div·class="memtemplate">
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99 ······<table·class="memname">99 ······<table·class="memname">
100 ········<tr>100 ········<tr>
101 ··········<td·class="memname">ValueType·<a·class="el"·href="../../d2/d6e/a03566.html">BALL::TRegularData1D</a>&lt;·ValueType·&gt;::BlockValueType::bt[1024]</td>101 ··········<td·class="memname">ValueType·<a·class="el"·href="../../d2/d6e/a03566.html">BALL::TRegularData1D</a>&lt;·ValueType·&gt;::BlockValueType::bt[1024]</td>
102 ········</tr>102 ········</tr>
103 ······</table>103 ······</table>
104 </div><div·class="memdoc">104 </div><div·class="memdoc">
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
 68 ··<div·class="summary">
 69 <a·href="#nested-classes">Classes</a>·&#124;
 70 <a·href="#namespaces">Namespaces</a>··</div>
68 ··<div·class="headertitle"><div·class="title">energy.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">molFileFactory.h·File·Reference</div></div>
69 </div><!--header-->72 </div><!--header-->
70 <div·class="contents">73 <div·class="contents">
71 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d95/a00989_source.html">BALL/ENERGY/atomicContactEnergy.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
72 <code>#include·&lt;<a·class="el"·href="../../dd/d48/a00995_source.html">BALL/ENERGY/coulomb.h</a>&gt;</code><br·/> 
73 <code>#include·&lt;<a·class="el"·href="../../df/d59/a01001_source.html">BALL/ENERGY/distanceCoulomb.h</a>&gt;</code><br·/> 
74 </div>75 </div>
75 <p><a·href="../../d3/d7b/a00986_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d3/d7b/a00986_source.html">Go·to·the·source·code·of·this·file.</a></p>
 77 <table·class="memberdecls">
 78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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 80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dce/a04002.html">BALL::MolFileFactory</a></td></tr>
 81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 82 </table><table·class="memberdecls">
 83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
 84 Namespaces</h2></td></tr>
 85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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 87 </table>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d3/d30/a05703.html">List·of·all·members</a>··</div>71 <a·href="../../d3/d30/a05703.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::WrongFileFormat·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::WrongFileFormat·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/d51/a20335_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::QSAR::Exception::WrongFileFormat:</div>77 Inheritance·diagram·for·BALL::QSAR::Exception::WrongFileFormat:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d3/d7c/a05706.png"·usemap="#BALL::QSAR::Exception::WrongFileFormat_map"·alt=""/>80 ··<img·src="../../d3/d7c/a05706.png"·usemap="#BALL::QSAR::Exception::WrongFileFormat_map"·alt=""/>
81 ··<map·id="BALL::QSAR::Exception::WrongFileFormat_map"·name="BALL::QSAR::Exception::WrongFileFormat_map">81 ··<map·id="BALL::QSAR::Exception::WrongFileFormat_map"·name="BALL::QSAR::Exception::WrongFileFormat_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,248,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,248,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·><a·class="el"·href="../../db/d42/a07350.html">File</a>·format·observed·for·an·input·data·file·(sdf-file)·does·not·fit·the·expected·file·format·</p>136 <div·class="textblock"><p·><a·class="el"·href="../../db/d42/a07350.html">File</a>·format·observed·for·an·input·data·file·(sdf-file)·does·not·fit·the·expected·file·format·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d51/a20335_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../db/d51/a20335_source.html">QSAR/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="a067a081a1a94e09fcd4e4ea61318ed9e"·name="a067a081a1a94e09fcd4e4ea61318ed9e"></a>139 <a·id="a067a081a1a94e09fcd4e4ea61318ed9e"·name="a067a081a1a94e09fcd4e4ea61318ed9e"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a067a081a1a94e09fcd4e4ea61318ed9e">&#9670;&nbsp;</a></span>WrongFileFormat()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a067a081a1a94e09fcd4e4ea61318ed9e">&#9670;&nbsp;</a></span>WrongFileFormat()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
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71 <a·href="../../d0/d08/a03519.html">List·of·all·members</a>··</div>71 <a·href="../../d0/d08/a03519.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·BALL::Triple&lt;·T1,·T2,·T3·&gt;·&gt;·Struct·Template·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·BALL::Triple&lt;·T1,·T2,·T3·&gt;·&gt;·Struct·Template·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d36/a01916_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:a235030c0c5fdd53eaf28c83e9ed6e1a8"><td·class="memItemLeft"·align="right"·valign="top">size_t&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d7f/a03522.html#a235030c0c5fdd53eaf28c83e9ed6e1a8">operator()</a>·(const·<a·class="el"·href="../../de/d78/a03622.html">BALL::Triple</a>&lt;·T1,·T2,·T3·&gt;·&amp;s)·const</td></tr>79 <tr·class="memitem:a235030c0c5fdd53eaf28c83e9ed6e1a8"><td·class="memItemLeft"·align="right"·valign="top">size_t&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d7f/a03522.html#a235030c0c5fdd53eaf28c83e9ed6e1a8">operator()</a>·(const·<a·class="el"·href="../../de/d78/a03622.html">BALL::Triple</a>&lt;·T1,·T2,·T3·&gt;·&amp;s)·const</td></tr>
80 <tr·class="separator:a235030c0c5fdd53eaf28c83e9ed6e1a8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a235030c0c5fdd53eaf28c83e9ed6e1a8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 </table>81 </table>
82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T1,·typename·T2,·typename·T3&gt;<br·/>83 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T1,·typename·T2,·typename·T3&gt;<br·/>
84 struct·boost::hash&lt;·BALL::Triple&lt;·T1,·T2,·T3·&gt;·&gt;</div>84 struct·boost::hash&lt;·BALL::Triple&lt;·T1,·T2,·T3·&gt;·&gt;</div>
85 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d36/a01916_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d0/d36/a01916_source.html">hashMap.h</a>.</p>85 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d5b/a00695_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d5/d5b/a00695_source.html">hashMap.h</a>.</p>
86 </div><h2·class="groupheader">Member·Function·Documentation</h2>86 </div><h2·class="groupheader">Member·Function·Documentation</h2>
87 <a·id="a235030c0c5fdd53eaf28c83e9ed6e1a8"·name="a235030c0c5fdd53eaf28c83e9ed6e1a8"></a>87 <a·id="a235030c0c5fdd53eaf28c83e9ed6e1a8"·name="a235030c0c5fdd53eaf28c83e9ed6e1a8"></a>
88 <h2·class="memtitle"><span·class="permalink"><a·href="#a235030c0c5fdd53eaf28c83e9ed6e1a8">&#9670;&nbsp;</a></span>operator()()</h2>88 <h2·class="memtitle"><span·class="permalink"><a·href="#a235030c0c5fdd53eaf28c83e9ed6e1a8">&#9670;&nbsp;</a></span>operator()()</h2>
  
89 <div·class="memitem">89 <div·class="memitem">
90 <div·class="memproto">90 <div·class="memproto">
91 <div·class="memtemplate">91 <div·class="memtemplate">
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107 ··</td>107 ··</td>
108 ··<td·class="mlabels-right">108 ··<td·class="mlabels-right">
109 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>109 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
110 ··</tr>110 ··</tr>
111 </table>111 </table>
112 </div><div·class="memdoc">112 </div><div·class="memdoc">
  
113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d36/a01916_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d0/d36/a01916_source.html">hashMap.h</a>.</p>113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d5b/a00695_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d5/d5b/a00695_source.html">hashMap.h</a>.</p>
  
114 </div>114 </div>
115 </div>115 </div>
116 </div><!--·contents·-->116 </div><!--·contents·-->
117 <!--·start·footer·part·-->117 <!--·start·footer·part·-->
118 <hr·class="footer"/><address·class="footer"><small>118 <hr·class="footer"/><address·class="footer"><small>
119 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4119 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../d5/d12/a03851.html">List·of·all·members</a>··</div>72 <a·href="../../d5/d12/a03851.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::CIFFile::Item·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::CIFFile::Item·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d0/d89/a00071_source.html">BALL/FORMAT/CIFFile.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d3/d29/a00947_source.html">BALL/FORMAT/CIFFile.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:af16678774f74ebf59b3266e23e25ea79"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d83/a03854.html#af16678774f74ebf59b3266e23e25ea79">Item</a>·()</td></tr>80 <tr·class="memitem:af16678774f74ebf59b3266e23e25ea79"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d83/a03854.html#af16678774f74ebf59b3266e23e25ea79">Item</a>·()</td></tr>
81 <tr·class="separator:af16678774f74ebf59b3266e23e25ea79"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:af16678774f74ebf59b3266e23e25ea79"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:ab360098b14eb1e7b3fb05a146d7eb2c2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d83/a03854.html#ab360098b14eb1e7b3fb05a146d7eb2c2">Item</a>·(const·<a·class="el"·href="../../d3/d83/a03854.html">Item</a>·&amp;item)</td></tr>82 <tr·class="memitem:ab360098b14eb1e7b3fb05a146d7eb2c2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d83/a03854.html#ab360098b14eb1e7b3fb05a146d7eb2c2">Item</a>·(const·<a·class="el"·href="../../d3/d83/a03854.html">Item</a>·&amp;item)</td></tr>
83 <tr·class="separator:ab360098b14eb1e7b3fb05a146d7eb2c2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:ab360098b14eb1e7b3fb05a146d7eb2c2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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109 <tr·class="separator:a2b76215aba32a3c77aa2768df61527d4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>109 <tr·class="separator:a2b76215aba32a3c77aa2768df61527d4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
110 <tr·class="memitem:a1244f23673f855739e6ed76f916fdbee"><td·class="memItemLeft"·align="right"·valign="top">std::pair&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d83/a03854.html#a1244f23673f855739e6ed76f916fdbee">entry</a></td></tr>110 <tr·class="memitem:a1244f23673f855739e6ed76f916fdbee"><td·class="memItemLeft"·align="right"·valign="top">std::pair&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d83/a03854.html#a1244f23673f855739e6ed76f916fdbee">entry</a></td></tr>
111 <tr·class="separator:a1244f23673f855739e6ed76f916fdbee"><td·class="memSeparator"·colspan="2">&#160;</td></tr>111 <tr·class="separator:a1244f23673f855739e6ed76f916fdbee"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
112 </table>112 </table>
113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
114 <div·class="textblock"><p·>Nested·class·for·the·dataitems·of·the·<a·class="el"·href="../../db/d2a/a03850.html">CIFFile</a>·</p>114 <div·class="textblock"><p·>Nested·class·for·the·dataitems·of·the·<a·class="el"·href="../../db/d2a/a03850.html">CIFFile</a>·</p>
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d89/a00071_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d0/d89/a00071_source.html">CIFFile.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
117 <a·id="af16678774f74ebf59b3266e23e25ea79"·name="af16678774f74ebf59b3266e23e25ea79"></a>117 <a·id="af16678774f74ebf59b3266e23e25ea79"·name="af16678774f74ebf59b3266e23e25ea79"></a>
118 <h2·class="memtitle"><span·class="permalink"><a·href="#af16678774f74ebf59b3266e23e25ea79">&#9670;&nbsp;</a></span>Item()·<span·class="overload">[1/2]</span></h2>118 <h2·class="memtitle"><span·class="permalink"><a·href="#af16678774f74ebf59b3266e23e25ea79">&#9670;&nbsp;</a></span>Item()·<span·class="overload">[1/2]</span></h2>
  
119 <div·class="memitem">119 <div·class="memitem">
120 <div·class="memproto">120 <div·class="memproto">
121 ······<table·class="memname">121 ······<table·class="memname">
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322 ········<tr>322 ········<tr>
323 ··········<td·class="memname">std::pair&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&gt;·BALL::CIFFile::Item::entry</td>323 ··········<td·class="memname">std::pair&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&gt;·BALL::CIFFile::Item::entry</td>
324 ········</tr>324 ········</tr>
325 ······</table>325 ······</table>
326 </div><div·class="memdoc">326 </div><div·class="memdoc">
327 <p·>Stores·the·tag-value·pair·in·key·-·value·format·</p>327 <p·>Stores·the·tag-value·pair·in·key·-·value·format·</p>
  
328 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d89/a00071_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../d0/d89/a00071_source.html">CIFFile.h</a>.</p>328 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
  
329 </div>329 </div>
330 </div>330 </div>
331 <a·id="aa7289bdc38210d90a952a266e182b14e"·name="aa7289bdc38210d90a952a266e182b14e"></a>331 <a·id="aa7289bdc38210d90a952a266e182b14e"·name="aa7289bdc38210d90a952a266e182b14e"></a>
332 <h2·class="memtitle"><span·class="permalink"><a·href="#aa7289bdc38210d90a952a266e182b14e">&#9670;&nbsp;</a></span>is_loop</h2>332 <h2·class="memtitle"><span·class="permalink"><a·href="#aa7289bdc38210d90a952a266e182b14e">&#9670;&nbsp;</a></span>is_loop</h2>
  
333 <div·class="memitem">333 <div·class="memitem">
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339 ········<tr>339 ········<tr>
340 ··········<td·class="memname"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>·BALL::CIFFile::Item::is_loop</td>340 ··········<td·class="memname"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>·BALL::CIFFile::Item::is_loop</td>
341 ········</tr>341 ········</tr>
342 ······</table>342 ······</table>
343 </div><div·class="memdoc">343 </div><div·class="memdoc">
  
344 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d89/a00071_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../d0/d89/a00071_source.html">CIFFile.h</a>.</p>344 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
  
345 </div>345 </div>
346 </div>346 </div>
347 <a·id="a163f16e04710a314a7884b19803bbaa9"·name="a163f16e04710a314a7884b19803bbaa9"></a>347 <a·id="a163f16e04710a314a7884b19803bbaa9"·name="a163f16e04710a314a7884b19803bbaa9"></a>
348 <h2·class="memtitle"><span·class="permalink"><a·href="#a163f16e04710a314a7884b19803bbaa9">&#9670;&nbsp;</a></span>keys</h2>348 <h2·class="memtitle"><span·class="permalink"><a·href="#a163f16e04710a314a7884b19803bbaa9">&#9670;&nbsp;</a></span>keys</h2>
  
349 <div·class="memitem">349 <div·class="memitem">
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355 ········<tr>355 ········<tr>
356 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>&gt;·BALL::CIFFile::Item::keys</td>356 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>&gt;·BALL::CIFFile::Item::keys</td>
357 ········</tr>357 ········</tr>
358 ······</table>358 ······</table>
359 </div><div·class="memdoc">359 </div><div·class="memdoc">
360 <p·>Stores·all·loop·data·indices·Stores·all·raw·loop·data·</p>360 <p·>Stores·all·loop·data·indices·Stores·all·raw·loop·data·</p>
  
361 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d89/a00071_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d0/d89/a00071_source.html">CIFFile.h</a>.</p>361 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
  
362 </div>362 </div>
363 </div>363 </div>
364 <a·id="a2b76215aba32a3c77aa2768df61527d4"·name="a2b76215aba32a3c77aa2768df61527d4"></a>364 <a·id="a2b76215aba32a3c77aa2768df61527d4"·name="a2b76215aba32a3c77aa2768df61527d4"></a>
365 <h2·class="memtitle"><span·class="permalink"><a·href="#a2b76215aba32a3c77aa2768df61527d4">&#9670;&nbsp;</a></span>values</h2>365 <h2·class="memtitle"><span·class="permalink"><a·href="#a2b76215aba32a3c77aa2768df61527d4">&#9670;&nbsp;</a></span>values</h2>
  
366 <div·class="memitem">366 <div·class="memitem">
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372 ········<tr>372 ········<tr>
373 ··········<td·class="memname">std::vector&lt;std::vector&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>&gt;·&gt;·BALL::CIFFile::Item::values</td>373 ··········<td·class="memname">std::vector&lt;std::vector&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>&gt;·&gt;·BALL::CIFFile::Item::values</td>
374 ········</tr>374 ········</tr>
375 ······</table>375 ······</table>
376 </div><div·class="memdoc">376 </div><div·class="memdoc">
377 <p·>Stores·the·loop·data·per·line·</p>377 <p·>Stores·the·loop·data·per·line·</p>
  
378 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d89/a00071_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../d0/d89/a00071_source.html">CIFFile.h</a>.</p>378 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
  
379 </div>379 </div>
380 </div>380 </div>
381 </div><!--·contents·-->381 </div><!--·contents·-->
382 <!--·start·footer·part·-->382 <!--·start·footer·part·-->
383 <hr·class="footer"/><address·class="footer"><small>383 <hr·class="footer"/><address·class="footer"><small>
384 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4384 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../de/d67/a03487.html">List·of·all·members</a>··</div>71 <a·href="../../de/d67/a03487.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::QuickBB&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::QuickBB&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../de/dca/a01907_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a80372d73aa33bc78389aeeb2e9d9e1ba"><td·class="memItemLeft"·align="right"·valign="top">unsigned·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d87/a03490.html#a80372d73aa33bc78389aeeb2e9d9e1ba">g</a></td></tr>79 <tr·class="memitem:a80372d73aa33bc78389aeeb2e9d9e1ba"><td·class="memItemLeft"·align="right"·valign="top">unsigned·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d87/a03490.html#a80372d73aa33bc78389aeeb2e9d9e1ba">g</a></td></tr>
80 <tr·class="separator:a80372d73aa33bc78389aeeb2e9d9e1ba"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a80372d73aa33bc78389aeeb2e9d9e1ba"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a29b5c631c464df56e28c58315a02c6d9"><td·class="memItemLeft"·align="right"·valign="top">unsigned·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d87/a03490.html#a29b5c631c464df56e28c58315a02c6d9">h</a></td></tr>81 <tr·class="memitem:a29b5c631c464df56e28c58315a02c6d9"><td·class="memItemLeft"·align="right"·valign="top">unsigned·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d87/a03490.html#a29b5c631c464df56e28c58315a02c6d9">h</a></td></tr>
82 <tr·class="separator:a29b5c631c464df56e28c58315a02c6d9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a29b5c631c464df56e28c58315a02c6d9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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87 <tr·class="separator:a5fd68358eb046e792e1fb049c4716d15"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a5fd68358eb046e792e1fb049c4716d15"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·UndirectedGraph&gt;<br·/>90 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·UndirectedGraph&gt;<br·/>
91 template&lt;class·Lowerbound·=·MinorMinWidth,·class·Upperbound·=·GreedyX&lt;FillInHeuristic&gt;&gt;<br·/>91 template&lt;class·Lowerbound·=·MinorMinWidth,·class·Upperbound·=·GreedyX&lt;FillInHeuristic&gt;&gt;<br·/>
92 struct·BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::QuickBB&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState</div><p·>a·single·vertex·in·the·search-tree·</p>92 struct·BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::QuickBB&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState</div><p·>a·single·vertex·in·the·search-tree·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00347">347</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">treeWidth.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00347">347</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="a9547a84da5f9f3b323541815c25870da"·name="a9547a84da5f9f3b323541815c25870da"></a>95 <a·id="a9547a84da5f9f3b323541815c25870da"·name="a9547a84da5f9f3b323541815c25870da"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a9547a84da5f9f3b323541815c25870da">&#9670;&nbsp;</a></span>f</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a9547a84da5f9f3b323541815c25870da">&#9670;&nbsp;</a></span>f</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 <div·class="memtemplate">99 <div·class="memtemplate">
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107 ··········<td·class="memname">unsigned·int·<a·class="el"·href="../../d1/d82/a03450.html">BALL::TreeWidthImplementation</a>&lt;·UndirectedGraph·&gt;<a·class="el"·href="../../d8/d7b/a03486.html#a1ab78f1923cd3b09ae53f7751c44b6bd">::QuickBB</a>&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState::f</td>107 ··········<td·class="memname">unsigned·int·<a·class="el"·href="../../d1/d82/a03450.html">BALL::TreeWidthImplementation</a>&lt;·UndirectedGraph·&gt;<a·class="el"·href="../../d8/d7b/a03486.html#a1ab78f1923cd3b09ae53f7751c44b6bd">::QuickBB</a>&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState::f</td>
108 ········</tr>108 ········</tr>
109 ······</table>109 ······</table>
110 </div><div·class="memdoc">110 </div><div·class="memdoc">
111 <p·>best·lowerbound·for·this·state·</p>111 <p·>best·lowerbound·for·this·state·</p>
  
112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00362">362</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">treeWidth.h</a>.</p>112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00362">362</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
113 </div>113 </div>
114 </div>114 </div>
115 <a·id="a80372d73aa33bc78389aeeb2e9d9e1ba"·name="a80372d73aa33bc78389aeeb2e9d9e1ba"></a>115 <a·id="a80372d73aa33bc78389aeeb2e9d9e1ba"·name="a80372d73aa33bc78389aeeb2e9d9e1ba"></a>
116 <h2·class="memtitle"><span·class="permalink"><a·href="#a80372d73aa33bc78389aeeb2e9d9e1ba">&#9670;&nbsp;</a></span>g</h2>116 <h2·class="memtitle"><span·class="permalink"><a·href="#a80372d73aa33bc78389aeeb2e9d9e1ba">&#9670;&nbsp;</a></span>g</h2>
  
117 <div·class="memitem">117 <div·class="memitem">
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128 ··········<td·class="memname">unsigned·int·<a·class="el"·href="../../d1/d82/a03450.html">BALL::TreeWidthImplementation</a>&lt;·UndirectedGraph·&gt;<a·class="el"·href="../../d8/d7b/a03486.html#a1ab78f1923cd3b09ae53f7751c44b6bd">::QuickBB</a>&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState::g</td>128 ··········<td·class="memname">unsigned·int·<a·class="el"·href="../../d1/d82/a03450.html">BALL::TreeWidthImplementation</a>&lt;·UndirectedGraph·&gt;<a·class="el"·href="../../d8/d7b/a03486.html#a1ab78f1923cd3b09ae53f7751c44b6bd">::QuickBB</a>&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState::g</td>
129 ········</tr>129 ········</tr>
130 ······</table>130 ······</table>
131 </div><div·class="memdoc">131 </div><div·class="memdoc">
132 <p·>width·of·the·permutation·along·the·path·from·the·root·</p>132 <p·>width·of·the·permutation·along·the·path·from·the·root·</p>
  
133 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00352">352</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">treeWidth.h</a>.</p>133 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00352">352</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
134 </div>134 </div>
135 </div>135 </div>
136 <a·id="a29b5c631c464df56e28c58315a02c6d9"·name="a29b5c631c464df56e28c58315a02c6d9"></a>136 <a·id="a29b5c631c464df56e28c58315a02c6d9"·name="a29b5c631c464df56e28c58315a02c6d9"></a>
137 <h2·class="memtitle"><span·class="permalink"><a·href="#a29b5c631c464df56e28c58315a02c6d9">&#9670;&nbsp;</a></span>h</h2>137 <h2·class="memtitle"><span·class="permalink"><a·href="#a29b5c631c464df56e28c58315a02c6d9">&#9670;&nbsp;</a></span>h</h2>
  
138 <div·class="memitem">138 <div·class="memitem">
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149 ··········<td·class="memname">unsigned·int·<a·class="el"·href="../../d1/d82/a03450.html">BALL::TreeWidthImplementation</a>&lt;·UndirectedGraph·&gt;<a·class="el"·href="../../d8/d7b/a03486.html#a1ab78f1923cd3b09ae53f7751c44b6bd">::QuickBB</a>&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState::h</td>149 ··········<td·class="memname">unsigned·int·<a·class="el"·href="../../d1/d82/a03450.html">BALL::TreeWidthImplementation</a>&lt;·UndirectedGraph·&gt;<a·class="el"·href="../../d8/d7b/a03486.html#a1ab78f1923cd3b09ae53f7751c44b6bd">::QuickBB</a>&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState::h</td>
150 ········</tr>150 ········</tr>
151 ······</table>151 ······</table>
152 </div><div·class="memdoc">152 </div><div·class="memdoc">
153 <p·>lowerbound·of·g·</p>153 <p·>lowerbound·of·g·</p>
  
154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00357">357</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">treeWidth.h</a>.</p>154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00357">357</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
155 </div>155 </div>
156 </div>156 </div>
157 <a·id="a5fd68358eb046e792e1fb049c4716d15"·name="a5fd68358eb046e792e1fb049c4716d15"></a>157 <a·id="a5fd68358eb046e792e1fb049c4716d15"·name="a5fd68358eb046e792e1fb049c4716d15"></a>
158 <h2·class="memtitle"><span·class="permalink"><a·href="#a5fd68358eb046e792e1fb049c4716d15">&#9670;&nbsp;</a></span>permutation</h2>158 <h2·class="memtitle"><span·class="permalink"><a·href="#a5fd68358eb046e792e1fb049c4716d15">&#9670;&nbsp;</a></span>permutation</h2>
  
159 <div·class="memitem">159 <div·class="memitem">
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170 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&gt;·<a·class="el"·href="../../d1/d82/a03450.html">BALL::TreeWidthImplementation</a>&lt;·UndirectedGraph·&gt;<a·class="el"·href="../../d8/d7b/a03486.html#a1ab78f1923cd3b09ae53f7751c44b6bd">::QuickBB</a>&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState::permutation</td>170 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&gt;·<a·class="el"·href="../../d1/d82/a03450.html">BALL::TreeWidthImplementation</a>&lt;·UndirectedGraph·&gt;<a·class="el"·href="../../d8/d7b/a03486.html#a1ab78f1923cd3b09ae53f7751c44b6bd">::QuickBB</a>&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState::permutation</td>
171 ········</tr>171 ········</tr>
172 ······</table>172 ······</table>
173 </div><div·class="memdoc">173 </div><div·class="memdoc">
174 <p·>current·elimination·order·</p>174 <p·>current·elimination·order·</p>
  
175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00367">367</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">treeWidth.h</a>.</p>175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00367">367</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
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180 <hr·class="footer"/><address·class="footer"><small>180 <hr·class="footer"/><address·class="footer"><small>
181 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4181 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../da/d09/a06451.html">List·of·all·members</a>··</div>71 <a·href="../../da/d09/a06451.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::SLICKScore::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SLICKScore::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d0f/a00308_source.html">BALL/SCORING/FUNCTIONS/slickScore.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d8/d45/a02021_source.html">BALL/SCORING/FUNCTIONS/slickScore.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a596f3e3f066c9d63abb266fa7f9f3ce7"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d89/a06454.html#a596f3e3f066c9d63abb266fa7f9f3ce7">CONST</a></td></tr>79 <tr·class="memitem:a596f3e3f066c9d63abb266fa7f9f3ce7"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d89/a06454.html#a596f3e3f066c9d63abb266fa7f9f3ce7">CONST</a></td></tr>
80 <tr·class="separator:a596f3e3f066c9d63abb266fa7f9f3ce7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a596f3e3f066c9d63abb266fa7f9f3ce7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a3f508dad48c28595262541c7466a0a9e"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d89/a06454.html#a3f508dad48c28595262541c7466a0a9e">CHPI</a></td></tr>81 <tr·class="memitem:a3f508dad48c28595262541c7466a0a9e"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d89/a06454.html#a3f508dad48c28595262541c7466a0a9e">CHPI</a></td></tr>
82 <tr·class="separator:a3f508dad48c28595262541c7466a0a9e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a3f508dad48c28595262541c7466a0a9e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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87 <tr·class="separator:a41e52a3d9a789ccc7668e2e89b2fa201"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a41e52a3d9a789ccc7668e2e89b2fa201"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:acbc9f12f8cbc82831a8d0bd05df01f66"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d89/a06454.html#acbc9f12f8cbc82831a8d0bd05df01f66">POLAR</a></td></tr>88 <tr·class="memitem:acbc9f12f8cbc82831a8d0bd05df01f66"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d89/a06454.html#acbc9f12f8cbc82831a8d0bd05df01f66">POLAR</a></td></tr>
89 <tr·class="separator:acbc9f12f8cbc82831a8d0bd05df01f66"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:acbc9f12f8cbc82831a8d0bd05df01f66"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p·><a·class="el"·href="../../d3/d89/a06454.html">Option</a>·names·</p>92 <div·class="textblock"><p·><a·class="el"·href="../../d3/d89/a06454.html">Option</a>·names·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00308_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d5/d0f/a00308_source.html">slickScore.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="a3f508dad48c28595262541c7466a0a9e"·name="a3f508dad48c28595262541c7466a0a9e"></a>95 <a·id="a3f508dad48c28595262541c7466a0a9e"·name="a3f508dad48c28595262541c7466a0a9e"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a3f508dad48c28595262541c7466a0a9e">&#9670;&nbsp;</a></span>CHPI</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a3f508dad48c28595262541c7466a0a9e">&#9670;&nbsp;</a></span>CHPI</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 <table·class="mlabels">99 <table·class="mlabels">
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109 ··</td>109 ··</td>
110 ··<td·class="mlabels-right">110 ··<td·class="mlabels-right">
111 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>111 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
112 ··</tr>112 ··</tr>
113 </table>113 </table>
114 </div><div·class="memdoc">114 </div><div·class="memdoc">
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00308_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d5/d0f/a00308_source.html">slickScore.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
  
116 </div>116 </div>
117 </div>117 </div>
118 <a·id="a596f3e3f066c9d63abb266fa7f9f3ce7"·name="a596f3e3f066c9d63abb266fa7f9f3ce7"></a>118 <a·id="a596f3e3f066c9d63abb266fa7f9f3ce7"·name="a596f3e3f066c9d63abb266fa7f9f3ce7"></a>
119 <h2·class="memtitle"><span·class="permalink"><a·href="#a596f3e3f066c9d63abb266fa7f9f3ce7">&#9670;&nbsp;</a></span>CONST</h2>119 <h2·class="memtitle"><span·class="permalink"><a·href="#a596f3e3f066c9d63abb266fa7f9f3ce7">&#9670;&nbsp;</a></span>CONST</h2>
  
120 <div·class="memitem">120 <div·class="memitem">
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135 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>135 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
136 ··</tr>136 ··</tr>
137 </table>137 </table>
138 </div><div·class="memdoc">138 </div><div·class="memdoc">
139 <p·>The·additive·constant·(</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d1/d0b/a06458.html#a177201cd7f6f1439b245395800497e2c">Default::CONST</a>)·</dd></dl>139 <p·>The·additive·constant·(</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d1/d0b/a06458.html#a177201cd7f6f1439b245395800497e2c">Default::CONST</a>)·</dd></dl>
  
140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00308_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d5/d0f/a00308_source.html">slickScore.h</a>.</p>140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
  
141 </div>141 </div>
142 </div>142 </div>
143 <a·id="aa75e86a0a427d4af54577844a8ebe6b6"·name="aa75e86a0a427d4af54577844a8ebe6b6"></a>143 <a·id="aa75e86a0a427d4af54577844a8ebe6b6"·name="aa75e86a0a427d4af54577844a8ebe6b6"></a>
144 <h2·class="memtitle"><span·class="permalink"><a·href="#aa75e86a0a427d4af54577844a8ebe6b6">&#9670;&nbsp;</a></span>HB</h2>144 <h2·class="memtitle"><span·class="permalink"><a·href="#aa75e86a0a427d4af54577844a8ebe6b6">&#9670;&nbsp;</a></span>HB</h2>
  
145 <div·class="memitem">145 <div·class="memitem">
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158 ··</td>158 ··</td>
159 ··<td·class="mlabels-right">159 ··<td·class="mlabels-right">
160 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>160 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
161 ··</tr>161 ··</tr>
162 </table>162 </table>
163 </div><div·class="memdoc">163 </div><div·class="memdoc">
  
164 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00308_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d5/d0f/a00308_source.html">slickScore.h</a>.</p>164 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
  
165 </div>165 </div>
166 </div>166 </div>
167 <a·id="acbc9f12f8cbc82831a8d0bd05df01f66"·name="acbc9f12f8cbc82831a8d0bd05df01f66"></a>167 <a·id="acbc9f12f8cbc82831a8d0bd05df01f66"·name="acbc9f12f8cbc82831a8d0bd05df01f66"></a>
168 <h2·class="memtitle"><span·class="permalink"><a·href="#acbc9f12f8cbc82831a8d0bd05df01f66">&#9670;&nbsp;</a></span>POLAR</h2>168 <h2·class="memtitle"><span·class="permalink"><a·href="#acbc9f12f8cbc82831a8d0bd05df01f66">&#9670;&nbsp;</a></span>POLAR</h2>
  
169 <div·class="memitem">169 <div·class="memitem">
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182 ··</td>182 ··</td>
183 ··<td·class="mlabels-right">183 ··<td·class="mlabels-right">
184 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>184 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
185 ··</tr>185 ··</tr>
186 </table>186 </table>
187 </div><div·class="memdoc">187 </div><div·class="memdoc">
  
188 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00308_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d5/d0f/a00308_source.html">slickScore.h</a>.</p>188 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
  
189 </div>189 </div>
190 </div>190 </div>
191 <a·id="a41e52a3d9a789ccc7668e2e89b2fa201"·name="a41e52a3d9a789ccc7668e2e89b2fa201"></a>191 <a·id="a41e52a3d9a789ccc7668e2e89b2fa201"·name="a41e52a3d9a789ccc7668e2e89b2fa201"></a>
192 <h2·class="memtitle"><span·class="permalink"><a·href="#a41e52a3d9a789ccc7668e2e89b2fa201">&#9670;&nbsp;</a></span>VDW</h2>192 <h2·class="memtitle"><span·class="permalink"><a·href="#a41e52a3d9a789ccc7668e2e89b2fa201">&#9670;&nbsp;</a></span>VDW</h2>
  
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206 ··</td>206 ··</td>
207 ··<td·class="mlabels-right">207 ··<td·class="mlabels-right">
208 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>208 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
209 ··</tr>209 ··</tr>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">ruleProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">bruker2DFile.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d12/a00911_source.html">BALL/MOLMEC/COMMON/ruleEvaluator.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d08/a00884_source.html">BALL/FORMAT/JCAMPFile.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d8/d13/a00671_source.html">BALL/DATATYPE/regularData2D.h</a>&gt;</code><br·/>
76 </div>76 </div>
77 <p><a·href="../../d3/d8a/a00899_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d3/d8a/a00899_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">resourceFile.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">forceField.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../dc/d71/a01664_source.html">BALL/CONCEPT/forwardIterator.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d3/d2d/a01625_source.html">BALL/CONCEPT/visitor.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d8/d2d/a00815_source.html">BALL/CONCEPT/timeStamp.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../db/ddf/a00164_source.html">BALL/MOLMEC/PARAMETER/forceFieldParameters.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/CONCEPT/autoDeletable.h</a>&gt;</code><br·/>79 <code>#include·&lt;<a·class="el"·href="../../d9/db6/a00146_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../d2/d1f/a00083_source.html">BALL/MOLMEC/COMMON/periodicBoundary.h</a>&gt;</code><br·/>
78 <code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>81 <code>#include·&lt;<a·class="el"·href="../../df/d98/a00107_source.html">BALL/MOLMEC/COMMON/atomVector.h</a>&gt;</code><br·/>
79 <code>#include·&lt;<a·class="el"·href="../../db/dbe/a01706_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>82 <code>#include·&lt;vector&gt;</code><br·/>
80 <code>#include·&lt;BALL/FORMAT/resourceFile.iC&gt;</code><br·/>83 <code>#include·&lt;BALL/MOLMEC/COMMON/forceField.iC&gt;</code><br·/>
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82 <p><a·href="../../d3/d8b/a00059_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d3/d8b/a00059_source.html">Go·to·the·source·code·of·this·file.</a></p>
83 <table·class="memberdecls">86 <table·class="memberdecls">
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88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d36/a04430.html">BALL::ResourceEntry::IteratorTraits_</a></td></tr> 
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../dc/d19/a07875.html">List·of·all·members</a>··</div>71 <a·href="../../dc/d19/a07875.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SyncClippingPlanesMessage·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SyncClippingPlanesMessage·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d39/a01112_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::SyncClippingPlanesMessage:</div>77 Inheritance·diagram·for·BALL::VIEW::SyncClippingPlanesMessage:</div>
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79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d3/d8d/a07878.png"·usemap="#BALL::VIEW::SyncClippingPlanesMessage_map"·alt=""/>80 ··<img·src="../../d3/d8d/a07878.png"·usemap="#BALL::VIEW::SyncClippingPlanesMessage_map"·alt=""/>
81 ··<map·id="BALL::VIEW::SyncClippingPlanesMessage_map"·name="BALL::VIEW::SyncClippingPlanesMessage_map">81 ··<map·id="BALL::VIEW::SyncClippingPlanesMessage_map"·name="BALL::VIEW::SyncClippingPlanesMessage_map">
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106 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>106 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>
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112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
113 <a·id="a0d80e886aaf5537655574c476c364016"·name="a0d80e886aaf5537655574c476c364016"></a>113 <a·id="a0d80e886aaf5537655574c476c364016"·name="a0d80e886aaf5537655574c476c364016"></a>
114 <h2·class="memtitle"><span·class="permalink"><a·href="#a0d80e886aaf5537655574c476c364016">&#9670;&nbsp;</a></span>SyncClippingPlanesMessage()</h2>114 <h2·class="memtitle"><span·class="permalink"><a·href="#a0d80e886aaf5537655574c476c364016">&#9670;&nbsp;</a></span>SyncClippingPlanesMessage()</h2>
  
115 <div·class="memitem">115 <div·class="memitem">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_c8e27d334dbf29715d417e80ae19bc06.html">PLUGIN</a></li>··</ul>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">binaryFingerprintMethods.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">pluginManager.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
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75 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
76 <code>#include·&lt;boost/graph/adjacency_list.hpp&gt;</code><br·/> 
77 <code>#include·&lt;boost/graph/graph_traits.hpp&gt;</code><br·/> 
78 <code>#include·&lt;boost/graph/incremental_components.hpp&gt;</code><br·/>76 <code>#include·&lt;QtCore/QString&gt;</code><br·/>
 77 <code>#include·&lt;QtCore/QStringList&gt;</code><br·/>
 78 <code>#include·&lt;QtCore/QHash&gt;</code><br·/>
79 <code>#include·&lt;boost/thread/mutex.hpp&gt;</code><br·/>79 <code>#include·&lt;QtCore/QMutex&gt;</code><br·/>
 80 <code>#include·&lt;QtCore/QReadWriteLock&gt;</code><br·/>
80 <code>#include·&lt;boost/thread/thread.hpp&gt;</code><br·/>81 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/>
81 <code>#include·&lt;boost/unordered_set.hpp&gt;</code><br·/>82 <code>#include·&lt;list&gt;</code><br·/>
82 <code>#include·&lt;map&gt;</code><br·/>83 <code>#include·&lt;map&gt;</code><br·/>
83 <code>#include·&lt;set&gt;</code><br·/> 
84 <code>#include·&lt;vector&gt;</code><br·/> 
85 </div>84 </div>
86 <p><a·href="../../d3/d8e/a00647_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d3/d8e/a00647_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">86 <table·class="memberdecls">
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89 Classes</h2></td></tr>88 Classes</h2></td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dce/a06658.html">BALL::BinaryFingerprintMethods</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d74/a05554.html">BALL::PluginManager</a></td></tr>
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92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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69 ··<div·class="summary">69 ··<div·class="summary">
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72 ··<div·class="headertitle"><div·class="title">BALL::PairExpRDFIntegrator::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PairExpRDFIntegrator::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../de/dc3/a01787_source.html">BALL/SOLVATION/pairExpRDFIntegrator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d1/db0/a01928_source.html">BALL/SOLVATION/pairExpRDFIntegrator.h</a>&gt;</code></p>
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79 <tr·class="memitem:a06f2a4680e4fb824a21eede8162a3e62"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d8f/a06534.html#a06f2a4680e4fb824a21eede8162a3e62">VERBOSITY</a></td></tr>79 <tr·class="memitem:a06f2a4680e4fb824a21eede8162a3e62"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d8f/a06534.html#a06f2a4680e4fb824a21eede8162a3e62">VERBOSITY</a></td></tr>
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82 <tr·class="separator:adb89e899012b5c4942cd5f4d769a1c19"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:adb89e899012b5c4942cd5f4d769a1c19"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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89 <h2·class="memtitle"><span·class="permalink"><a·href="#adb89e899012b5c4942cd5f4d769a1c19">&#9670;&nbsp;</a></span>SAMPLES</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#adb89e899012b5c4942cd5f4d769a1c19">&#9670;&nbsp;</a></span>SAMPLES</h2>
  
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110 <dl·class="params"><dt>Parameters</dt><dd>110 <dl·class="params"><dt>Parameters</dt><dd>
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114 ··</dd>114 ··</dd>
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116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dc3/a01787_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../de/dc3/a01787_source.html">pairExpRDFIntegrator.h</a>.</p>116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/db0/a01928_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d1/db0/a01928_source.html">pairExpRDFIntegrator.h</a>.</p>
  
117 </div>117 </div>
118 </div>118 </div>
119 <a·id="a06f2a4680e4fb824a21eede8162a3e62"·name="a06f2a4680e4fb824a21eede8162a3e62"></a>119 <a·id="a06f2a4680e4fb824a21eede8162a3e62"·name="a06f2a4680e4fb824a21eede8162a3e62"></a>
120 <h2·class="memtitle"><span·class="permalink"><a·href="#a06f2a4680e4fb824a21eede8162a3e62">&#9670;&nbsp;</a></span>VERBOSITY</h2>120 <h2·class="memtitle"><span·class="permalink"><a·href="#a06f2a4680e4fb824a21eede8162a3e62">&#9670;&nbsp;</a></span>VERBOSITY</h2>
  
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141 <dl·class="params"><dt>Parameters</dt><dd>141 <dl·class="params"><dt>Parameters</dt><dd>
142 ··<table·class="params">142 ··<table·class="params">
143 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>143 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>
144 ··</table>144 ··</table>
145 ··</dd>145 ··</dd>
146 </dl>146 </dl>
  
147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dc3/a01787_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../de/dc3/a01787_source.html">pairExpRDFIntegrator.h</a>.</p>147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/db0/a01928_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d1/db0/a01928_source.html">pairExpRDFIntegrator.h</a>.</p>
  
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149 </div>149 </div>
150 </div><!--·contents·-->150 </div><!--·contents·-->
151 <!--·start·footer·part·-->151 <!--·start·footer·part·-->
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../d2/db4/a03695.html">List·of·all·members</a>··</div>72 <a·href="../../d2/db4/a03695.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::ClusterTreeWriter_·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::ClusterTreeWriter_·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d3/d87/a00539_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d5/d10/a01571_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a8f0c902e42a39e82ea753a5f820e01d9"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d94/a03698.html#a8f0c902e42a39e82ea753a5f820e01d9">ClusterTreeWriter_</a>·(<a·class="el"·href="../../d0/d1e/a03674.html#a9ac37589c086f7b03e78073fe2d6ea07">ClusterTree</a>·const·*cluster_tree)</td></tr>80 <tr·class="memitem:a8f0c902e42a39e82ea753a5f820e01d9"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d94/a03698.html#a8f0c902e42a39e82ea753a5f820e01d9">ClusterTreeWriter_</a>·(<a·class="el"·href="../../d0/d1e/a03674.html#a9ac37589c086f7b03e78073fe2d6ea07">ClusterTree</a>·const·*cluster_tree)</td></tr>
81 <tr·class="separator:a8f0c902e42a39e82ea753a5f820e01d9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a8f0c902e42a39e82ea753a5f820e01d9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:a71139a0959b1f55098529b67703e7c63"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d94/a03698.html#a71139a0959b1f55098529b67703e7c63">operator()</a>·(std::ostream·&amp;out,·const·<a·class="el"·href="../../d0/d1e/a03674.html#ab8c5a0ea661807d606715c417e20c2c2">ClusterTreeNode</a>·&amp;v)·const</td></tr>82 <tr·class="memitem:a71139a0959b1f55098529b67703e7c63"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d94/a03698.html#a71139a0959b1f55098529b67703e7c63">operator()</a>·(std::ostream·&amp;out,·const·<a·class="el"·href="../../d0/d1e/a03674.html#ab8c5a0ea661807d606715c417e20c2c2">ClusterTreeNode</a>·&amp;v)·const</td></tr>
83 <tr·class="separator:a71139a0959b1f55098529b67703e7c63"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:a71139a0959b1f55098529b67703e7c63"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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87 Protected·Attributes</h2></td></tr>87 Protected·Attributes</h2></td></tr>
88 <tr·class="memitem:ac4a4ce45a64de510e085698f30e3bf02"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d0/d1e/a03674.html#a9ac37589c086f7b03e78073fe2d6ea07">ClusterTree</a>·const··*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d94/a03698.html#ac4a4ce45a64de510e085698f30e3bf02">cluster_tree_</a></td></tr>88 <tr·class="memitem:ac4a4ce45a64de510e085698f30e3bf02"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d0/d1e/a03674.html#a9ac37589c086f7b03e78073fe2d6ea07">ClusterTree</a>·const··*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d94/a03698.html#ac4a4ce45a64de510e085698f30e3bf02">cluster_tree_</a></td></tr>
89 <tr·class="separator:ac4a4ce45a64de510e085698f30e3bf02"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ac4a4ce45a64de510e085698f30e3bf02"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p·>A·nested·class·used·for·exporting·cluster·trees·to·graphviz·format·</p>92 <div·class="textblock"><p·>A·nested·class·used·for·exporting·cluster·trees·to·graphviz·format·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00563">563</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00563">563</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
94 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>94 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
95 <a·id="a8f0c902e42a39e82ea753a5f820e01d9"·name="a8f0c902e42a39e82ea753a5f820e01d9"></a>95 <a·id="a8f0c902e42a39e82ea753a5f820e01d9"·name="a8f0c902e42a39e82ea753a5f820e01d9"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a8f0c902e42a39e82ea753a5f820e01d9">&#9670;&nbsp;</a></span>ClusterTreeWriter_()</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a8f0c902e42a39e82ea753a5f820e01d9">&#9670;&nbsp;</a></span>ClusterTreeWriter_()</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 <table·class="mlabels">99 <table·class="mlabels">
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113 ··</td>113 ··</td>
114 ··<td·class="mlabels-right">114 ··<td·class="mlabels-right">
115 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>115 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
116 ··</tr>116 ··</tr>
117 </table>117 </table>
118 </div><div·class="memdoc">118 </div><div·class="memdoc">
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00566">566</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00566">566</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
120 </div>120 </div>
121 </div>121 </div>
122 <h2·class="groupheader">Member·Function·Documentation</h2>122 <h2·class="groupheader">Member·Function·Documentation</h2>
123 <a·id="a71139a0959b1f55098529b67703e7c63"·name="a71139a0959b1f55098529b67703e7c63"></a>123 <a·id="a71139a0959b1f55098529b67703e7c63"·name="a71139a0959b1f55098529b67703e7c63"></a>
124 <h2·class="memtitle"><span·class="permalink"><a·href="#a71139a0959b1f55098529b67703e7c63">&#9670;&nbsp;</a></span>operator()()</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#a71139a0959b1f55098529b67703e7c63">&#9670;&nbsp;</a></span>operator()()</h2>
  
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167 ··</td>167 ··</td>
168 ··<td·class="mlabels-right">168 ··<td·class="mlabels-right">
169 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>169 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
170 ··</tr>170 ··</tr>
171 </table>171 </table>
172 </div><div·class="memdoc">172 </div><div·class="memdoc">
  
173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00573">573</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00573">573</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
174 </div>174 </div>
175 </div>175 </div>
176 </div><!--·contents·-->176 </div><!--·contents·-->
177 <!--·start·footer·part·-->177 <!--·start·footer·part·-->
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">RMSDMinimizer.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">comparator.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d94/a00716_source.html">BALL/STRUCTURE/atomBijection.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d7/d02/a01808_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/> 
76 </div>75 </div>
77 <p><a·href="../../d3/d95/a00779_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d3/d95/a00779_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">77 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>79 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd9/a07102.html">BALL::RMSDMinimizer</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d19/a03242.html">BALL::Comparator&lt;·T·&gt;</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da2/a07106.html">BALL::RMSDMinimizer::IncompatibleCoordinateSets</a></td></tr> 
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d25/a07110.html">BALL::RMSDMinimizer::TooFewCoordinates</a></td></tr> 
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
89 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../dd/d01/a05851.html">List·of·all·members</a>··</div>72 <a·href="../../dd/d01/a05851.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::RingPerceptionProcessor::TNode_·Struct·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::RingPerceptionProcessor::TNode_·Struct·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d2/dea/a02057_source.html">BALL/QSAR/ringPerceptionProcessor.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d3/d29/a00419_source.html">BALL/QSAR/ringPerceptionProcessor.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:ae4a37abf114fd1eec7cfde817658e903"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d9f/a05854.html#ae4a37abf114fd1eec7cfde817658e903">recieve</a>·()</td></tr>80 <tr·class="memitem:ae4a37abf114fd1eec7cfde817658e903"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d9f/a05854.html#ae4a37abf114fd1eec7cfde817658e903">recieve</a>·()</td></tr>
81 <tr·class="memdesc:ae4a37abf114fd1eec7cfde817658e903"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">method·to·process·the·messages·in·the·recieve·buffer··<a·href="../../d3/d9f/a05854.html#ae4a37abf114fd1eec7cfde817658e903">More...</a><br·/></td></tr>81 <tr·class="memdesc:ae4a37abf114fd1eec7cfde817658e903"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">method·to·process·the·messages·in·the·recieve·buffer··<a·href="../../d3/d9f/a05854.html#ae4a37abf114fd1eec7cfde817658e903">More...</a><br·/></td></tr>
82 <tr·class="separator:ae4a37abf114fd1eec7cfde817658e903"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:ae4a37abf114fd1eec7cfde817658e903"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a93877d323429c575be355458476fca80"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d9f/a05854.html#a93877d323429c575be355458476fca80">send</a>·()</td></tr>83 <tr·class="memitem:a93877d323429c575be355458476fca80"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d9f/a05854.html#a93877d323429c575be355458476fca80">send</a>·()</td></tr>
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98 <tr·class="separator:a3bedc238644caa576c098ed1ef238e95"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:a3bedc238644caa576c098ed1ef238e95"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 <tr·class="memitem:a9d0a74662d1a941b26bcd67538f683b6"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../db/d7c/a05858.html">PathMessage_</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d9f/a05854.html#a9d0a74662d1a941b26bcd67538f683b6">send_buffer</a></td></tr>99 <tr·class="memitem:a9d0a74662d1a941b26bcd67538f683b6"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../db/d7c/a05858.html">PathMessage_</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d9f/a05854.html#a9d0a74662d1a941b26bcd67538f683b6">send_buffer</a></td></tr>
100 <tr·class="memdesc:a9d0a74662d1a941b26bcd67538f683b6"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">the·send·buffer,·where·messages·are·stored·in··<a·href="../../d3/d9f/a05854.html#a9d0a74662d1a941b26bcd67538f683b6">More...</a><br·/></td></tr>100 <tr·class="memdesc:a9d0a74662d1a941b26bcd67538f683b6"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">the·send·buffer,·where·messages·are·stored·in··<a·href="../../d3/d9f/a05854.html#a9d0a74662d1a941b26bcd67538f683b6">More...</a><br·/></td></tr>
101 <tr·class="separator:a9d0a74662d1a941b26bcd67538f683b6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>101 <tr·class="separator:a9d0a74662d1a941b26bcd67538f683b6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 </table>102 </table>
103 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>103 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
104 <div·class="textblock">104 <div·class="textblock">
105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dea/a02057_source.html#l00097">97</a>·of·file·<a·class="el"·href="../../d2/dea/a02057_source.html">ringPerceptionProcessor.h</a>.</p>105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00097">97</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">ringPerceptionProcessor.h</a>.</p>
106 </div><h2·class="groupheader">Member·Function·Documentation</h2>106 </div><h2·class="groupheader">Member·Function·Documentation</h2>
107 <a·id="a50340eaa86e9d01ce564661fe2bfcd32"·name="a50340eaa86e9d01ce564661fe2bfcd32"></a>107 <a·id="a50340eaa86e9d01ce564661fe2bfcd32"·name="a50340eaa86e9d01ce564661fe2bfcd32"></a>
108 <h2·class="memtitle"><span·class="permalink"><a·href="#a50340eaa86e9d01ce564661fe2bfcd32">&#9670;&nbsp;</a></span>haveSingleIntersection()</h2>108 <h2·class="memtitle"><span·class="permalink"><a·href="#a50340eaa86e9d01ce564661fe2bfcd32">&#9670;&nbsp;</a></span>haveSingleIntersection()</h2>
  
109 <div·class="memitem">109 <div·class="memitem">
110 <div·class="memproto">110 <div·class="memproto">
111 ······<table·class="memname">111 ······<table·class="memname">
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237 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../db/d7c/a05858.html">PathMessage_</a>&gt;·BALL::RingPerceptionProcessor::TNode_::recieve_buffer</td>237 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../db/d7c/a05858.html">PathMessage_</a>&gt;·BALL::RingPerceptionProcessor::TNode_::recieve_buffer</td>
238 ········</tr>238 ········</tr>
239 ······</table>239 ······</table>
240 </div><div·class="memdoc">240 </div><div·class="memdoc">
  
241 <p>the·recieve·buffer,·where·messages·are·stored·in·</p>241 <p>the·recieve·buffer,·where·messages·are·stored·in·</p>
  
242 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dea/a02057_source.html#l00112">112</a>·of·file·<a·class="el"·href="../../d2/dea/a02057_source.html">ringPerceptionProcessor.h</a>.</p>242 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00112">112</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">ringPerceptionProcessor.h</a>.</p>
  
243 </div>243 </div>
244 </div>244 </div>
245 <a·id="a9d0a74662d1a941b26bcd67538f683b6"·name="a9d0a74662d1a941b26bcd67538f683b6"></a>245 <a·id="a9d0a74662d1a941b26bcd67538f683b6"·name="a9d0a74662d1a941b26bcd67538f683b6"></a>
246 <h2·class="memtitle"><span·class="permalink"><a·href="#a9d0a74662d1a941b26bcd67538f683b6">&#9670;&nbsp;</a></span>send_buffer</h2>246 <h2·class="memtitle"><span·class="permalink"><a·href="#a9d0a74662d1a941b26bcd67538f683b6">&#9670;&nbsp;</a></span>send_buffer</h2>
  
247 <div·class="memitem">247 <div·class="memitem">
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255 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../db/d7c/a05858.html">PathMessage_</a>&gt;·BALL::RingPerceptionProcessor::TNode_::send_buffer</td>255 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../db/d7c/a05858.html">PathMessage_</a>&gt;·BALL::RingPerceptionProcessor::TNode_::send_buffer</td>
256 ········</tr>256 ········</tr>
257 ······</table>257 ······</table>
258 </div><div·class="memdoc">258 </div><div·class="memdoc">
  
259 <p>the·send·buffer,·where·messages·are·stored·in·</p>259 <p>the·send·buffer,·where·messages·are·stored·in·</p>
  
260 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dea/a02057_source.html#l00115">115</a>·of·file·<a·class="el"·href="../../d2/dea/a02057_source.html">ringPerceptionProcessor.h</a>.</p>260 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00115">115</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">ringPerceptionProcessor.h</a>.</p>
  
261 </div>261 </div>
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8 <title>BALL:·persistentObject.h·File·Reference</title>8 <title>BALL:·anisotropyShiftProcessor.h·File·Reference</title>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">persistentObject.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">anisotropyShiftProcessor.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d79/a01658_source.html">BALL/CONCEPT/object.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;list&gt;</code><br·/>
75 </div>78 </div>
76 <p><a·href="../../d3/da1/a01613_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d3/da1/a01613_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">80 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>82 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d6e/a03314.html">BALL::PersistentObject</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d2b/a05454.html">BALL::AnisotropyShiftProcessor</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">85 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
84 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="#pub-types">Public·Types</a>·&#124;71 <a·href="#pub-types">Public·Types</a>·&#124;
72 <a·href="../../dd/d51/a06275.html">List·of·all·members</a>··</div>72 <a·href="../../dd/d51/a06275.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::HydrogenBond·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::HydrogenBond·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d5/df1/a00206_source.html">BALL/SCORING/COMPONENTS/hydrogenBond.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d6/d5b/a02078_source.html">BALL/SCORING/COMPONENTS/hydrogenBond.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::HydrogenBond:</div>78 Inheritance·diagram·for·BALL::HydrogenBond:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d3/da1/a06278.png"·usemap="#BALL::HydrogenBond_map"·alt=""/>81 ··<img·src="../../d3/da1/a06278.png"·usemap="#BALL::HydrogenBond_map"·alt=""/>
82 ··<map·id="BALL::HydrogenBond_map"·name="BALL::HydrogenBond_map">82 ··<map·id="BALL::HydrogenBond_map"·name="BALL::HydrogenBond_map">
83 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>83 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
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220 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>220 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
221 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>221 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
222 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>222 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
223 </table>223 </table>
224 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>224 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
225 <div·class="textblock"><p·>Fresno·Hydrogen·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·component.·</p>225 <div·class="textblock"><p·>Fresno·Hydrogen·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·component.·</p>
  
226 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/df1/a00206_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d5/df1/a00206_source.html">hydrogenBond.h</a>.</p>226 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d5b/a02078_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d6/d5b/a02078_source.html">hydrogenBond.h</a>.</p>
227 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>227 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
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245 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/df1/a00206_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../d5/df1/a00206_source.html">hydrogenBond.h</a>.</p>245 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d5b/a02078_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../d6/d5b/a02078_source.html">hydrogenBond.h</a>.</p>
  
246 </div>246 </div>
247 </div>247 </div>
248 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>248 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
249 <a·id="a9c652de16ae5e9280bffc4861779e07a"·name="a9c652de16ae5e9280bffc4861779e07a"></a>249 <a·id="a9c652de16ae5e9280bffc4861779e07a"·name="a9c652de16ae5e9280bffc4861779e07a"></a>
250 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c652de16ae5e9280bffc4861779e07a">&#9670;&nbsp;</a></span>HydrogenBond()·<span·class="overload">[1/4]</span></h2>250 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c652de16ae5e9280bffc4861779e07a">&#9670;&nbsp;</a></span>HydrogenBond()·<span·class="overload">[1/4]</span></h2>
  
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71 ··<div·class="headertitle"><div·class="title">MMFF94ConfigurationDialog.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">colorUnit.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
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76 <code>#include·&lt;BALL/VIEW/UIC/ui_MMFF94ConfigurationDialog.h&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/MATHS/common.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;iostream&gt;</code><br·/>
 78 <code>#include·&lt;cstdio&gt;</code><br·/>
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78 <p><a·href="../../d3/da4/a01343_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../d3/da4/a01343_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">82 <table·class="memberdecls">
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66 </div><!--·top·-->66 </div><!--·top·-->
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73 <div·class="contents">73 <div·class="contents">
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77 </div>76 </div>
78 <p><a·href="../../d3/da5/a01598_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d3/da5/a01598_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">78 <table·class="memberdecls">
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85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
86 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
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88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::HeadTrackingEvent·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::HeadTrackingEvent·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d0b/a01253_source.html">BALL/VIEW/INPUT/headTrackingEvent.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/dd1/a01334_source.html">BALL/VIEW/INPUT/headTrackingEvent.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::HeadTrackingEvent:</div>77 Inheritance·diagram·for·BALL::VIEW::HeadTrackingEvent:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d3/da5/a07762.png"·usemap="#BALL::VIEW::HeadTrackingEvent_map"·alt=""/>80 ··<img·src="../../d3/da5/a07762.png"·usemap="#BALL::VIEW::HeadTrackingEvent_map"·alt=""/>
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99 <tr·class="memitem:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbf/a07754.html#a9782e224d9fccb38e5e600ef01fe35a7">getDevice</a>·()</td></tr>99 <tr·class="memitem:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbf/a07754.html#a9782e224d9fccb38e5e600ef01fe35a7">getDevice</a>·()</td></tr>
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101 </table>101 </table>
102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
103 <div·class="textblock">103 <div·class="textblock">
104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d0b/a01253_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d3/d0b/a01253_source.html">headTrackingEvent.h</a>.</p>104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd1/a01334_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d4/dd1/a01334_source.html">headTrackingEvent.h</a>.</p>
105 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>105 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
106 <a·id="a865562587e7d3dd95b05fa8250dcee6a"·name="a865562587e7d3dd95b05fa8250dcee6a"></a>106 <a·id="a865562587e7d3dd95b05fa8250dcee6a"·name="a865562587e7d3dd95b05fa8250dcee6a"></a>
107 <h2·class="memtitle"><span·class="permalink"><a·href="#a865562587e7d3dd95b05fa8250dcee6a">&#9670;&nbsp;</a></span>HeadTrackingEvent()</h2>107 <h2·class="memtitle"><span·class="permalink"><a·href="#a865562587e7d3dd95b05fa8250dcee6a">&#9670;&nbsp;</a></span>HeadTrackingEvent()</h2>
  
108 <div·class="memitem">108 <div·class="memitem">
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193 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d0b/a01253_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d3/d0b/a01253_source.html">headTrackingEvent.h</a>.</p>193 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd1/a01334_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d4/dd1/a01334_source.html">headTrackingEvent.h</a>.</p>
  
194 </div>194 </div>
195 </div>195 </div>
196 <a·id="afe7d6bd6e1b6f2e77d4e096b7314d9e5"·name="afe7d6bd6e1b6f2e77d4e096b7314d9e5"></a>196 <a·id="afe7d6bd6e1b6f2e77d4e096b7314d9e5"·name="afe7d6bd6e1b6f2e77d4e096b7314d9e5"></a>
197 <h2·class="memtitle"><span·class="permalink"><a·href="#afe7d6bd6e1b6f2e77d4e096b7314d9e5">&#9670;&nbsp;</a></span>getTransform()</h2>197 <h2·class="memtitle"><span·class="permalink"><a·href="#afe7d6bd6e1b6f2e77d4e096b7314d9e5">&#9670;&nbsp;</a></span>getTransform()</h2>
  
198 <div·class="memitem">198 <div·class="memitem">
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214 ··</td>214 ··</td>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">HTMLView.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">sideChainOptimizer.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
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75 <code>#include·&lt;BALL/VIEW/UIC/ui_HTMLViewErrorWidget.h&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d6/d27/a01781_source.html">BALL/STRUCTURE/rotamerLibrary.h</a>&gt;</code><br·/>
76 <code>#include·&lt;QtCore/QUrl&gt;</code><br·/>76 <code>#include·&lt;set&gt;</code><br·/>
77 <code>#include·&lt;QtWebEngineWidgets/QWebEngineView&gt;</code><br·/>77 <code>#include·&lt;list&gt;</code><br·/>
78 </div>78 </div>
79 <p><a·href="../../d3/daa/a01577_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d3/daa/a01577_source.html">Go·to·the·source·code·of·this·file.</a></p>
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83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc6/a08422.html">BALL::VIEW::HTMLViewErrorWidget</a></td></tr> 
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d29/a08426.html">BALL::VIEW::HTMLView</a></td></tr> 
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dea/a08430.html">BALL::VIEW::HTMLViewDock</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/daf/a03718.html">BALL::SideChainOptimizer</a></td></tr>
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91 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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71 ··<div·class="headertitle"><div·class="title">BALL::ExpressionPredicate·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d2/da0/a02149.html">Kernel·Predicates</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::ExpressionPredicate·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d2/da0/a02149.html">Kernel·Predicates</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d6/d80/a00371_source.html">BALL/KERNEL/expressionPredicate.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d8/df0/a00557_source.html">BALL/KERNEL/expressionPredicate.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::ExpressionPredicate:</div>76 Inheritance·diagram·for·BALL::ExpressionPredicate:</div>
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141 <tr·class="memitem:ab2ac411ffdb2c9e1d2bb417047586d49"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#ab2ac411ffdb2c9e1d2bb417047586d49">setArgument</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;argument)</td></tr>141 <tr·class="memitem:ab2ac411ffdb2c9e1d2bb417047586d49"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#ab2ac411ffdb2c9e1d2bb417047586d49">setArgument</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;argument)</td></tr>
142 <tr·class="separator:ab2ac411ffdb2c9e1d2bb417047586d49"><td·class="memSeparator"·colspan="2">&#160;</td></tr>142 <tr·class="separator:ab2ac411ffdb2c9e1d2bb417047586d49"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
143 <tr·class="memitem:ad0b1569d40e2b70195867b4e7c60bce3"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#ad0b1569d40e2b70195867b4e7c60bce3">getArgument</a>·()·const</td></tr>143 <tr·class="memitem:ad0b1569d40e2b70195867b4e7c60bce3"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#ad0b1569d40e2b70195867b4e7c60bce3">getArgument</a>·()·const</td></tr>
144 <tr·class="separator:ad0b1569d40e2b70195867b4e7c60bce3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>144 <tr·class="separator:ad0b1569d40e2b70195867b4e7c60bce3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
145 </table>145 </table>
146 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>146 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
147 <div·class="textblock"><p·><a·class="el"·href="../../d3/dae/a04518.html">ExpressionPredicate</a>.·The·base·class·for·all·kernel·predicates·(defined·in·<a·class="el"·href="../../d1/dc6/a00347.html">BALL/KERNEL/standardPredicates.h</a>·and·used·by·<a·class="el"·href="../../d7/dba/a04502.html">Expression·</a>·.·You·have·to·derive·your·own·predicate·classes·from·this·class·if·you·want·to·use·(and·register)·them·with·<a·class="el"·href="../../d7/dba/a04502.html">Expression·</a>·.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>147 <div·class="textblock"><p·><a·class="el"·href="../../d3/dae/a04518.html">ExpressionPredicate</a>.·The·base·class·for·all·kernel·predicates·(defined·in·<a·class="el"·href="../../de/d4e/a00500.html">BALL/KERNEL/standardPredicates.h</a>·and·used·by·<a·class="el"·href="../../d7/dba/a04502.html">Expression·</a>·.·You·have·to·derive·your·own·predicate·classes·from·this·class·if·you·want·to·use·(and·register)·them·with·<a·class="el"·href="../../d7/dba/a04502.html">Expression·</a>·.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
148 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d7/dba/a04502.html">Expression</a>·</dd></dl>148 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d7/dba/a04502.html">Expression</a>·</dd></dl>
  
149 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d80/a00371_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d6/d80/a00371_source.html">expressionPredicate.h</a>.</p>149 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/df0/a00557_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d8/df0/a00557_source.html">expressionPredicate.h</a>.</p>
150 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>150 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
151 <a·id="a4c0d0da91d0630275eb6241a073ee66b"·name="a4c0d0da91d0630275eb6241a073ee66b"></a>151 <a·id="a4c0d0da91d0630275eb6241a073ee66b"·name="a4c0d0da91d0630275eb6241a073ee66b"></a>
152 <h2·class="memtitle"><span·class="permalink"><a·href="#a4c0d0da91d0630275eb6241a073ee66b">&#9670;&nbsp;</a></span>ExpressionPredicate()·<span·class="overload">[1/3]</span></h2>152 <h2·class="memtitle"><span·class="permalink"><a·href="#a4c0d0da91d0630275eb6241a073ee66b">&#9670;&nbsp;</a></span>ExpressionPredicate()·<span·class="overload">[1/3]</span></h2>
  
153 <div·class="memitem">153 <div·class="memitem">
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408 ··</td>408 ··</td>
409 ··<td·class="mlabels-right">409 ··<td·class="mlabels-right">
410 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>410 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
411 ··</tr>411 ··</tr>
412 </table>412 </table>
413 </div><div·class="memdoc">413 </div><div·class="memdoc">
  
414 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d80/a00371_source.html#l00103">103</a>·of·file·<a·class="el"·href="../../d6/d80/a00371_source.html">expressionPredicate.h</a>.</p>414 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/df0/a00557_source.html#l00103">103</a>·of·file·<a·class="el"·href="../../d8/df0/a00557_source.html">expressionPredicate.h</a>.</p>
  
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath"> 
63 ··<ul> 
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul> 
65 </div> 
66 </div><!--·top·-->62 </div><!--·top·-->
67 <div·class="header">63 <div·class="header">
68 ··<div·class="summary"> 
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71 ··<div·class="headertitle"><div·class="title">CHPISlick.h·File·Reference</div></div>64 ··<div·class="headertitle"><div·class="title">minimization.doc·File·Reference</div></div>
72 </div><!--header-->65 </div><!--header-->
73 <div·class="contents">66 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/dc8/a00242_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/> 
77 </div> 
78 <p><a·href="../../d3/db1/a00200_source.html">Go·to·the·source·code·of·this·file.</a></p> 
79 <table·class="memberdecls"> 
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
81 Classes</h2></td></tr> 
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83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9a/a06250.html">BALL::CHPISlick::AromaticRing</a></td></tr> 
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3a/a06254.html">BALL::CHPISlick::CHGroup</a></td></tr> 
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd2/a06258.html">BALL::CHPISlick::Option</a></td></tr> 
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d8a/a06262.html">BALL::CHPISlick::Default</a></td></tr> 
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
92 </table><table·class="memberdecls"> 
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
94 Namespaces</h2></td></tr> 
95 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">chargeRuleProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">SDFile.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d8a/a00899_source.html">BALL/MOLMEC/COMMON/ruleProcessor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d54/a00938_source.html">BALL/FORMAT/MOLFile.h</a>&gt;</code><br·/>
75 </div>75 </div>
76 <p><a·href="../../d3/db2/a00869_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d3/db2/a00869_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>79 Classes</h2></td></tr>
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81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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59 ········name="MSearchResults"·id="MSearchResults">59 ········name="MSearchResults"·id="MSearchResults">
60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
 68 ··<div·class="summary">
 69 <a·href="#nested-classes">Classes</a>·&#124;
 70 <a·href="#namespaces">Namespaces</a>··</div>
68 ··<div·class="headertitle"><div·class="title">common.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">scene.h·File·Reference</div></div>
69 </div><!--header-->72 </div><!--header-->
70 <div·class="contents">73 <div·class="contents">
71 <div·class="textblock"><code>#include·&lt;BALL/CONFIG/config.h&gt;</code><br·/> 
72 <code>#include·&lt;<a·class="el"·href="../../d1/dd8/a01022_source.html">BALL/COMMON/debug.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
73 <code>#include·&lt;<a·class="el"·href="../../db/daf/a01019_source.html">BALL/COMMON/create.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d3/dbc/a01451_source.html">BALL/VIEW/RENDERING/RENDERERS/glRenderer.h</a>&gt;</code><br·/>
74 <code>#include·&lt;<a·class="el"·href="../../db/d23/a01025_source.html">BALL/COMMON/version.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../de/def/a01016_source.html">BALL/COMMON/macros.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/COMMON/logStream.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d4/d3c/a01418_source.html">BALL/VIEW/RENDERING/renderWindow.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d5/da5/a01424_source.html">BALL/VIEW/RENDERING/glRenderWindow.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d2/d9b/a01433_source.html">BALL/VIEW/RENDERING/renderSetup.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../da/d19/a01217_source.html">BALL/VIEW/DIALOGS/editSettings.h</a>&gt;</code><br·/>
 81 <code>#include·&lt;<a·class="el"·href="../../df/d59/a01001_source.html">BALL/VIEW/KERNEL/editOperation.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../db/d23/a01025_source.html">BALL/VIEW/KERNEL/MODES/interactionModeManager.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;QtCore/QThread&gt;</code><br·/>
 84 <code>#include·&lt;QtCore/QTimer&gt;</code><br·/>
 85 <code>#include·&lt;QtGui/QDragEnterEvent&gt;</code><br·/>
 86 <code>#include·&lt;QtGui/QDropEvent&gt;</code><br·/>
 87 <code>#include·&lt;QtWidgets/QToolBar&gt;</code><br·/>
 88 <code>#include·&lt;QtGui/QFont&gt;</code><br·/>
 89 <code>#include·&lt;QtGui/QPicture&gt;</code><br·/>
 90 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/>
78 </div>91 </div>
79 <p><a·href="../../d3/dbd/a01100_source.html">Go·to·the·source·code·of·this·file.</a></p>92 <p><a·href="../../d3/dbd/a01100_source.html">Go·to·the·source·code·of·this·file.</a></p>
 93 <table·class="memberdecls">
 94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
 95 Classes</h2></td></tr>
 96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d15/a08526.html">BALL::VIEW::Scene</a></td></tr>
 97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d71/a08530.html">BALL::VIEW::AnimationThread</a></td></tr>
 99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 100 </table><table·class="memberdecls">
 101 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
 102 Namespaces</h2></td></tr>
 103 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
 104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 105 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 106 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 107 </table>
80 </div><!--·contents·-->108 </div><!--·contents·-->
81 <!--·start·footer·part·-->109 <!--·start·footer·part·-->
82 <hr·class="footer"/><address·class="footer"><small>110 <hr·class="footer"/><address·class="footer"><small>
83 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4111 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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124 <div·class="line"><a·id="l00066"·name="l00066"></a><span·class="lineno">···66</span><span·class="keyword">··</span>{</div>124 <div·class="line"><a·id="l00066"·name="l00066"></a><span·class="lineno">···66</span><span·class="keyword">··</span>{</div>
125 <div·class="line"><a·id="l00067"·name="l00067"></a><span·class="lineno">···67</span>····<span·class="keywordflow">return</span>·<span·class="keyword">true</span>;</div>125 <div·class="line"><a·id="l00067"·name="l00067"></a><span·class="lineno">···67</span>····<span·class="keywordflow">return</span>·<span·class="keyword">true</span>;</div>
126 <div·class="line"><a·id="l00068"·name="l00068"></a><span·class="lineno">···68</span>··}</div>126 <div·class="line"><a·id="l00068"·name="l00068"></a><span·class="lineno">···68</span>··}</div>
127 <div·class="line"><a·id="l00070"·name="l00070"></a><span·class="lineno">···70</span>}·<span·class="comment">//·namespace·BALL</span></div>127 <div·class="line"><a·id="l00070"·name="l00070"></a><span·class="lineno">···70</span>}·<span·class="comment">//·namespace·BALL</span></div>
128 <div·class="line"><a·id="l00071"·name="l00071"></a><span·class="lineno">···71</span>·</div>128 <div·class="line"><a·id="l00071"·name="l00071"></a><span·class="lineno">···71</span>·</div>
129 <div·class="line"><a·id="l00072"·name="l00072"></a><span·class="lineno">···72</span>·</div>129 <div·class="line"><a·id="l00072"·name="l00072"></a><span·class="lineno">···72</span>·</div>
130 <div·class="line"><a·id="l00073"·name="l00073"></a><span·class="lineno">···73</span><span·class="preprocessor">#endif·</span><span·class="comment">//·BALL_CONCEPT_PREDICATE_H</span></div>130 <div·class="line"><a·id="l00073"·name="l00073"></a><span·class="lineno">···73</span><span·class="preprocessor">#endif·</span><span·class="comment">//·BALL_CONCEPT_PREDICATE_H</span></div>
131 <div·class="ttc"·id="aa02217_html"><div·class="ttname"><a·href="../../da/da2/a02217.html">BALL</a></div><div·class="ttdef"><b>Definition:</b>·<a·href="../../d0/d2b/a01010_source.html#l00012">constants.h:13</a></div></div>131 <div·class="ttc"·id="aa02217_html"><div·class="ttname"><a·href="../../da/da2/a02217.html">BALL</a></div><div·class="ttdef"><b>Definition:</b>·<a·href="../../da/dd1/a00629_source.html#l00012">constants.h:13</a></div></div>
132 <div·class="ttc"·id="aa03318_html"><div·class="ttname"><a·href="../../d0/d7c/a03318.html">BALL::UnaryPredicate</a></div><div·class="ttdef"><b>Definition:</b>·<a·href="../../d3/dbe/a20359_source.html#l00028">CONCEPT/predicate.h:30</a></div></div>132 <div·class="ttc"·id="aa03318_html"><div·class="ttname"><a·href="../../d0/d7c/a03318.html">BALL::UnaryPredicate</a></div><div·class="ttdef"><b>Definition:</b>·<a·href="../../d3/dbe/a20359_source.html#l00028">CONCEPT/predicate.h:30</a></div></div>
133 <div·class="ttc"·id="aa03318_html_a58024bee9a55242839b214d7e45d067c"><div·class="ttname"><a·href="../../d0/d7c/a03318.html#a58024bee9a55242839b214d7e45d067c">BALL::UnaryPredicate::operator()</a></div><div·class="ttdeci">virtual·bool·operator()(const·T·&amp;)·const</div><div·class="ttdef"><b>Definition:</b>·<a·href="../../d3/dbe/a20359_source.html#l00057">CONCEPT/predicate.h:57</a></div></div>133 <div·class="ttc"·id="aa03318_html_a58024bee9a55242839b214d7e45d067c"><div·class="ttname"><a·href="../../d0/d7c/a03318.html#a58024bee9a55242839b214d7e45d067c">BALL::UnaryPredicate::operator()</a></div><div·class="ttdeci">virtual·bool·operator()(const·T·&amp;)·const</div><div·class="ttdef"><b>Definition:</b>·<a·href="../../d3/dbe/a20359_source.html#l00057">CONCEPT/predicate.h:57</a></div></div>
134 <div·class="ttc"·id="aa03318_html_af40a8c0bd6cf2bafaa4f0b1aad210eb9"><div·class="ttname"><a·href="../../d0/d7c/a03318.html#af40a8c0bd6cf2bafaa4f0b1aad210eb9">BALL::UnaryPredicate::~UnaryPredicate</a></div><div·class="ttdeci">virtual·~UnaryPredicate()</div><div·class="ttdef"><b>Definition:</b>·<a·href="../../d3/dbe/a20359_source.html#l00033">CONCEPT/predicate.h:33</a></div></div>134 <div·class="ttc"·id="aa03318_html_af40a8c0bd6cf2bafaa4f0b1aad210eb9"><div·class="ttname"><a·href="../../d0/d7c/a03318.html#af40a8c0bd6cf2bafaa4f0b1aad210eb9">BALL::UnaryPredicate::~UnaryPredicate</a></div><div·class="ttdeci">virtual·~UnaryPredicate()</div><div·class="ttdef"><b>Definition:</b>·<a·href="../../d3/dbe/a20359_source.html#l00033">CONCEPT/predicate.h:33</a></div></div>
135 <div·class="ttc"·id="aa03322_html"><div·class="ttname"><a·href="../../da/d5b/a03322.html">BALL::BinaryPredicate</a></div><div·class="ttdef"><b>Definition:</b>·<a·href="../../d3/dbe/a20359_source.html#l00043">CONCEPT/predicate.h:45</a></div></div>135 <div·class="ttc"·id="aa03322_html"><div·class="ttname"><a·href="../../da/d5b/a03322.html">BALL::BinaryPredicate</a></div><div·class="ttdef"><b>Definition:</b>·<a·href="../../d3/dbe/a20359_source.html#l00043">CONCEPT/predicate.h:45</a></div></div>
136 <div·class="ttc"·id="aa03322_html_ae7cddec1ed6a8defa0baace852550ae8"><div·class="ttname"><a·href="../../da/d5b/a03322.html#ae7cddec1ed6a8defa0baace852550ae8">BALL::BinaryPredicate::~BinaryPredicate</a></div><div·class="ttdeci">virtual·~BinaryPredicate()</div><div·class="ttdef"><b>Definition:</b>·<a·href="../../d3/dbe/a20359_source.html#l00053">CONCEPT/predicate.h:53</a></div></div>136 <div·class="ttc"·id="aa03322_html_ae7cddec1ed6a8defa0baace852550ae8"><div·class="ttname"><a·href="../../da/d5b/a03322.html#ae7cddec1ed6a8defa0baace852550ae8">BALL::BinaryPredicate::~BinaryPredicate</a></div><div·class="ttdeci">virtual·~BinaryPredicate()</div><div·class="ttdef"><b>Definition:</b>·<a·href="../../d3/dbe/a20359_source.html#l00053">CONCEPT/predicate.h:53</a></div></div>
137 <div·class="ttc"·id="aa03322_html_afd61a21231e1700393f5fd93fa5207e9"><div·class="ttname"><a·href="../../da/d5b/a03322.html#afd61a21231e1700393f5fd93fa5207e9">BALL::BinaryPredicate::operator()</a></div><div·class="ttdeci">virtual·bool·operator()(const·T1·&amp;x,·const·T2·&amp;y)·const</div><div·class="ttdef"><b>Definition:</b>·<a·href="../../d3/dbe/a20359_source.html#l00064">CONCEPT/predicate.h:64</a></div></div>137 <div·class="ttc"·id="aa03322_html_afd61a21231e1700393f5fd93fa5207e9"><div·class="ttname"><a·href="../../da/d5b/a03322.html#afd61a21231e1700393f5fd93fa5207e9">BALL::BinaryPredicate::operator()</a></div><div·class="ttdeci">virtual·bool·operator()(const·T1·&amp;x,·const·T2·&amp;y)·const</div><div·class="ttdef"><b>Definition:</b>·<a·href="../../d3/dbe/a20359_source.html#l00064">CONCEPT/predicate.h:64</a></div></div>
138 <div·class="ttc"·id="aa20347_html"><div·class="ttname"><a·href="../../d2/d7e/a20347.html">global.h</a></div></div>138 <div·class="ttc"·id="aa20347_html"><div·class="ttname"><a·href="../../d2/d7e/a20347.html">global.h</a></div></div>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#friends">Friends</a>·&#124;70 <a·href="#friends">Friends</a>·&#124;
71 <a·href="../../d3/d9c/a06419.html">List·of·all·members</a>··</div>71 <a·href="../../d3/d9c/a06419.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Rescoring::RescoreQSARData·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Rescoring::RescoreQSARData·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d5e/a00275_source.html">BALL/SCORING/FUNCTIONS/rescoring.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d0a/a02015_source.html">BALL/SCORING/FUNCTIONS/rescoring.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Rescoring::RescoreQSARData:</div>77 Inheritance·diagram·for·BALL::Rescoring::RescoreQSARData:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d3/dc1/a06422.png"·usemap="#BALL::Rescoring::RescoreQSARData_map"·alt=""/>80 ··<img·src="../../d3/dc1/a06422.png"·usemap="#BALL::Rescoring::RescoreQSARData_map"·alt=""/>
81 ··<map·id="BALL::Rescoring::RescoreQSARData_map"·name="BALL::Rescoring::RescoreQSARData_map">81 ··<map·id="BALL::Rescoring::RescoreQSARData_map"·name="BALL::Rescoring::RescoreQSARData_map">
82 <area·href="../../d7/d6f/a05826.html"·alt="BALL::QSAR::QSARData"·shape="rect"·coords="0,0,220,24"/>82 <area·href="../../d7/d6f/a05826.html"·alt="BALL::QSAR::QSARData"·shape="rect"·coords="0,0,220,24"/>
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197 <tr·class="memitem:acbd936f45c71243a1cde5b488ebcaeb8·inherit·pro_attribs_a05826"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d6f/a05826.html#acbd936f45c71243a1cde5b488ebcaeb8">data_folder_</a></td></tr>197 <tr·class="memitem:acbd936f45c71243a1cde5b488ebcaeb8·inherit·pro_attribs_a05826"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d6f/a05826.html#acbd936f45c71243a1cde5b488ebcaeb8">data_folder_</a></td></tr>
198 <tr·class="separator:acbd936f45c71243a1cde5b488ebcaeb8·inherit·pro_attribs_a05826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>198 <tr·class="separator:acbd936f45c71243a1cde5b488ebcaeb8·inherit·pro_attribs_a05826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
199 <tr·class="memitem:a263f4f993ffae0ec0ee7dcb4915c05fa·inherit·pro_attribs_a05826"><td·class="memItemLeft"·align="right"·valign="top">std::map&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d6f/a05826.html#a263f4f993ffae0ec0ee7dcb4915c05fa">class_names_</a></td></tr>199 <tr·class="memitem:a263f4f993ffae0ec0ee7dcb4915c05fa·inherit·pro_attribs_a05826"><td·class="memItemLeft"·align="right"·valign="top">std::map&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d6f/a05826.html#a263f4f993ffae0ec0ee7dcb4915c05fa">class_names_</a></td></tr>
200 <tr·class="separator:a263f4f993ffae0ec0ee7dcb4915c05fa·inherit·pro_attribs_a05826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>200 <tr·class="separator:a263f4f993ffae0ec0ee7dcb4915c05fa·inherit·pro_attribs_a05826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
201 </table>201 </table>
202 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>202 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
203 <div·class="textblock">203 <div·class="textblock">
204 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d5e/a00275_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d3/d5e/a00275_source.html">rescoring.h</a>.</p>204 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d0a/a02015_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../de/d0a/a02015_source.html">rescoring.h</a>.</p>
205 </div><h2·class="groupheader">Friends·And·Related·Function·Documentation</h2>205 </div><h2·class="groupheader">Friends·And·Related·Function·Documentation</h2>
206 <a·id="a338b8f006d4c2ed937a5fd3deed19b56"·name="a338b8f006d4c2ed937a5fd3deed19b56"></a>206 <a·id="a338b8f006d4c2ed937a5fd3deed19b56"·name="a338b8f006d4c2ed937a5fd3deed19b56"></a>
207 <h2·class="memtitle"><span·class="permalink"><a·href="#a338b8f006d4c2ed937a5fd3deed19b56">&#9670;&nbsp;</a></span>Rescoring</h2>207 <h2·class="memtitle"><span·class="permalink"><a·href="#a338b8f006d4c2ed937a5fd3deed19b56">&#9670;&nbsp;</a></span>Rescoring</h2>
  
208 <div·class="memitem">208 <div·class="memitem">
209 <div·class="memproto">209 <div·class="memproto">
210 <table·class="mlabels">210 <table·class="mlabels">
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219 ··</td>219 ··</td>
220 ··<td·class="mlabels-right">220 ··<td·class="mlabels-right">
221 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>221 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
222 ··</tr>222 ··</tr>
223 </table>223 </table>
224 </div><div·class="memdoc">224 </div><div·class="memdoc">
  
225 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d5e/a00275_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../d3/d5e/a00275_source.html">rescoring.h</a>.</p>225 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d0a/a02015_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../de/d0a/a02015_source.html">rescoring.h</a>.</p>
  
226 </div>226 </div>
227 </div>227 </div>
228 <a·id="a65fa8154b172129bfbbe601fdf7a1f51"·name="a65fa8154b172129bfbbe601fdf7a1f51"></a>228 <a·id="a65fa8154b172129bfbbe601fdf7a1f51"·name="a65fa8154b172129bfbbe601fdf7a1f51"></a>
229 <h2·class="memtitle"><span·class="permalink"><a·href="#a65fa8154b172129bfbbe601fdf7a1f51">&#9670;&nbsp;</a></span>Rescoring3D</h2>229 <h2·class="memtitle"><span·class="permalink"><a·href="#a65fa8154b172129bfbbe601fdf7a1f51">&#9670;&nbsp;</a></span>Rescoring3D</h2>
  
230 <div·class="memitem">230 <div·class="memitem">
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243 ··</td>243 ··</td>
244 ··<td·class="mlabels-right">244 ··<td·class="mlabels-right">
245 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>245 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
246 ··</tr>246 ··</tr>
247 </table>247 </table>
248 </div><div·class="memdoc">248 </div><div·class="memdoc">
  
249 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d5e/a00275_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d3/d5e/a00275_source.html">rescoring.h</a>.</p>249 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d0a/a02015_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../de/d0a/a02015_source.html">rescoring.h</a>.</p>
  
250 </div>250 </div>
251 </div>251 </div>
252 </div><!--·contents·-->252 </div><!--·contents·-->
253 <!--·start·footer·part·-->253 <!--·start·footer·part·-->
254 <hr·class="footer"/><address·class="footer"><small>254 <hr·class="footer"/><address·class="footer"><small>
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133 <li><a·class="el"·href="../../d3/d3a/a08134.html">VanDerWaals·</a></li>133 <li><a·class="el"·href="../../d3/d3a/a08134.html">VanDerWaals·</a></li>
134 <li>...·</li>134 <li>...·</li>
135 </ul>135 </ul>
136 <p·>Every·model·is·implemeted·in·a·class·derived·from·ModelProcessor,·which·operates·on·Kernel·objects·(<a·class="el"·href="../../dd/d3c/a04466.html">Atoms·</a>,·<a·class="el"·href="../../df/dd2/a04486.html">Bonds·</a>,·...).·<br··/>136 <p·>Every·model·is·implemeted·in·a·class·derived·from·ModelProcessor,·which·operates·on·Kernel·objects·(<a·class="el"·href="../../dd/d3c/a04466.html">Atoms·</a>,·<a·class="el"·href="../../df/dd2/a04486.html">Bonds·</a>,·...).·<br··/>
137 </p>137 </p>
138 <p·>If·you·want·to·add·a·new·model,·you·have·to·do·four·things:</p><ul>138 <p·>If·you·want·to·add·a·new·model,·you·have·to·do·four·things:</p><ul>
139 <li>Create·a·new·derived·<a·class="el"·href="../../d0/dc2/a08070.html">ModelProcessor·</a>·class</li>139 <li>Create·a·new·derived·<a·class="el"·href="../../d0/dc2/a08070.html">ModelProcessor·</a>·class</li>
140 <li>Add·a·new·entry·in·the·enum·VIEW::ModelType·(see·<a·class="el"·href="../../d0/df7/a20389.html">VIEW/KERNEL/common.h</a>)</li>140 <li>Add·a·new·entry·in·the·enum·VIEW::ModelType·(see·<a·class="el"·href="../../de/d29/a20374.html">VIEW/KERNEL/common.h</a>)</li>
141 <li>Insert·the·name·for·the·new·model·in·getModelName()·(see·<a·class="el"·href="../../d0/df7/a20389.html">VIEW/KERNEL/common.h</a>)</li>141 <li>Insert·the·name·for·the·new·model·in·getModelName()·(see·<a·class="el"·href="../../de/d29/a20374.html">VIEW/KERNEL/common.h</a>)</li>
142 <li>Modify·BALL::VIEW::DisplayProperties::createRepresentation_()·<br··/>142 <li>Modify·BALL::VIEW::DisplayProperties::createRepresentation_()·<br··/>
143 ·In·general·<a·class="el"·href="../../d0/dc2/a08070.html">ModelProcessor</a>·'s·are·members·in·<a·class="el"·href="../../d6/de8/a07934.html">Representations·</a>.</li>143 ·In·general·<a·class="el"·href="../../d0/dc2/a08070.html">ModelProcessor</a>·'s·are·members·in·<a·class="el"·href="../../d6/de8/a07934.html">Representations·</a>.</li>
144 </ul>144 </ul>
145 <p·>The·new·model·will·be·automaticaly·added·to·the·<a·class="el"·href="../../da/dde/a07566.html">DisplayProperties·</a>·dialog.·<br··/>145 <p·>The·new·model·will·be·automaticaly·added·to·the·<a·class="el"·href="../../da/dde/a07566.html">DisplayProperties·</a>·dialog.·<br··/>
146 </p>146 </p>
147 <h2>Coloring·Methods</h2>147 <h2>Coloring·Methods</h2>
148 <p·>There·are·also·several·methods·to·colorize·the·molecular·models·and·every·method·is·implemented·in·a·class·derived·from·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor·</a>.·Every·instance·of·<a·class="el"·href="../../d6/de8/a07934.html">Representation·</a>·can·have·a·pointer·to·an·object·of·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor·</a>·,·which·it·calls·to·get·the·color·for·the·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObjects·</a>·.·</p>148 <p·>There·are·also·several·methods·to·colorize·the·molecular·models·and·every·method·is·implemented·in·a·class·derived·from·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor·</a>.·Every·instance·of·<a·class="el"·href="../../d6/de8/a07934.html">Representation·</a>·can·have·a·pointer·to·an·object·of·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor·</a>·,·which·it·calls·to·get·the·color·for·the·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObjects·</a>·.·</p>
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8 <title>BALL:·cubicSpline2D.h·File·Reference</title>8 <title>BALL:·smilesParser.h·File·Reference</title>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">cubicSpline2D.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">smilesParser.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;set&gt;</code><br·/> 
75 <code>#include·&lt;map&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d3/d19/a01847_source.html">BALL/MATHS/cubicSpline1D.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
78 </div>78 </div>
79 <p><a·href="../../d3/dce/a01859_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d3/dce/a01859_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">80 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>82 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d4c/a04794.html">BALL::CubicSpline2D</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d87/a07250.html">BALL::SmilesParser</a></td></tr>
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 85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d01/a07254.html">BALL::SmilesParser::SPBond</a></td></tr>
 86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d00/a07258.html">BALL::SmilesParser::SPAtom</a></td></tr>
 88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d0c/a07262.html">BALL::SmilesParser::State</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
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87 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary"> 
69 <a·href="#nested-classes">Classes</a>·&#124; 
70 <a·href="#namespaces">Namespaces</a>··</div> 
71 ··<div·class="headertitle"><div·class="title">hydrogenBondSlick.h·File·Reference</div></div>68 ··<div·class="headertitle"><div·class="title">common.h·File·Reference</div></div>
72 </div><!--header-->69 </div><!--header-->
73 <div·class="contents">70 <div·class="contents">
 71 <div·class="textblock"><code>#include·&lt;BALL/CONFIG/config.h&gt;</code><br·/>
 72 <code>#include·&lt;<a·class="el"·href="../../dc/d4d/a00620_source.html">BALL/COMMON/debug.h</a>&gt;</code><br·/>
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/dc8/a00242_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>73 <code>#include·&lt;<a·class="el"·href="../../dd/dc0/a00611_source.html">BALL/COMMON/create.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>74 <code>#include·&lt;<a·class="el"·href="../../d4/d14/a00608_source.html">BALL/COMMON/version.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d0/d1c/a00605_source.html">BALL/COMMON/macros.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../df/d6f/a00623_source.html">BALL/COMMON/logStream.h</a>&gt;</code><br·/>
77 </div>78 </div>
78 <p><a·href="../../d3/dd5/a00215_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d3/dd5/a00215_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls"> 
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
81 Classes</h2></td></tr> 
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dc8/a06290.html">BALL::HydrogenBondSlick</a></td></tr> 
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d96/a06294.html">BALL::HydrogenBondSlick::Option</a></td></tr> 
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d9a/a06298.html">BALL::HydrogenBondSlick::Default</a></td></tr> 
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
88 </table><table·class="memberdecls"> 
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
90 Namespaces</h2></td></tr> 
91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
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93 </table> 
94 </div><!--·contents·-->80 </div><!--·contents·-->
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97 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.483 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../de/d83/a06467.html">List·of·all·members</a>··</div>71 <a·href="../../de/d83/a06467.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ElectrostaticPotentialCalculator::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ElectrostaticPotentialCalculator::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/d6b/a01775_source.html">BALL/SOLVATION/electrostaticPotentialCalculator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d07/a01913_source.html">BALL/SOLVATION/electrostaticPotentialCalculator.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a7c7fd53aab33c95a18215d6c53987fd6"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd6/a06470.html#a7c7fd53aab33c95a18215d6c53987fd6">LOCALITY</a></td></tr>79 <tr·class="memitem:a7c7fd53aab33c95a18215d6c53987fd6"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd6/a06470.html#a7c7fd53aab33c95a18215d6c53987fd6">LOCALITY</a></td></tr>
80 <tr·class="separator:a7c7fd53aab33c95a18215d6c53987fd6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a7c7fd53aab33c95a18215d6c53987fd6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 </table>81 </table>
82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock"><p·>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../d7/dbb/a06466.html#ab8c7790a27e094e95bb665e34d32ef39">ElectrostaticPotentialCalculator::options</a>.·</p>83 <div·class="textblock"><p·>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../d7/dbb/a06466.html#ab8c7790a27e094e95bb665e34d32ef39">ElectrostaticPotentialCalculator::options</a>.·</p>
  
84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d6b/a01775_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d1/d6b/a01775_source.html">electrostaticPotentialCalculator.h</a>.</p>84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d07/a01913_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d4/d07/a01913_source.html">electrostaticPotentialCalculator.h</a>.</p>
85 </div><h2·class="groupheader">Member·Data·Documentation</h2>85 </div><h2·class="groupheader">Member·Data·Documentation</h2>
86 <a·id="a7c7fd53aab33c95a18215d6c53987fd6"·name="a7c7fd53aab33c95a18215d6c53987fd6"></a>86 <a·id="a7c7fd53aab33c95a18215d6c53987fd6"·name="a7c7fd53aab33c95a18215d6c53987fd6"></a>
87 <h2·class="memtitle"><span·class="permalink"><a·href="#a7c7fd53aab33c95a18215d6c53987fd6">&#9670;&nbsp;</a></span>LOCALITY</h2>87 <h2·class="memtitle"><span·class="permalink"><a·href="#a7c7fd53aab33c95a18215d6c53987fd6">&#9670;&nbsp;</a></span>LOCALITY</h2>
  
88 <div·class="memitem">88 <div·class="memitem">
89 <div·class="memproto">89 <div·class="memproto">
90 <table·class="mlabels">90 <table·class="mlabels">
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102 ··<td·class="mlabels-right">102 ··<td·class="mlabels-right">
103 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>103 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
104 ··</tr>104 ··</tr>
105 </table>105 </table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
107 <p·>The·method·to·use·for·the·calculation·of·the·electrostatic·potential.·</p>107 <p·>The·method·to·use·for·the·calculation·of·the·electrostatic·potential.·</p>
  
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d6b/a01775_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d1/d6b/a01775_source.html">electrostaticPotentialCalculator.h</a>.</p>108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d07/a01913_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d4/d07/a01913_source.html">electrostaticPotentialCalculator.h</a>.</p>
  
109 </div>109 </div>
110 </div>110 </div>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../d9/dbe/a06759.html">List·of·all·members</a>··</div>72 <a·href="../../d9/dbe/a06759.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::AdditionalBagProperties_·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::AdditionalBagProperties_·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d2a/a00632_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8e/a01694_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a63cc5077b4d834b3a3242295eba69514"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd7/a06762.html#a63cc5077b4d834b3a3242295eba69514">AdditionalBagProperties_</a>·()</td></tr>80 <tr·class="memitem:a63cc5077b4d834b3a3242295eba69514"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd7/a06762.html#a63cc5077b4d834b3a3242295eba69514">AdditionalBagProperties_</a>·()</td></tr>
81 <tr·class="separator:a63cc5077b4d834b3a3242295eba69514"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a63cc5077b4d834b3a3242295eba69514"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:a5780306caab672bad5e036f86b2719d7"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd7/a06762.html#a5780306caab672bad5e036f86b2719d7">AdditionalBagProperties_</a>·(<a·class="el"·href="../../d3/dd7/a06762.html">AdditionalBagProperties_</a>·const·&amp;copy)</td></tr>82 <tr·class="memitem:a5780306caab672bad5e036f86b2719d7"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd7/a06762.html#a5780306caab672bad5e036f86b2719d7">AdditionalBagProperties_</a>·(<a·class="el"·href="../../d3/dd7/a06762.html">AdditionalBagProperties_</a>·const·&amp;copy)</td></tr>
83 <tr·class="separator:a5780306caab672bad5e036f86b2719d7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:a5780306caab672bad5e036f86b2719d7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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93 <tr·class="separator:a3f544585ba7e6d5a2c322f0fa01b717c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:a3f544585ba7e6d5a2c322f0fa01b717c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 <tr·class="memitem:a816fb27cdf3a1984306903d5cdd5a923"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/df1/a06758.html">DPTable_</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd7/a06762.html#a816fb27cdf3a1984306903d5cdd5a923">table</a></td></tr>94 <tr·class="memitem:a816fb27cdf3a1984306903d5cdd5a923"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/df1/a06758.html">DPTable_</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd7/a06762.html#a816fb27cdf3a1984306903d5cdd5a923">table</a></td></tr>
95 <tr·class="separator:a816fb27cdf3a1984306903d5cdd5a923"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:a816fb27cdf3a1984306903d5cdd5a923"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table>96 </table>
97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
98 <div·class="textblock"><p·>Contains·informations·about·a·bag·which·are·computed·during·the·bond·assignment·algorithm.·Later,·this·informations·are·used·by·the·backtracking.·</p>98 <div·class="textblock"><p·>Contains·informations·about·a·bag·which·are·computed·during·the·bond·assignment·algorithm.·Later,·this·informations·are·used·by·the·backtracking.·</p>
  
99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00434">434</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00434">434</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
100 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>100 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
101 <a·id="a63cc5077b4d834b3a3242295eba69514"·name="a63cc5077b4d834b3a3242295eba69514"></a>101 <a·id="a63cc5077b4d834b3a3242295eba69514"·name="a63cc5077b4d834b3a3242295eba69514"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#a63cc5077b4d834b3a3242295eba69514">&#9670;&nbsp;</a></span>AdditionalBagProperties_()·<span·class="overload">[1/2]</span></h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#a63cc5077b4d834b3a3242295eba69514">&#9670;&nbsp;</a></span>AdditionalBagProperties_()·<span·class="overload">[1/2]</span></h2>
  
103 <div·class="memitem">103 <div·class="memitem">
104 <div·class="memproto">104 <div·class="memproto">
105 ······<table·class="memname">105 ······<table·class="memname">
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184 ········<tr>184 ········<tr>
185 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../d7/d46/a03430.html#ae274e94fd3c83c9c2736e080a41a6b3c">MolecularGraphTraits::EdgeType</a>&gt;·BALL::FPTBondOrderStrategy::AdditionalBagProperties_::bonds</td>185 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../d7/d46/a03430.html#ae274e94fd3c83c9c2736e080a41a6b3c">MolecularGraphTraits::EdgeType</a>&gt;·BALL::FPTBondOrderStrategy::AdditionalBagProperties_::bonds</td>
186 ········</tr>186 ········</tr>
187 ······</table>187 ······</table>
188 </div><div·class="memdoc">188 </div><div·class="memdoc">
189 <p·>bonds·in·this·bag·</p>189 <p·>bonds·in·this·bag·</p>
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00460">460</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00460">460</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
191 </div>191 </div>
192 </div>192 </div>
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194 <h2·class="memtitle"><span·class="permalink"><a·href="#a816fb27cdf3a1984306903d5cdd5a923">&#9670;&nbsp;</a></span>table</h2>194 <h2·class="memtitle"><span·class="permalink"><a·href="#a816fb27cdf3a1984306903d5cdd5a923">&#9670;&nbsp;</a></span>table</h2>
  
195 <div·class="memitem">195 <div·class="memitem">
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202 ··········<td·class="memname"><a·class="el"·href="../../dc/df1/a06758.html">DPTable_</a>*·BALL::FPTBondOrderStrategy::AdditionalBagProperties_::table</td>202 ··········<td·class="memname"><a·class="el"·href="../../dc/df1/a06758.html">DPTable_</a>*·BALL::FPTBondOrderStrategy::AdditionalBagProperties_::table</td>
203 ········</tr>203 ········</tr>
204 ······</table>204 ······</table>
205 </div><div·class="memdoc">205 </div><div·class="memdoc">
206 <p·>The·table·of·this·bag.·Is·computed·during·the·bond·assignment·</p>206 <p·>The·table·of·this·bag.·Is·computed·during·the·bond·assignment·</p>
  
207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00465">465</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00465">465</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
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72 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;72 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;
73 <a·href="../../d9/d1d/a07099.html">List·of·all·members</a>··</div>73 <a·href="../../d9/d1d/a07099.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::RMSDMinimizer·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../df/d0e/a02195.html">Mapping·of·molecular·structures</a></div></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::RMSDMinimizer·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../df/d0e/a02195.html">Mapping·of·molecular·structures</a></div></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d3/d95/a00779_source.html">BALL/STRUCTURE/RMSDMinimizer.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/STRUCTURE/RMSDMinimizer.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>80 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da2/a07106.html">IncompatibleCoordinateSets</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da2/a07106.html">IncompatibleCoordinateSets</a></td></tr>
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100 <tr·class="memitem:a33a0623563553fe4f4264f6d611df753"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd9/a07102.html#a33a0623563553fe4f4264f6d611df753">minimizeRMSD</a>·(<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;a,·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;b)</td></tr>100 <tr·class="memitem:a33a0623563553fe4f4264f6d611df753"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd9/a07102.html#a33a0623563553fe4f4264f6d611df753">minimizeRMSD</a>·(<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;a,·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;b)</td></tr>
101 <tr·class="separator:a33a0623563553fe4f4264f6d611df753"><td·class="memSeparator"·colspan="2">&#160;</td></tr>101 <tr·class="separator:a33a0623563553fe4f4264f6d611df753"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 </table>102 </table>
103 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>103 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
104 <div·class="textblock"><p·>RMSD·minimizer·class.·This·class·computes·the·optimal·transformation·mapping·one·set·of·three-dimensional·points·onto·another·set·of·points.·It·implements·the·algorithm·by·Coutsalis·et·al.·(J.·Comput.·Chem.,·25(15),·1849·(2004)),·which·computes·the·RMSD-optimal·transformation·by·solving·an·eigenvalue·problem.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>104 <div·class="textblock"><p·>RMSD·minimizer·class.·This·class·computes·the·optimal·transformation·mapping·one·set·of·three-dimensional·points·onto·another·set·of·points.·It·implements·the·algorithm·by·Coutsalis·et·al.·(J.·Comput.·Chem.,·25(15),·1849·(2004)),·which·computes·the·RMSD-optimal·transformation·by·solving·an·eigenvalue·problem.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d95/a00779_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d3/d95/a00779_source.html">RMSDMinimizer.h</a>.</p>105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">RMSDMinimizer.h</a>.</p>
106 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>106 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
107 <a·id="afb8d01d24b82c5f61f4b786f17e230ef"·name="afb8d01d24b82c5f61f4b786f17e230ef"></a>107 <a·id="afb8d01d24b82c5f61f4b786f17e230ef"·name="afb8d01d24b82c5f61f4b786f17e230ef"></a>
108 <h2·class="memtitle"><span·class="permalink"><a·href="#afb8d01d24b82c5f61f4b786f17e230ef">&#9670;&nbsp;</a></span>PointVector</h2>108 <h2·class="memtitle"><span·class="permalink"><a·href="#afb8d01d24b82c5f61f4b786f17e230ef">&#9670;&nbsp;</a></span>PointVector</h2>
  
109 <div·class="memitem">109 <div·class="memitem">
110 <div·class="memproto">110 <div·class="memproto">
111 ······<table·class="memname">111 ······<table·class="memname">
112 ········<tr>112 ········<tr>
113 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&gt;·<a·class="el"·href="../../d3/dd9/a07102.html#afb8d01d24b82c5f61f4b786f17e230ef">BALL::RMSDMinimizer::PointVector</a></td>113 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&gt;·<a·class="el"·href="../../d3/dd9/a07102.html#afb8d01d24b82c5f61f4b786f17e230ef">BALL::RMSDMinimizer::PointVector</a></td>
114 ········</tr>114 ········</tr>
115 ······</table>115 ······</table>
116 </div><div·class="memdoc">116 </div><div·class="memdoc">
  
117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d95/a00779_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d3/d95/a00779_source.html">RMSDMinimizer.h</a>.</p>117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">RMSDMinimizer.h</a>.</p>
  
118 </div>118 </div>
119 </div>119 </div>
120 <a·id="a16f5d9574b81df14213e4a262a675fc1"·name="a16f5d9574b81df14213e4a262a675fc1"></a>120 <a·id="a16f5d9574b81df14213e4a262a675fc1"·name="a16f5d9574b81df14213e4a262a675fc1"></a>
121 <h2·class="memtitle"><span·class="permalink"><a·href="#a16f5d9574b81df14213e4a262a675fc1">&#9670;&nbsp;</a></span>Result</h2>121 <h2·class="memtitle"><span·class="permalink"><a·href="#a16f5d9574b81df14213e4a262a675fc1">&#9670;&nbsp;</a></span>Result</h2>
  
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131 ··········<td·class="memname">typedef·std::pair&lt;<a·class="el"·href="../../df/de9/a02153.html#ga1e3aae59e2c9d5008df5b58ecd7bc99a">Matrix4x4</a>,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·<a·class="el"·href="../../d3/dd9/a07102.html#a16f5d9574b81df14213e4a262a675fc1">BALL::RMSDMinimizer::Result</a></td>131 ··········<td·class="memname">typedef·std::pair&lt;<a·class="el"·href="../../df/de9/a02153.html#ga1e3aae59e2c9d5008df5b58ecd7bc99a">Matrix4x4</a>,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·<a·class="el"·href="../../d3/dd9/a07102.html#a16f5d9574b81df14213e4a262a675fc1">BALL::RMSDMinimizer::Result</a></td>
132 ········</tr>132 ········</tr>
133 ······</table>133 ······</table>
134 </div><div·class="memdoc">134 </div><div·class="memdoc">
  
135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d95/a00779_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d3/d95/a00779_source.html">RMSDMinimizer.h</a>.</p>135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">RMSDMinimizer.h</a>.</p>
  
136 </div>136 </div>
137 </div>137 </div>
138 <h2·class="groupheader">Member·Function·Documentation</h2>138 <h2·class="groupheader">Member·Function·Documentation</h2>
139 <a·id="a209c81d1e2abd02db2f527bbc6c52b06"·name="a209c81d1e2abd02db2f527bbc6c52b06"></a>139 <a·id="a209c81d1e2abd02db2f527bbc6c52b06"·name="a209c81d1e2abd02db2f527bbc6c52b06"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a209c81d1e2abd02db2f527bbc6c52b06">&#9670;&nbsp;</a></span>computeTransformation()·<span·class="overload">[1/2]</span></h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a209c81d1e2abd02db2f527bbc6c52b06">&#9670;&nbsp;</a></span>computeTransformation()·<span·class="overload">[1/2]</span></h2>
  
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8 <title>BALL:·camera.h·File·Reference</title>8 <title>BALL:·modularWidgetPluginHandler.h·File·Reference</title>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_fdd4deb6e7660eceda5e61c32b248f16.html">PLUGIN</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">camera.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">modularWidgetPluginHandler.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d36/a00650_source.html">BALL/PLUGIN/pluginHandler.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d4/d29/a01817_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
77 </div>76 </div>
78 <p><a·href="../../d3/ddc/a01142_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d3/ddc/a01142_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">78 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>80 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d68/a08218.html">BALL::VIEW::Camera</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d40/a08146.html">BALL::VIEW::ModularWidgetPluginHandler</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
84 </table><table·class="memberdecls">83 </table><table·class="memberdecls">
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86 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>88 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d0/db9/a05591.html">List·of·all·members</a>··</div>70 <a·href="../../d0/db9/a05591.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::ALLModel·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::ALLModel·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d9/d95/a02075_source.html">BALL/QSAR/allModel.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d4/dd3/a00428_source.html">BALL/QSAR/allModel.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::QSAR::ALLModel:</div>76 Inheritance·diagram·for·BALL::QSAR::ALLModel:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d3/ddd/a05594.png"·usemap="#BALL::QSAR::ALLModel_map"·alt=""/>79 ··<img·src="../../d3/ddd/a05594.png"·usemap="#BALL::QSAR::ALLModel_map"·alt=""/>
80 ··<map·id="BALL::QSAR::ALLModel_map"·name="BALL::QSAR::ALLModel_map">80 ··<map·id="BALL::QSAR::ALLModel_map"·name="BALL::QSAR::ALLModel_map">
81 <area·href="../../d5/d95/a05786.html"·alt="BALL::QSAR::NonLinearModel"·shape="rect"·coords="0,112,188,136"/>81 <area·href="../../d5/d95/a05786.html"·alt="BALL::QSAR::NonLinearModel"·shape="rect"·coords="0,112,188,136"/>
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256 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>256 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
257 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>257 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>
258 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>258 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
259 </table>259 </table>
260 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>260 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
261 <div·class="textblock"><p·>class·for·automated·lazy·learning·(ALL-QSAR)·</p>261 <div·class="textblock"><p·>class·for·automated·lazy·learning·(ALL-QSAR)·</p>
  
262 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d95/a02075_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d9/d95/a02075_source.html">allModel.h</a>.</p>262 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd3/a00428_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d4/dd3/a00428_source.html">allModel.h</a>.</p>
263 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>263 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
264 <a·id="a4dae49a1dd69f6aa3752d91e0a4594ba"·name="a4dae49a1dd69f6aa3752d91e0a4594ba"></a>264 <a·id="a4dae49a1dd69f6aa3752d91e0a4594ba"·name="a4dae49a1dd69f6aa3752d91e0a4594ba"></a>
265 <h2·class="memtitle"><span·class="permalink"><a·href="#a4dae49a1dd69f6aa3752d91e0a4594ba">&#9670;&nbsp;</a></span>ALLModel()</h2>265 <h2·class="memtitle"><span·class="permalink"><a·href="#a4dae49a1dd69f6aa3752d91e0a4594ba">&#9670;&nbsp;</a></span>ALLModel()</h2>
  
266 <div·class="memitem">266 <div·class="memitem">
267 <div·class="memproto">267 <div·class="memproto">
268 ······<table·class="memname">268 ······<table·class="memname">
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730 ··</tr>730 ··</tr>
731 </table>731 </table>
732 </div><div·class="memdoc">732 </div><div·class="memdoc">
733 <p·>automated·lazy·learning·does·not·have·a·seperate·training·step·</p>733 <p·>automated·lazy·learning·does·not·have·a·seperate·training·step·</p>
  
734 <p>Implements·<a·class="el"·href="../../d9/dc9/a05774.html#ab6d19a548d68a44fcdc17021577d7212">BALL::QSAR::Model</a>.</p>734 <p>Implements·<a·class="el"·href="../../d9/dc9/a05774.html#ab6d19a548d68a44fcdc17021577d7212">BALL::QSAR::Model</a>.</p>
  
735 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d95/a02075_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d9/d95/a02075_source.html">allModel.h</a>.</p>735 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd3/a00428_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d4/dd3/a00428_source.html">allModel.h</a>.</p>
  
736 </div>736 </div>
737 </div>737 </div>
738 <h2·class="groupheader">Member·Data·Documentation</h2>738 <h2·class="groupheader">Member·Data·Documentation</h2>
739 <a·id="acc86594e6cc96cfae46e620f8e354cf8"·name="acc86594e6cc96cfae46e620f8e354cf8"></a>739 <a·id="acc86594e6cc96cfae46e620f8e354cf8"·name="acc86594e6cc96cfae46e620f8e354cf8"></a>
740 <h2·class="memtitle"><span·class="permalink"><a·href="#acc86594e6cc96cfae46e620f8e354cf8">&#9670;&nbsp;</a></span>kw_</h2>740 <h2·class="memtitle"><span·class="permalink"><a·href="#acc86594e6cc96cfae46e620f8e354cf8">&#9670;&nbsp;</a></span>kw_</h2>
  
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756 ··<td·class="mlabels-right">756 ··<td·class="mlabels-right">
757 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>757 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
758 ··</tr>758 ··</tr>
759 </table>759 </table>
760 </div><div·class="memdoc">760 </div><div·class="memdoc">
761 <p·>kernel·width·</p>761 <p·>kernel·width·</p>
  
762 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d95/a02075_source.html#l00079">79</a>·of·file·<a·class="el"·href="../../d9/d95/a02075_source.html">allModel.h</a>.</p>762 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd3/a00428_source.html#l00079">79</a>·of·file·<a·class="el"·href="../../d4/dd3/a00428_source.html">allModel.h</a>.</p>
  
763 </div>763 </div>
764 </div>764 </div>
765 <a·id="ac2257700017c5ce0b77e80e5dbe09e67"·name="ac2257700017c5ce0b77e80e5dbe09e67"></a>765 <a·id="ac2257700017c5ce0b77e80e5dbe09e67"·name="ac2257700017c5ce0b77e80e5dbe09e67"></a>
766 <h2·class="memtitle"><span·class="permalink"><a·href="#ac2257700017c5ce0b77e80e5dbe09e67">&#9670;&nbsp;</a></span>lambda_</h2>766 <h2·class="memtitle"><span·class="permalink"><a·href="#ac2257700017c5ce0b77e80e5dbe09e67">&#9670;&nbsp;</a></span>lambda_</h2>
  
767 <div·class="memitem">767 <div·class="memitem">
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780 ··</td>780 ··</td>
781 ··<td·class="mlabels-right">781 ··<td·class="mlabels-right">
782 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>782 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
783 ··</tr>783 ··</tr>
784 </table>784 </table>
785 </div><div·class="memdoc">785 </div><div·class="memdoc">
  
786 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d95/a02075_source.html#l00080">80</a>·of·file·<a·class="el"·href="../../d9/d95/a02075_source.html">allModel.h</a>.</p>786 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd3/a00428_source.html#l00080">80</a>·of·file·<a·class="el"·href="../../d4/dd3/a00428_source.html">allModel.h</a>.</p>
  
787 </div>787 </div>
788 </div>788 </div>
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790 <!--·start·footer·part·-->790 <!--·start·footer·part·-->
791 <hr·class="footer"/><address·class="footer"><small>791 <hr·class="footer"/><address·class="footer"><small>
792 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4792 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d0/df5/a05735.html">List·of·all·members</a>··</div>70 <a·href="../../d0/df5/a05735.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::KPCRModel·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::KPCRModel·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../df/d52/a02027_source.html">BALL/QSAR/kpcrModel.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../dc/d84/a00338_source.html">BALL/QSAR/kpcrModel.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::QSAR::KPCRModel:</div>76 Inheritance·diagram·for·BALL::QSAR::KPCRModel:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d3/de0/a05738.png"·usemap="#BALL::QSAR::KPCRModel_map"·alt=""/>79 ··<img·src="../../d3/de0/a05738.png"·usemap="#BALL::QSAR::KPCRModel_map"·alt=""/>
80 ··<map·id="BALL::QSAR::KPCRModel_map"·name="BALL::QSAR::KPCRModel_map">80 ··<map·id="BALL::QSAR::KPCRModel_map"·name="BALL::QSAR::KPCRModel_map">
81 <area·href="../../db/dd1/a05730.html"·alt="BALL::QSAR::KernelModel"·shape="rect"·coords="0,168,207,192"/>81 <area·href="../../db/dd1/a05730.html"·alt="BALL::QSAR::KernelModel"·shape="rect"·coords="0,168,207,192"/>
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287 <tr·class="separator:a3a3dcb1145a7c2b864d1dee12a0cd8b3·inherit·pro_attribs_a05746"><td·class="memSeparator"·colspan="2">&#160;</td></tr>287 <tr·class="separator:a3a3dcb1145a7c2b864d1dee12a0cd8b3·inherit·pro_attribs_a05746"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
288 <tr·class="memitem:affba7da7e8ca3ee211a86c4d08774796·inherit·pro_attribs_a05746"><td·class="memItemLeft"·align="right"·valign="top">Eigen::MatrixXd&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d16/a05746.html#affba7da7e8ca3ee211a86c4d08774796">weights_</a></td></tr>288 <tr·class="memitem:affba7da7e8ca3ee211a86c4d08774796·inherit·pro_attribs_a05746"><td·class="memItemLeft"·align="right"·valign="top">Eigen::MatrixXd&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d16/a05746.html#affba7da7e8ca3ee211a86c4d08774796">weights_</a></td></tr>
289 <tr·class="separator:affba7da7e8ca3ee211a86c4d08774796·inherit·pro_attribs_a05746"><td·class="memSeparator"·colspan="2">&#160;</td></tr>289 <tr·class="separator:affba7da7e8ca3ee211a86c4d08774796·inherit·pro_attribs_a05746"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
290 </table>290 </table>
291 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>291 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
292 <div·class="textblock"><p·>class·for·kernel·principal·component·regression·</p>292 <div·class="textblock"><p·>class·for·kernel·principal·component·regression·</p>
  
293 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d52/a02027_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../df/d52/a02027_source.html">kpcrModel.h</a>.</p>293 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d84/a00338_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../dc/d84/a00338_source.html">kpcrModel.h</a>.</p>
294 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>294 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
295 <a·id="a341dd206e9db246f46cef74bcefeb68f"·name="a341dd206e9db246f46cef74bcefeb68f"></a>295 <a·id="a341dd206e9db246f46cef74bcefeb68f"·name="a341dd206e9db246f46cef74bcefeb68f"></a>
296 <h2·class="memtitle"><span·class="permalink"><a·href="#a341dd206e9db246f46cef74bcefeb68f">&#9670;&nbsp;</a></span>KPCRModel()·<span·class="overload">[1/4]</span></h2>296 <h2·class="memtitle"><span·class="permalink"><a·href="#a341dd206e9db246f46cef74bcefeb68f">&#9670;&nbsp;</a></span>KPCRModel()·<span·class="overload">[1/4]</span></h2>
  
297 <div·class="memitem">297 <div·class="memitem">
298 <div·class="memproto">298 <div·class="memproto">
299 ······<table·class="memname">299 ······<table·class="memname">
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8 <title>BALL:·polarity.h·File·Reference</title>8 <title>BALL:·quaternion.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
 71 <a·href="#typedef-members">Typedefs</a>·&#124;
 72 <a·href="#func-members">Functions</a>··</div>
71 ··<div·class="headertitle"><div·class="title">polarity.h·File·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">quaternion.h·File·Reference</div></div>
72 </div><!--header-->74 </div><!--header-->
73 <div·class="contents">75 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/dc8/a00242_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>76 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d1/da8/a00230_source.html">BALL/SCORING/COMPONENTS/fresnoTypes.h</a>&gt;</code><br·/>78 <code>#include·&lt;Eigen/Geometry&gt;</code><br·/>
 79 <code>#include·&lt;iostream&gt;</code><br·/>
77 </div>80 </div>
78 <p><a·href="../../d3/de5/a00209_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../d3/de5/a00209_source.html">Go·to·the·source·code·of·this·file.</a></p>
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80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>84 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d9c/a06342.html">BALL::Polarity</a></td></tr>85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d0b/a04890.html">BALL::TQuaternion&lt;·T·&gt;</a></td></tr>
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85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
86 Namespaces</h2></td></tr>89 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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 93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
 94 Typedefs</h2></td></tr>
 95 <tr·class="memitem:adf956f63c74e2bb0a4786e2bae88d6a2"><td·class="memItemLeft"·align="right"·valign="top">typedef·TQuaternion&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#adf956f63c74e2bb0a4786e2bae88d6a2">BALL::Quaternion</a></td></tr>
 96 <tr·class="separator:adf956f63c74e2bb0a4786e2bae88d6a2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 </table><table·class="memberdecls">
 98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 99 Functions</h2></td></tr>
 100 <tr·class="memitem:a0ca47bf02b881f32a1cd4cdabc6a4d6d"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr>
 101 <tr·class="memitem:a0ca47bf02b881f32a1cd4cdabc6a4d6d"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a0ca47bf02b881f32a1cd4cdabc6a4d6d">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·TQuaternion&lt;·T·&gt;·&amp;q)</td></tr>
 102 <tr·class="separator:a0ca47bf02b881f32a1cd4cdabc6a4d6d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 103 <tr·class="memitem:a22b42c3a7e5fc6d847638f6c6e0231c3"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr>
 104 <tr·class="memitem:a22b42c3a7e5fc6d847638f6c6e0231c3"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a22b42c3a7e5fc6d847638f6c6e0231c3">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·TQuaternion&lt;·T·&gt;·&amp;q)</td></tr>
 105 <tr·class="separator:a22b42c3a7e5fc6d847638f6c6e0231c3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_b878c16349dc35cd6d238899ef64b59a.html">MDSIMULATION</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
65 </div>65 </div>
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71 ··<div·class="headertitle"><div·class="title">canonicalMD.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">GAMESSDatFile.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/da3/a00953_source.html">BALL/MOLMEC/MDSIMULATION/molecularDynamics.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
75 </div>76 </div>
76 <p><a·href="../../d3/de5/a00956_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d3/de5/a00956_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">78 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>80 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d85/a05138.html">BALL::CanonicalMD</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/df3/a03890.html">BALL::GAMESSDatFile</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6d/a05142.html">BALL::CanonicalMD::AuxFactors</a></td></tr>85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/ddf/a03898.html">BALL::GAMESSDatFile::State</a></td></tr>
83 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Helper·class·containing·auxiliary·factors.··<a·href="../../d5/d6d/a05142.html#details">More...</a><br·/></td></tr> 
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86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
87 Namespaces</h2></td></tr>89 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>
65 </div>65 </div>
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71 ··<div·class="headertitle"><div·class="title">bidirectionalIterator.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">empiricalHSShiftProcessor.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d71/a01664_source.html">BALL/CONCEPT/forwardIterator.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d52/a00221_source.html">BALL/MATHS/cubicSpline2D.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d2/dc8/a00242_source.html">BALL/MATHS/cubicSpline1D.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../dc/df9/a00554_source.html">BALL/KERNEL/expression.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;set&gt;</code><br·/>
 81 <code>#include·&lt;map&gt;</code><br·/>
75 </div>82 </div>
76 <p><a·href="../../d3/deb/a01619_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d3/deb/a01619_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">84 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>86 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d2f/a03222.html">BALL::ConstBidirectionalIterator&lt;·Container,·DataType,·Position,·Traits·&gt;</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d10/a05470.html">BALL::EmpiricalHSShiftProcessor</a></td></tr>
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72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
 75 <div·class="textblock"><code>#include·&lt;iostream&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d9d/a00464_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d3/db2/a00869_source.html">BALL/FORMAT/SDFile.h</a>&gt;</code><br·/>
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 80 <code>#include·&lt;<a·class="el"·href="../../d5/d54/a00938_source.html">BALL/FORMAT/MOLFile.h</a>&gt;</code><br·/>
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 82 <code>#include·&lt;list&gt;</code><br·/>
 83 <code>#include·&lt;set&gt;</code><br·/>
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 87 <code>#include·&lt;fstream&gt;</code><br·/>
 88 <code>#include·&lt;limits&gt;</code><br·/>
 89 <code>#include·&lt;<a·class="el"·href="../../d4/da8/a00437_source.html">BALL/QSAR/simpleDescriptors.h</a>&gt;</code><br·/>
 90 <code>#include·&lt;<a·class="el"·href="../../d8/d21/a00368_source.html">BALL/QSAR/connectivityDescriptors.h</a>&gt;</code><br·/>
 91 <code>#include·&lt;<a·class="el"·href="../../de/dd7/a00362_source.html">BALL/QSAR/partialChargeDescriptors.h</a>&gt;</code><br·/>
 92 <code>#include·&lt;<a·class="el"·href="../../db/ddc/a00353_source.html">BALL/QSAR/surfaceDescriptors.h</a>&gt;</code><br·/>
 93 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
 94 <code>#include·&lt;cstring&gt;</code><br·/>
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 96 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/>
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75 </div>98 </div>
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74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d94/a02033_source.html">BALL/QSAR/Model.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d3/d67/a01958_source.html">BALL/SCORING/COMMON/scoreGridSet.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../da/dbe/a02084_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d9/db6/a00146_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../de/d0a/a02015_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;set&gt;</code><br·/>77 <code>#include·&lt;set&gt;</code><br·/>
 78 <code>#include·&lt;map&gt;</code><br·/>
78 </div>79 </div>
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80 <table·class="memberdecls">81 <table·class="memberdecls">
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88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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72 ··<div·class="headertitle"><div·class="title">BALL::Substring::InvalidSubstring·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Substring::InvalidSubstring·Class·Reference</div></div>
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74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code></p>
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136 <div·class="textblock"><p·><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·thrown·if·an·invalid·substring·is·accessed.·This·exception·is·thrown·if·an·invalid·substring·is·to·be·used.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../de/da3/a03606.html#a2faa53e3eb3584be3cd3c7643a9a46f8">isValid</a>·</dd></dl>136 <div·class="textblock"><p·><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·thrown·if·an·invalid·substring·is·accessed.·This·exception·is·thrown·if·an·invalid·substring·is·to·be·used.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../de/da3/a03606.html#a2faa53e3eb3584be3cd3c7643a9a46f8">isValid</a>·</dd></dl>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d99/a01901_source.html#l01413">1413</a>·of·file·<a·class="el"·href="../../d5/d99/a01901_source.html">string.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d56/a00707_source.html#l01413">1413</a>·of·file·<a·class="el"·href="../../d1/d56/a00707_source.html">string.h</a>.</p>
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147 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>147 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
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232 </div>232 </div>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_bdf615705158bdb9ef48f1578bccfd92.html">PYTHON</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c153eaa5b1a7273a1076ed00b51614f.html">EXTENSIONS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">pyColorRGBAVector.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">lennardJones.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d21/a01484_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d9/db6/a00146_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>
76 <code>#include·&lt;vector&gt;</code><br·/> 
77 </div>76 </div>
78 <p><a·href="../../d3/df8/a00155_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d3/df8/a00155_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">78 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>80 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d7e/a05558.html">BALL::PyColorRGBAVector</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d73/a05382.html">BALL::LennardJones</a></td></tr>
 82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d12/a05386.html">BALL::LennardJones::Values</a></td></tr>
 84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/df3/a05390.html">BALL::LennardJones::Data</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
84 </table><table·class="memberdecls">87 </table><table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
86 Namespaces</h2></td></tr>89 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d1/d42/a03419.html">List·of·all·members</a>··</div>71 <a·href="../../d1/d42/a03419.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::GRAPH::IllegalStateException·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::GRAPH::IllegalStateException·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d07/a01913_source.html">BALL/DATATYPE/GRAPH/graphAlgorithms.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../df/d3b/a00728_source.html">BALL/DATATYPE/GRAPH/graphAlgorithms.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::GRAPH::IllegalStateException:</div>77 Inheritance·diagram·for·BALL::GRAPH::IllegalStateException:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d3/dff/a03422.png"·usemap="#BALL::GRAPH::IllegalStateException_map"·alt=""/>80 ··<img·src="../../d3/dff/a03422.png"·usemap="#BALL::GRAPH::IllegalStateException_map"·alt=""/>
81 ··<map·id="BALL::GRAPH::IllegalStateException_map"·name="BALL::GRAPH::IllegalStateException_map">81 ··<map·id="BALL::GRAPH::IllegalStateException_map"·name="BALL::GRAPH::IllegalStateException_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,214,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,214,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>is·thrown·if·a·operation·is·called·while·an·object·is·not·in·the·right·state·to·handle·it.·For·example,·if·you·have·to·set·some·options·or·call·some·other·methods·before·calling·the·operation.·</p>136 <div·class="textblock"><p·>is·thrown·if·a·operation·is·called·while·an·object·is·not·in·the·right·state·to·handle·it.·For·example,·if·you·have·to·set·some·options·or·call·some·other·methods·before·calling·the·operation.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d07/a01913_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d4/d07/a01913_source.html">graphAlgorithms.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="a6aadc2189de3537f186f351bddcd5916"·name="a6aadc2189de3537f186f351bddcd5916"></a>139 <a·id="a6aadc2189de3537f186f351bddcd5916"·name="a6aadc2189de3537f186f351bddcd5916"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a6aadc2189de3537f186f351bddcd5916">&#9670;&nbsp;</a></span>IllegalStateException()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a6aadc2189de3537f186f351bddcd5916">&#9670;&nbsp;</a></span>IllegalStateException()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
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143 ······<table·class="memname">143 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d3/d39/a05707.html">List·of·all·members</a>··</div>71 <a·href="../../d3/d39/a05707.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::FeatureSelectionParameterError·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::FeatureSelectionParameterError·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/d51/a20335_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::QSAR::Exception::FeatureSelectionParameterError:</div>77 Inheritance·diagram·for·BALL::QSAR::Exception::FeatureSelectionParameterError:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d4/d00/a05710.png"·usemap="#BALL::QSAR::Exception::FeatureSelectionParameterError_map"·alt=""/>80 ··<img·src="../../d4/d00/a05710.png"·usemap="#BALL::QSAR::Exception::FeatureSelectionParameterError_map"·alt=""/>
81 ··<map·id="BALL::QSAR::Exception::FeatureSelectionParameterError_map"·name="BALL::QSAR::Exception::FeatureSelectionParameterError_map">81 ··<map·id="BALL::QSAR::Exception::FeatureSelectionParameterError_map"·name="BALL::QSAR::Exception::FeatureSelectionParameterError_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,335,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,335,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>exception·for·specification·of·an·invalid·parameters·for·feature·selection·</p>136 <div·class="textblock"><p·>exception·for·specification·of·an·invalid·parameters·for·feature·selection·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d51/a20335_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../db/d51/a20335_source.html">QSAR/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="a6e62351c95c0369a179da7992ce1a21b"·name="a6e62351c95c0369a179da7992ce1a21b"></a>139 <a·id="a6e62351c95c0369a179da7992ce1a21b"·name="a6e62351c95c0369a179da7992ce1a21b"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e62351c95c0369a179da7992ce1a21b">&#9670;&nbsp;</a></span>FeatureSelectionParameterError()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e62351c95c0369a179da7992ce1a21b">&#9670;&nbsp;</a></span>FeatureSelectionParameterError()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
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143 ······<table·class="memname">143 ······<table·class="memname">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../da/d90/a04063.html">List·of·all·members</a>··</div>72 <a·href="../../da/d90/a04063.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::NMRStarFile::MolecularSystem::ChemicalUnit·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::NMRStarFile::MolecularSystem::ChemicalUnit·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d1/d44/a00098_source.html">BALL/FORMAT/NMRStarFile.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../db/d40/a00959_source.html">BALL/FORMAT/NMRStarFile.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:ac42e23fc31c8f49451e3b34dc5527e83"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d02/a04066.html#ac42e23fc31c8f49451e3b34dc5527e83">ChemicalUnit</a>·()</td></tr>80 <tr·class="memitem:ac42e23fc31c8f49451e3b34dc5527e83"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d02/a04066.html#ac42e23fc31c8f49451e3b34dc5527e83">ChemicalUnit</a>·()</td></tr>
81 <tr·class="separator:ac42e23fc31c8f49451e3b34dc5527e83"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:ac42e23fc31c8f49451e3b34dc5527e83"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:a4d3a827614b3b3a90659d1a008735f28"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d02/a04066.html#a4d3a827614b3b3a90659d1a008735f28">operator&gt;&gt;</a>·(std::ostream·&amp;s)</td></tr>82 <tr·class="memitem:a4d3a827614b3b3a90659d1a008735f28"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d02/a04066.html#a4d3a827614b3b3a90659d1a008735f28">operator&gt;&gt;</a>·(std::ostream·&amp;s)</td></tr>
83 <tr·class="separator:a4d3a827614b3b3a90659d1a008735f28"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:a4d3a827614b3b3a90659d1a008735f28"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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94 <tr·class="memitem:a29e9a06aec1fb8e912539c89aa64b398"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/daf/a04050.html">MonomericPolymer</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d02/a04066.html#a29e9a06aec1fb8e912539c89aa64b398">monomeric_polymer</a></td></tr>94 <tr·class="memitem:a29e9a06aec1fb8e912539c89aa64b398"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/daf/a04050.html">MonomericPolymer</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d02/a04066.html#a29e9a06aec1fb8e912539c89aa64b398">monomeric_polymer</a></td></tr>
95 <tr·class="separator:a29e9a06aec1fb8e912539c89aa64b398"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:a29e9a06aec1fb8e912539c89aa64b398"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 <tr·class="memitem:a3c767eb8d91536ba2f3acc3847403d74"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d9/d2c/a04042.html">NMRAtomDataSet</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d02/a04066.html#a3c767eb8d91536ba2f3acc3847403d74">shifts</a></td></tr>96 <tr·class="memitem:a3c767eb8d91536ba2f3acc3847403d74"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d9/d2c/a04042.html">NMRAtomDataSet</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d02/a04066.html#a3c767eb8d91536ba2f3acc3847403d74">shifts</a></td></tr>
97 <tr·class="separator:a3c767eb8d91536ba2f3acc3847403d74"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:a3c767eb8d91536ba2f3acc3847403d74"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>98 </table>
99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
100 <div·class="textblock">100 <div·class="textblock">
101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00382">382</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">NMRStarFile.h</a>.</p>101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d40/a00959_source.html#l00382">382</a>·of·file·<a·class="el"·href="../../db/d40/a00959_source.html">NMRStarFile.h</a>.</p>
102 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>102 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
103 <a·id="ac42e23fc31c8f49451e3b34dc5527e83"·name="ac42e23fc31c8f49451e3b34dc5527e83"></a>103 <a·id="ac42e23fc31c8f49451e3b34dc5527e83"·name="ac42e23fc31c8f49451e3b34dc5527e83"></a>
104 <h2·class="memtitle"><span·class="permalink"><a·href="#ac42e23fc31c8f49451e3b34dc5527e83">&#9670;&nbsp;</a></span>ChemicalUnit()</h2>104 <h2·class="memtitle"><span·class="permalink"><a·href="#ac42e23fc31c8f49451e3b34dc5527e83">&#9670;&nbsp;</a></span>ChemicalUnit()</h2>
  
105 <div·class="memitem">105 <div·class="memitem">
106 <div·class="memproto">106 <div·class="memproto">
107 ······<table·class="memname">107 ······<table·class="memname">
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162 ······<table·class="memname">162 ······<table·class="memname">
163 ········<tr>163 ········<tr>
164 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::NMRStarFile::MolecularSystem::ChemicalUnit::component_name</td>164 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::NMRStarFile::MolecularSystem::ChemicalUnit::component_name</td>
165 ········</tr>165 ········</tr>
166 ······</table>166 ······</table>
167 </div><div·class="memdoc">167 </div><div·class="memdoc">
  
168 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00389">389</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">NMRStarFile.h</a>.</p>168 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d40/a00959_source.html#l00389">389</a>·of·file·<a·class="el"·href="../../db/d40/a00959_source.html">NMRStarFile.h</a>.</p>
  
169 </div>169 </div>
170 </div>170 </div>
171 <a·id="a905e24674fe793800568434db3b62766"·name="a905e24674fe793800568434db3b62766"></a>171 <a·id="a905e24674fe793800568434db3b62766"·name="a905e24674fe793800568434db3b62766"></a>
172 <h2·class="memtitle"><span·class="permalink"><a·href="#a905e24674fe793800568434db3b62766">&#9670;&nbsp;</a></span>label</h2>172 <h2·class="memtitle"><span·class="permalink"><a·href="#a905e24674fe793800568434db3b62766">&#9670;&nbsp;</a></span>label</h2>
  
173 <div·class="memitem">173 <div·class="memitem">
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179 ········<tr>179 ········<tr>
180 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::NMRStarFile::MolecularSystem::ChemicalUnit::label</td>180 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::NMRStarFile::MolecularSystem::ChemicalUnit::label</td>
181 ········</tr>181 ········</tr>
182 ······</table>182 ······</table>
183 </div><div·class="memdoc">183 </div><div·class="memdoc">
  
184 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00390">390</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">NMRStarFile.h</a>.</p>184 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d40/a00959_source.html#l00390">390</a>·of·file·<a·class="el"·href="../../db/d40/a00959_source.html">NMRStarFile.h</a>.</p>
  
185 </div>185 </div>
186 </div>186 </div>
187 <a·id="a29e9a06aec1fb8e912539c89aa64b398"·name="a29e9a06aec1fb8e912539c89aa64b398"></a>187 <a·id="a29e9a06aec1fb8e912539c89aa64b398"·name="a29e9a06aec1fb8e912539c89aa64b398"></a>
188 <h2·class="memtitle"><span·class="permalink"><a·href="#a29e9a06aec1fb8e912539c89aa64b398">&#9670;&nbsp;</a></span>monomeric_polymer</h2>188 <h2·class="memtitle"><span·class="permalink"><a·href="#a29e9a06aec1fb8e912539c89aa64b398">&#9670;&nbsp;</a></span>monomeric_polymer</h2>
  
189 <div·class="memitem">189 <div·class="memitem">
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195 ········<tr>195 ········<tr>
196 ··········<td·class="memname"><a·class="el"·href="../../dd/daf/a04050.html">MonomericPolymer</a>*·BALL::NMRStarFile::MolecularSystem::ChemicalUnit::monomeric_polymer</td>196 ··········<td·class="memname"><a·class="el"·href="../../dd/daf/a04050.html">MonomericPolymer</a>*·BALL::NMRStarFile::MolecularSystem::ChemicalUnit::monomeric_polymer</td>
197 ········</tr>197 ········</tr>
198 ······</table>198 ······</table>
199 </div><div·class="memdoc">199 </div><div·class="memdoc">
  
200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00391">391</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">NMRStarFile.h</a>.</p>200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d40/a00959_source.html#l00391">391</a>·of·file·<a·class="el"·href="../../db/d40/a00959_source.html">NMRStarFile.h</a>.</p>
  
201 </div>201 </div>
202 </div>202 </div>
203 <a·id="a3c767eb8d91536ba2f3acc3847403d74"·name="a3c767eb8d91536ba2f3acc3847403d74"></a>203 <a·id="a3c767eb8d91536ba2f3acc3847403d74"·name="a3c767eb8d91536ba2f3acc3847403d74"></a>
204 <h2·class="memtitle"><span·class="permalink"><a·href="#a3c767eb8d91536ba2f3acc3847403d74">&#9670;&nbsp;</a></span>shifts</h2>204 <h2·class="memtitle"><span·class="permalink"><a·href="#a3c767eb8d91536ba2f3acc3847403d74">&#9670;&nbsp;</a></span>shifts</h2>
  
205 <div·class="memitem">205 <div·class="memitem">
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210 ······<table·class="memname">210 ······<table·class="memname">
211 ········<tr>211 ········<tr>
212 ··········<td·class="memname"><a·class="el"·href="../../d9/d2c/a04042.html">NMRAtomDataSet</a>*·BALL::NMRStarFile::MolecularSystem::ChemicalUnit::shifts</td>212 ··········<td·class="memname"><a·class="el"·href="../../d9/d2c/a04042.html">NMRAtomDataSet</a>*·BALL::NMRStarFile::MolecularSystem::ChemicalUnit::shifts</td>
213 ········</tr>213 ········</tr>
214 ······</table>214 ······</table>
215 </div><div·class="memdoc">215 </div><div·class="memdoc">
  
216 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00392">392</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">NMRStarFile.h</a>.</p>216 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d40/a00959_source.html#l00392">392</a>·of·file·<a·class="el"·href="../../db/d40/a00959_source.html">NMRStarFile.h</a>.</p>
  
217 </div>217 </div>
218 </div>218 </div>
219 </div><!--·contents·-->219 </div><!--·contents·-->
220 <!--·start·footer·part·-->220 <!--·start·footer·part·-->
221 <hr·class="footer"/><address·class="footer"><small>221 <hr·class="footer"/><address·class="footer"><small>
222 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4222 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d2/def/a08159.html">List·of·all·members</a>··</div>70 <a·href="../../d2/def/a08159.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Disc·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Disc·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d9/d8b/a01469_source.html">BALL/VIEW/PRIMITIVES/disc.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../df/d68/a01385_source.html">BALL/VIEW/PRIMITIVES/disc.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::Disc:</div>76 Inheritance·diagram·for·BALL::VIEW::Disc:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d4/d0a/a08162.png"·usemap="#BALL::VIEW::Disc_map"·alt=""/>79 ··<img·src="../../d4/d0a/a08162.png"·usemap="#BALL::VIEW::Disc_map"·alt=""/>
80 ··<map·id="BALL::VIEW::Disc_map"·name="BALL::VIEW::Disc_map">80 ··<map·id="BALL::VIEW::Disc_map"·name="BALL::VIEW::Disc_map">
81 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>81 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>
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194 <tr·class="memitem:abd28c3bc21f25a9a15732ae561e1c9bb·inherit·pro_attribs_a04786"><td·class="memItemLeft"·align="right"·valign="top">T&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dec/a04786.html#abd28c3bc21f25a9a15732ae561e1c9bb">radius</a></td></tr>194 <tr·class="memitem:abd28c3bc21f25a9a15732ae561e1c9bb·inherit·pro_attribs_a04786"><td·class="memItemLeft"·align="right"·valign="top">T&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dec/a04786.html#abd28c3bc21f25a9a15732ae561e1c9bb">radius</a></td></tr>
195 <tr·class="separator:abd28c3bc21f25a9a15732ae561e1c9bb·inherit·pro_attribs_a04786"><td·class="memSeparator"·colspan="2">&#160;</td></tr>195 <tr·class="separator:abd28c3bc21f25a9a15732ae561e1c9bb·inherit·pro_attribs_a04786"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
196 </table>196 </table>
197 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>197 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
198 <div·class="textblock"><p·><a·class="el"·href="../../d4/d0a/a08162.html">Disc</a>·class.·<br··/>198 <div·class="textblock"><p·><a·class="el"·href="../../d4/d0a/a08162.html">Disc</a>·class.·<br··/>
199 ·An·instance·of·<a·class="el"·href="../../d4/d0a/a08162.html">Disc</a>·represents·an·instance·of·the·geometric·representation·"Disc".·The·class·<a·class="el"·href="../../d4/d0a/a08162.html">Disc</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·Disc3.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>199 ·An·instance·of·<a·class="el"·href="../../d4/d0a/a08162.html">Disc</a>·represents·an·instance·of·the·geometric·representation·"Disc".·The·class·<a·class="el"·href="../../d4/d0a/a08162.html">Disc</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·Disc3.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d8b/a01469_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d9/d8b/a01469_source.html">disc.h</a>.</p>200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d68/a01385_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../df/d68/a01385_source.html">disc.h</a>.</p>
201 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>201 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
202 <a·id="a2ca379163f816ff68cadf4d78e32406e"·name="a2ca379163f816ff68cadf4d78e32406e"></a>202 <a·id="a2ca379163f816ff68cadf4d78e32406e"·name="a2ca379163f816ff68cadf4d78e32406e"></a>
203 <h2·class="memtitle"><span·class="permalink"><a·href="#a2ca379163f816ff68cadf4d78e32406e">&#9670;&nbsp;</a></span>Disc()·<span·class="overload">[1/3]</span></h2>203 <h2·class="memtitle"><span·class="permalink"><a·href="#a2ca379163f816ff68cadf4d78e32406e">&#9670;&nbsp;</a></span>Disc()·<span·class="overload">[1/3]</span></h2>
  
204 <div·class="memitem">204 <div·class="memitem">
205 <div·class="memproto">205 <div·class="memproto">
206 ······<table·class="memname">206 ······<table·class="memname">
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380 ··</td>380 ··</td>
381 ··<td·class="mlabels-right">381 ··<td·class="mlabels-right">
382 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>382 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
383 ··</tr>383 ··</tr>
384 </table>384 </table>
385 </div><div·class="memdoc">385 </div><div·class="memdoc">
  
386 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d8b/a01469_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../d9/d8b/a01469_source.html">disc.h</a>.</p>386 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d68/a01385_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../df/d68/a01385_source.html">disc.h</a>.</p>
  
387 </div>387 </div>
388 </div>388 </div>
389 <a·id="a49e7aec968f52711e583131136e804c9"·name="a49e7aec968f52711e583131136e804c9"></a>389 <a·id="a49e7aec968f52711e583131136e804c9"·name="a49e7aec968f52711e583131136e804c9"></a>
390 <h2·class="memtitle"><span·class="permalink"><a·href="#a49e7aec968f52711e583131136e804c9">&#9670;&nbsp;</a></span>getVertices()</h2>390 <h2·class="memtitle"><span·class="permalink"><a·href="#a49e7aec968f52711e583131136e804c9">&#9670;&nbsp;</a></span>getVertices()</h2>
  
391 <div·class="memitem">391 <div·class="memitem">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li>··</ul>
65 </div>65 </div>
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71 ··<div·class="headertitle"><div·class="title">SESEdge.h·File·Reference</div></div>68 ··<div·class="headertitle"><div·class="title">datatype.h·File·Reference</div></div>
72 </div><!--header-->69 </div><!--header-->
73 <div·class="contents">70 <div·class="contents">
 71 <div·class="textblock"><code>#include·&lt;BALL/DATATYPE/binarySearchTree.h&gt;</code><br·/>
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/STRUCTURE/graphEdge.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../dd/dd8/a00719_source.html">BALL/STRUCTURE/RSEdge.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../da/d8b/a01871_source.html">BALL/MATHS/circle3.h</a>&gt;</code><br·/>72 <code>#include·&lt;<a·class="el"·href="../../d4/deb/a00710_source.html">BALL/DATATYPE/bitVector.h</a>&gt;</code><br·/>
 73 <code>#include·&lt;<a·class="el"·href="../../de/d98/a20341_source.html">BALL/DATATYPE/forEach.h</a>&gt;</code><br·/>
 74 <code>#include·&lt;<a·class="el"·href="../../df/d9e/a00686_source.html">BALL/DATATYPE/hashGrid.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../dc/de4/a00677_source.html">BALL/DATATYPE/list.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../d6/dc0/a00734_source.html">BALL/DATATYPE/quadruple.h</a>&gt;</code><br·/>
 81 <code>#include·&lt;BALL/DATATYPE/redBlackTree.h&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../df/dbb/a00698_source.html">BALL/DATATYPE/regularExpression.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;BALL/DATATYPE/splayTree.h&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d1/d04/a00713_source.html">BALL/DATATYPE/stringHashSet.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;BALL/DATATYPE/stringMap.h&gt;</code><br·/>
77 </div>88 </div>
78 <p><a·href="../../d4/d10/a00635_source.html">Go·to·the·source·code·of·this·file.</a></p>89 <p><a·href="../../d4/d10/a00635_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls"> 
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
81 Classes</h2></td></tr> 
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc8/a07162.html">BALL::SESEdge</a></td></tr> 
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84 </table><table·class="memberdecls"> 
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
86 Namespaces</h2></td></tr> 
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91 Functions</h2></td></tr> 
92 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr> 
93 <tr·class="memitem:ga8f202ecda2f6d1e7781028b2e68bd724"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga8f202ecda2f6d1e7781028b2e68bd724">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·SESEdge·&amp;sesedge)</td></tr> 
94 <tr·class="separator:ga8f202ecda2f6d1e7781028b2e68bd724"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 </table> 
96 </div><!--·contents·-->90 </div><!--·contents·-->
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
65 </div>65 </div>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">expressionTree.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">regressionValidation.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d80/a00371_source.html">BALL/KERNEL/expressionPredicate.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d59/a20371_source.html">BALL/QSAR/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d3/def/a00446_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d9/d4a/a00479_source.html">BALL/QSAR/validation.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;iterator&gt;</code><br·/>
75 </div>78 </div>
76 <p><a·href="../../d4/d13/a00377_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d4/d13/a00377_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">80 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>82 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d1c/a04522.html">BALL::ExpressionTree</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d70/a05842.html">BALL::QSAR::RegressionValidation</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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84 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
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87 </table>92 </table>
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63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_318e4e36585355a52a6b5535463b9898.html">COMMON</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
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71 ··<div·class="headertitle"><div·class="title">ringAnalyser.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">version.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;BALL/CONFIG/config.h&gt;</code><br·/>
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../d7/d00/a00401_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../db/d95/a01637_source.html">BALL/CONCEPT/property.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
78 <code>#include·&lt;vector&gt;</code><br·/> 
79 <code>#include·&lt;set&gt;</code><br·/> 
80 <code>#include·&lt;deque&gt;</code><br·/> 
81 </div>77 </div>
82 <p><a·href="../../d4/d14/a00608_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d4/d14/a00608_source.html">Go·to·the·source·code·of·this·file.</a></p>
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85 Classes</h2></td></tr>81 Classes</h2></td></tr>
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d2f/a07094.html">BALL::RingAnalyser</a></td></tr> 
87 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Methods·for·the·analysis·of·the·structure·of·ringsystems.··<a·href="../../d5/d2f/a07094.html#details">More...</a><br·/></td></tr> 
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d4a/a07098.html">BALL::RingAnalyser::Ring</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d9b/a03202.html">BALL::VersionInfo</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">84 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
93 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
75 <a·href="../../dc/d7b/a07499.html">List·of·all·members</a>··</div>75 <a·href="../../dc/d7b/a07499.html">List·of·all·members</a>··</div>
76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::VectorGridController·Class·Reference</div></div>76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::VectorGridController·Class·Reference</div></div>
77 </div><!--header-->77 </div><!--header-->
78 <div·class="contents">78 <div·class="contents">
  
79 <p><code>#include·&lt;<a·class="el"·href="../../dc/d47/a01487_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code></p>79 <p><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code></p>
80 <div·class="dynheader">80 <div·class="dynheader">
81 Inheritance·diagram·for·BALL::VIEW::VectorGridController:</div>81 Inheritance·diagram·for·BALL::VIEW::VectorGridController:</div>
82 <div·class="dyncontent">82 <div·class="dyncontent">
83 ·<div·class="center">83 ·<div·class="center">
84 ··<img·src="../../d4/d15/a07502.png"·usemap="#BALL::VIEW::VectorGridController_map"·alt=""/>84 ··<img·src="../../d4/d15/a07502.png"·usemap="#BALL::VIEW::VectorGridController_map"·alt=""/>
85 ··<map·id="BALL::VIEW::VectorGridController_map"·name="BALL::VIEW::VectorGridController_map">85 ··<map·id="BALL::VIEW::VectorGridController_map"·name="BALL::VIEW::VectorGridController_map">
86 <area·href="../../de/dbd/a07482.html"·alt="BALL::VIEW::DatasetController"·shape="rect"·coords="107,56,311,80"/>86 <area·href="../../de/dbd/a07482.html"·alt="BALL::VIEW::DatasetController"·shape="rect"·coords="107,56,311,80"/>
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249 <tr·class="separator:a46b0de6e9bcfec3956c84916735c3bf8·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>249 <tr·class="separator:a46b0de6e9bcfec3956c84916735c3bf8·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
250 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>250 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>
251 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>251 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
252 </table>252 </table>
253 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>253 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
254 <div·class="textblock"><p·>Controller·class·for·VectorGrid·</p>254 <div·class="textblock"><p·>Controller·class·for·VectorGrid·</p>
  
255 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d47/a01487_source.html#l00257">257</a>·of·file·<a·class="el"·href="../../dc/d47/a01487_source.html">standardDatasets.h</a>.</p>255 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00257">257</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
256 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>256 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
257 <a·id="a91f6626484cd0691185e0a1ed2f005a3"·name="a91f6626484cd0691185e0a1ed2f005a3"></a>257 <a·id="a91f6626484cd0691185e0a1ed2f005a3"·name="a91f6626484cd0691185e0a1ed2f005a3"></a>
258 <h2·class="memtitle"><span·class="permalink"><a·href="#a91f6626484cd0691185e0a1ed2f005a3">&#9670;&nbsp;</a></span>VectorGridController()·<span·class="overload">[1/2]</span></h2>258 <h2·class="memtitle"><span·class="permalink"><a·href="#a91f6626484cd0691185e0a1ed2f005a3">&#9670;&nbsp;</a></span>VectorGridController()·<span·class="overload">[1/2]</span></h2>
  
259 <div·class="memitem">259 <div·class="memitem">
260 <div·class="memproto">260 <div·class="memproto">
261 ······<table·class="memname">261 ······<table·class="memname">
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544 ··</td>544 ··</td>
545 ··<td·class="mlabels-right">545 ··<td·class="mlabels-right">
546 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>546 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
547 ··</tr>547 ··</tr>
548 </table>548 </table>
549 </div><div·class="memdoc">549 </div><div·class="memdoc">
  
550 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d47/a01487_source.html#l00301">301</a>·of·file·<a·class="el"·href="../../dc/d47/a01487_source.html">standardDatasets.h</a>.</p>550 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00301">301</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
  
551 </div>551 </div>
552 </div>552 </div>
553 <a·id="a34da0d876ba862f4f44c6d63bfe67a25"·name="a34da0d876ba862f4f44c6d63bfe67a25"></a>553 <a·id="a34da0d876ba862f4f44c6d63bfe67a25"·name="a34da0d876ba862f4f44c6d63bfe67a25"></a>
554 <h2·class="memtitle"><span·class="permalink"><a·href="#a34da0d876ba862f4f44c6d63bfe67a25">&#9670;&nbsp;</a></span>type</h2>554 <h2·class="memtitle"><span·class="permalink"><a·href="#a34da0d876ba862f4f44c6d63bfe67a25">&#9670;&nbsp;</a></span>type</h2>
  
555 <div·class="memitem">555 <div·class="memitem">
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568 ··</td>568 ··</td>
569 ··<td·class="mlabels-right">569 ··<td·class="mlabels-right">
570 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>570 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
571 ··</tr>571 ··</tr>
572 </table>572 </table>
573 </div><div·class="memdoc">573 </div><div·class="memdoc">
  
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575 </div>575 </div>
576 </div>576 </div>
577 </div><!--·contents·-->577 </div><!--·contents·-->
578 <!--·start·footer·part·-->578 <!--·start·footer·part·-->
579 <hr·class="footer"/><address·class="footer"><small>579 <hr·class="footer"/><address·class="footer"><small>
580 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4580 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 ··<div·class="headertitle"><div·class="title">BALL::Exception::TooManyBonds·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::TooManyBonds·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·too·many·bonds·for·one·atom.··75 <p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·too·many·bonds·for·one·atom.··
76 ·<a·href="../../d4/d1a/a03154.html#details">More...</a></p>76 ·<a·href="../../d4/d1a/a03154.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::Exception::TooManyBonds:</div>79 Inheritance·diagram·for·BALL::Exception::TooManyBonds:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d4/d1a/a03154.png"·usemap="#BALL::Exception::TooManyBonds_map"·alt=""/>82 ··<img·src="../../d4/d1a/a03154.png"·usemap="#BALL::Exception::TooManyBonds_map"·alt=""/>
83 ··<map·id="BALL::Exception::TooManyBonds_map"·name="BALL::Exception::TooManyBonds_map">83 ··<map·id="BALL::Exception::TooManyBonds_map"·name="BALL::Exception::TooManyBonds_map">
84 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>84 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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134 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>134 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
135 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>135 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
136 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>136 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
137 </table>137 </table>
138 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>138 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
139 <div·class="textblock"><p·><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·too·many·bonds·for·one·atom.·</p>139 <div·class="textblock"><p·><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·too·many·bonds·for·one·atom.·</p>
  
140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00436">436</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00436">436</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
141 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>141 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
142 <a·id="a6ab5517c5204ec49e8870069cf4954c6"·name="a6ab5517c5204ec49e8870069cf4954c6"></a>142 <a·id="a6ab5517c5204ec49e8870069cf4954c6"·name="a6ab5517c5204ec49e8870069cf4954c6"></a>
143 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ab5517c5204ec49e8870069cf4954c6">&#9670;&nbsp;</a></span>TooManyBonds()</h2>143 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ab5517c5204ec49e8870069cf4954c6">&#9670;&nbsp;</a></span>TooManyBonds()</h2>
  
144 <div·class="memitem">144 <div·class="memitem">
145 <div·class="memproto">145 <div·class="memproto">
146 ······<table·class="memname">146 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;70 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;
71 <a·href="../../d0/de5/a03279.html">List·of·all·members</a>··</div>71 <a·href="../../d0/de5/a03279.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Factory&lt;·T·&gt;·Class·Template·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Factory&lt;·T·&gt;·Class·Template·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d0/dc0/a01652_source.html">BALL/CONCEPT/factory.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d60/a00818_source.html">BALL/CONCEPT/factory.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>
78 Static·Public·Member·Functions</h2></td></tr>78 Static·Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:a8f2b33ab484fc0173337ed87a0e2692e"><td·class="memItemLeft"·align="right"·valign="top">static·T·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d1b/a03282.html#a8f2b33ab484fc0173337ed87a0e2692e">create</a>·()</td></tr>79 <tr·class="memitem:a8f2b33ab484fc0173337ed87a0e2692e"><td·class="memItemLeft"·align="right"·valign="top">static·T·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d1b/a03282.html#a8f2b33ab484fc0173337ed87a0e2692e">create</a>·()</td></tr>
80 <tr·class="memdesc:a8f2b33ab484fc0173337ed87a0e2692e"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Return·a·pointer·to·a·new·instance·of·T.··<a·href="../../d4/d1b/a03282.html#a8f2b33ab484fc0173337ed87a0e2692e">More...</a><br·/></td></tr>80 <tr·class="memdesc:a8f2b33ab484fc0173337ed87a0e2692e"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Return·a·pointer·to·a·new·instance·of·T.··<a·href="../../d4/d1b/a03282.html#a8f2b33ab484fc0173337ed87a0e2692e">More...</a><br·/></td></tr>
81 <tr·class="separator:a8f2b33ab484fc0173337ed87a0e2692e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a8f2b33ab484fc0173337ed87a0e2692e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:afccc2715b8c58238a70ee303e14178b2"><td·class="memItemLeft"·align="right"·valign="top">static·void·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d1b/a03282.html#afccc2715b8c58238a70ee303e14178b2">createVoid</a>·()</td></tr>82 <tr·class="memitem:afccc2715b8c58238a70ee303e14178b2"><td·class="memItemLeft"·align="right"·valign="top">static·void·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d1b/a03282.html#afccc2715b8c58238a70ee303e14178b2">createVoid</a>·()</td></tr>
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87 <tr·class="memdesc:ad3b5dd6762293be14b285f503bf0aff1"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Return·a·reference·to·a·(pre-instantiated)·default·object.··<a·href="../../d4/d1b/a03282.html#ad3b5dd6762293be14b285f503bf0aff1">More...</a><br·/></td></tr>87 <tr·class="memdesc:ad3b5dd6762293be14b285f503bf0aff1"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Return·a·reference·to·a·(pre-instantiated)·default·object.··<a·href="../../d4/d1b/a03282.html#ad3b5dd6762293be14b285f503bf0aff1">More...</a><br·/></td></tr>
88 <tr·class="separator:ad3b5dd6762293be14b285f503bf0aff1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:ad3b5dd6762293be14b285f503bf0aff1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table>89 </table>
90 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>90 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
91 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T&gt;<br·/>91 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T&gt;<br·/>
92 class·BALL::Factory&lt;·T·&gt;</div><p·><a·class="el"·href="../../d4/d1b/a03282.html">Factory</a>·class.·The·factory·class·is·used·to·create·objects·of·the·type·it·was·parameterized·with.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>92 class·BALL::Factory&lt;·T·&gt;</div><p·><a·class="el"·href="../../d4/d1b/a03282.html">Factory</a>·class.·The·factory·class·is·used·to·create·objects·of·the·type·it·was·parameterized·with.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc0/a01652_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d0/dc0/a01652_source.html">factory.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d60/a00818_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d3/d60/a00818_source.html">factory.h</a>.</p>
94 </div><h2·class="groupheader">Member·Function·Documentation</h2>94 </div><h2·class="groupheader">Member·Function·Documentation</h2>
95 <a·id="a8f2b33ab484fc0173337ed87a0e2692e"·name="a8f2b33ab484fc0173337ed87a0e2692e"></a>95 <a·id="a8f2b33ab484fc0173337ed87a0e2692e"·name="a8f2b33ab484fc0173337ed87a0e2692e"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a8f2b33ab484fc0173337ed87a0e2692e">&#9670;&nbsp;</a></span>create()</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a8f2b33ab484fc0173337ed87a0e2692e">&#9670;&nbsp;</a></span>create()</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 <div·class="memtemplate">99 <div·class="memtemplate">
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116 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">static</span></span>··</td>116 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">static</span></span>··</td>
117 ··</tr>117 ··</tr>
118 </table>118 </table>
119 </div><div·class="memdoc">119 </div><div·class="memdoc">
  
120 <p>Return·a·pointer·to·a·new·instance·of·T.·</p>120 <p>Return·a·pointer·to·a·new·instance·of·T.·</p>
  
121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc0/a01652_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d0/dc0/a01652_source.html">factory.h</a>.</p>121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d60/a00818_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d3/d60/a00818_source.html">factory.h</a>.</p>
  
122 </div>122 </div>
123 </div>123 </div>
124 <a·id="afccc2715b8c58238a70ee303e14178b2"·name="afccc2715b8c58238a70ee303e14178b2"></a>124 <a·id="afccc2715b8c58238a70ee303e14178b2"·name="afccc2715b8c58238a70ee303e14178b2"></a>
125 <h2·class="memtitle"><span·class="permalink"><a·href="#afccc2715b8c58238a70ee303e14178b2">&#9670;&nbsp;</a></span>createVoid()</h2>125 <h2·class="memtitle"><span·class="permalink"><a·href="#afccc2715b8c58238a70ee303e14178b2">&#9670;&nbsp;</a></span>createVoid()</h2>
  
126 <div·class="memitem">126 <div·class="memitem">
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147 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">static</span></span>··</td>147 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">static</span></span>··</td>
148 ··</tr>148 ··</tr>
149 </table>149 </table>
150 </div><div·class="memdoc">150 </div><div·class="memdoc">
  
151 <p>Return·a·void·pointer·to·a·new·instance·of·T.·</p>151 <p>Return·a·void·pointer·to·a·new·instance·of·T.·</p>
  
152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc0/a01652_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d0/dc0/a01652_source.html">factory.h</a>.</p>152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d60/a00818_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d3/d60/a00818_source.html">factory.h</a>.</p>
  
153 </div>153 </div>
154 </div>154 </div>
155 <a·id="ad3b5dd6762293be14b285f503bf0aff1"·name="ad3b5dd6762293be14b285f503bf0aff1"></a>155 <a·id="ad3b5dd6762293be14b285f503bf0aff1"·name="ad3b5dd6762293be14b285f503bf0aff1"></a>
156 <h2·class="memtitle"><span·class="permalink"><a·href="#ad3b5dd6762293be14b285f503bf0aff1">&#9670;&nbsp;</a></span>getDefault()</h2>156 <h2·class="memtitle"><span·class="permalink"><a·href="#ad3b5dd6762293be14b285f503bf0aff1">&#9670;&nbsp;</a></span>getDefault()</h2>
  
157 <div·class="memitem">157 <div·class="memitem">
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178 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">static</span></span>··</td>178 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">static</span></span>··</td>
179 ··</tr>179 ··</tr>
180 </table>180 </table>
181 </div><div·class="memdoc">181 </div><div·class="memdoc">
  
182 <p>Return·a·reference·to·a·(pre-instantiated)·default·object.·</p>182 <p>Return·a·reference·to·a·(pre-instantiated)·default·object.·</p>
  
183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc0/a01652_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d0/dc0/a01652_source.html">factory.h</a>.</p>183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d60/a00818_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d3/d60/a00818_source.html">factory.h</a>.</p>
  
184 </div>184 </div>
185 </div>185 </div>
186 </div><!--·contents·-->186 </div><!--·contents·-->
187 <!--·start·footer·part·-->187 <!--·start·footer·part·-->
188 <hr·class="footer"/><address·class="footer"><small>188 <hr·class="footer"/><address·class="footer"><small>
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8 <title>BALL:·rotateBond.h·File·Reference</title>8 <title>BALL:·molecule.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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59 ········name="MSearchResults"·id="MSearchResults">59 ········name="MSearchResults"·id="MSearchResults">
60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c7a6b3e443e6f200d85971bee20841b.html">GENETICDOCK</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">rotateBond.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">molecule.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d7d/a01880_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../dd/ddc/a01802_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d7/d02/a01808_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d7/d21/a00584_source.html">BALL/KERNEL/fragment.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d6/d1a/a00485_source.html">BALL/KERNEL/fragmentIterator.h</a>&gt;</code><br·/>
77 </div>77 </div>
78 <p><a·href="../../d4/d1e/a00497_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d4/d1e/a00497_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">79 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>81 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a03782.html">BALL::RotateBond</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d73/a04542.html">BALL::Molecule</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
84 </table><table·class="memberdecls">84 </table><table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
86 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table>89 </table>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d0/d72/a07771.html">List·of·all·members</a>··</div>71 <a·href="../../d0/d72/a07771.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MotionTrackingEvent·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MotionTrackingEvent·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dd/d42/a01259_source.html">BALL/VIEW/INPUT/motionTrackingEvent.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d90/a01313_source.html">BALL/VIEW/INPUT/motionTrackingEvent.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::MotionTrackingEvent:</div>77 Inheritance·diagram·for·BALL::VIEW::MotionTrackingEvent:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d4/d1e/a07774.png"·usemap="#BALL::VIEW::MotionTrackingEvent_map"·alt=""/>80 ··<img·src="../../d4/d1e/a07774.png"·usemap="#BALL::VIEW::MotionTrackingEvent_map"·alt=""/>
81 ··<map·id="BALL::VIEW::MotionTrackingEvent_map"·name="BALL::VIEW::MotionTrackingEvent_map">81 ··<map·id="BALL::VIEW::MotionTrackingEvent_map"·name="BALL::VIEW::MotionTrackingEvent_map">
82 <area·href="../../dc/dbf/a07754.html"·alt="BALL::VIEW::DeviceEvent"·shape="rect"·coords="0,56,205,80"/>82 <area·href="../../dc/dbf/a07754.html"·alt="BALL::VIEW::DeviceEvent"·shape="rect"·coords="0,56,205,80"/>
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97 <tr·class="memitem:ad4a190d3316f5f7ff80708e371d57fac·inherit·pub_methods_a07754"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbf/a07754.html#ad4a190d3316f5f7ff80708e371d57fac">DeviceEvent</a>·(<a·class="el"·href="../../d4/dc0/a02225.html#aa2fca1fc37bdacf153845f4158b97baa">EventsIDs</a>·type,·<a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*device)</td></tr>97 <tr·class="memitem:ad4a190d3316f5f7ff80708e371d57fac·inherit·pub_methods_a07754"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbf/a07754.html#ad4a190d3316f5f7ff80708e371d57fac">DeviceEvent</a>·(<a·class="el"·href="../../d4/dc0/a02225.html#aa2fca1fc37bdacf153845f4158b97baa">EventsIDs</a>·type,·<a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*device)</td></tr>
98 <tr·class="separator:ad4a190d3316f5f7ff80708e371d57fac·inherit·pub_methods_a07754"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:ad4a190d3316f5f7ff80708e371d57fac·inherit·pub_methods_a07754"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 <tr·class="memitem:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbf/a07754.html#a9782e224d9fccb38e5e600ef01fe35a7">getDevice</a>·()</td></tr>99 <tr·class="memitem:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbf/a07754.html#a9782e224d9fccb38e5e600ef01fe35a7">getDevice</a>·()</td></tr>
100 <tr·class="separator:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 </table>101 </table>
102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
103 <div·class="textblock">103 <div·class="textblock">
104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d42/a01259_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../dd/d42/a01259_source.html">motionTrackingEvent.h</a>.</p>104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d90/a01313_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../de/d90/a01313_source.html">motionTrackingEvent.h</a>.</p>
105 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>105 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
106 <a·id="a4592b81450e5300043f0fb995b3ab5cd"·name="a4592b81450e5300043f0fb995b3ab5cd"></a>106 <a·id="a4592b81450e5300043f0fb995b3ab5cd"·name="a4592b81450e5300043f0fb995b3ab5cd"></a>
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76 <code>#include·&lt;vector&gt;</code><br·/> 
77 <code>#include·&lt;utility&gt;</code><br·/> 
78 <code>#include·&lt;random&gt;</code><br·/> 
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80 <p><a·href="../../d4/d1f/a00506_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d4/d1f/a00506_source.html">Go·to·the·source·code·of·this·file.</a></p>
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75 <code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d3/de5/a00209_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/>
76 <code>#include·&lt;BALL/VIEW/UIC/ui_molecularDynamicsDialog.h&gt;</code><br·/> 
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78 <p><a·href="../../d4/d20/a01421_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d4/d20/a01421_source.html">Go·to·the·source·code·of·this·file.</a></p>
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71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;72 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
73 <a·href="../../d0/d52/a05583.html">List·of·all·members</a>··</div>73 <a·href="../../d0/d52/a05583.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::PyKernel·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::PyKernel·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d7/dce/a00143_source.html">BALL/PYTHON/pyKernel.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../de/d55/a00323_source.html">BALL/PYTHON/pyKernel.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::PyKernel:</div>79 Inheritance·diagram·for·BALL::PyKernel:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d4/d20/a05586.png"·usemap="#BALL::PyKernel_map"·alt=""/>82 ··<img·src="../../d4/d20/a05586.png"·usemap="#BALL::PyKernel_map"·alt=""/>
83 ··<map·id="BALL::PyKernel_map"·name="BALL::PyKernel_map">83 ··<map·id="BALL::PyKernel_map"·name="BALL::PyKernel_map">
84 <area·href="../../d4/de2/a05578.html"·alt="BALL::PyCAPIKernel"·shape="rect"·coords="0,56,130,80"/>84 <area·href="../../d4/de2/a05578.html"·alt="BALL::PyCAPIKernel"·shape="rect"·coords="0,56,130,80"/>
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111 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pro-methods"·name="pro-methods"></a>111 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pro-methods"·name="pro-methods"></a>
112 Protected·Member·Functions</h2></td></tr>112 Protected·Member·Functions</h2></td></tr>
113 <tr·class="memitem:a5b2b193d07a4097cb745974c7daecb93"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d20/a05586.html#a5b2b193d07a4097cb745974c7daecb93">loadScriptDir</a>·()</td></tr>113 <tr·class="memitem:a5b2b193d07a4097cb745974c7daecb93"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d20/a05586.html#a5b2b193d07a4097cb745974c7daecb93">loadScriptDir</a>·()</td></tr>
114 <tr·class="separator:a5b2b193d07a4097cb745974c7daecb93"><td·class="memSeparator"·colspan="2">&#160;</td></tr>114 <tr·class="separator:a5b2b193d07a4097cb745974c7daecb93"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
115 </table>115 </table>
116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
117 <div·class="textblock">117 <div·class="textblock">
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dce/a00143_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d7/dce/a00143_source.html">pyKernel.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d55/a00323_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../de/d55/a00323_source.html">pyKernel.h</a>.</p>
119 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>119 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
120 <a·id="a4be98ec88ca6215d67a248f61a31d3df"·name="a4be98ec88ca6215d67a248f61a31d3df"></a>120 <a·id="a4be98ec88ca6215d67a248f61a31d3df"·name="a4be98ec88ca6215d67a248f61a31d3df"></a>
121 <h2·class="memtitle"><span·class="permalink"><a·href="#a4be98ec88ca6215d67a248f61a31d3df">&#9670;&nbsp;</a></span>KeyValArgs</h2>121 <h2·class="memtitle"><span·class="permalink"><a·href="#a4be98ec88ca6215d67a248f61a31d3df">&#9670;&nbsp;</a></span>KeyValArgs</h2>
  
122 <div·class="memitem">122 <div·class="memitem">
123 <div·class="memproto">123 <div·class="memproto">
124 ······<table·class="memname">124 ······<table·class="memname">
125 ········<tr>125 ········<tr>
126 ··········<td·class="memname">using·<a·class="el"·href="../../d4/d20/a05586.html#a4be98ec88ca6215d67a248f61a31d3df">BALL::PyKernel::KeyValArgs</a>·=··std::map&lt;std::string,·std::string&gt;</td>126 ··········<td·class="memname">using·<a·class="el"·href="../../d4/d20/a05586.html#a4be98ec88ca6215d67a248f61a31d3df">BALL::PyKernel::KeyValArgs</a>·=··std::map&lt;std::string,·std::string&gt;</td>
127 ········</tr>127 ········</tr>
128 ······</table>128 ······</table>
129 </div><div·class="memdoc">129 </div><div·class="memdoc">
  
130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dce/a00143_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d7/dce/a00143_source.html">pyKernel.h</a>.</p>130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d55/a00323_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../de/d55/a00323_source.html">pyKernel.h</a>.</p>
  
131 </div>131 </div>
132 </div>132 </div>
133 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>133 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
134 <a·id="a7cbeba1df075df15782cea9f3f75eb6f"·name="a7cbeba1df075df15782cea9f3f75eb6f"></a>134 <a·id="a7cbeba1df075df15782cea9f3f75eb6f"·name="a7cbeba1df075df15782cea9f3f75eb6f"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#a7cbeba1df075df15782cea9f3f75eb6f">&#9670;&nbsp;</a></span>PyKernel()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#a7cbeba1df075df15782cea9f3f75eb6f">&#9670;&nbsp;</a></span>PyKernel()</h2>
  
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8 <title>BALL:·fakeDriver.h·File·Reference</title>8 <title>BALL:·networkPreferences.h·File·Reference</title>
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14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c87a3f409bf7b467c2853acf63d5429e.html">INPUT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">fakeDriver.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">networkPreferences.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d95/a01247_source.html">BALL/VIEW/INPUT/inputDeviceDriver.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;BALL/VIEW/UIC/ui_networkPreferences.h&gt;</code><br·/>
 77 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/>
75 </div>78 </div>
76 <p><a·href="../../d4/d22/a01250_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d4/d22/a01250_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">80 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>82 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dec/a07758.html">BALL::VIEW::FakeDriver</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d9b/a07666.html">BALL::VIEW::NetworkPreferences</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">85 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
84 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>90 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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8 <title>BALL:·crystalGenerator.h·File·Reference</title>8 <title>BALL:·bondOrderAssignment.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_52a4bffbb942fe992d286b640b8d4d08.html">XRAY</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li><li·class="navelem"><a·class="el"·href="../../dir_6ac6220cac5eaca96612654e61f12e3a.html">BONDORDERS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">crystalGenerator.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">bondOrderAssignment.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d00/a00401_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../db/d29/a01895_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../df/d12/a01703_source.html">BALL/XRAY/crystalInfo.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d5/dae/a00767_source.html">BALL/STRUCTURE/geometricTransformations.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../dd/d57/a00701_source.html">BALL/STRUCTURE/geometricProperties.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d6/d15/a01697_source.html">BALL/STRUCTURE/BONDORDERS/partialBondOrderAssignment.h</a>&gt;</code><br·/>
80 <code>#include·&lt;<a·class="el"·href="../../dc/d06/a01832_source.html">BALL/MATHS/box3.h</a>&gt;</code><br·/> 
81 </div>77 </div>
82 <p><a·href="../../d4/d26/a01700_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d4/d26/a01700_source.html">Go·to·the·source·code·of·this·file.</a></p>
83 <table·class="memberdecls">79 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
85 Classes</h2></td></tr>81 Classes</h2></td></tr>
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a08574.html">BALL::CrystalGenerator</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d22/a06722.html">BALL::BondOrderAssignment</a></td></tr>
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/df8/a00440_source.html">BALL/QSAR/regressionModel.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;map&gt;</code><br·/> 
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78 <p><a·href="../../d4/d27/a00392_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d4/d27/a00392_source.html">Go·to·the·source·code·of·this·file.</a></p>
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74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColoringSettingsDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColoringSettingsDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d6/dae/a01304_source.html">BALL/VIEW/DIALOGS/coloringSettingsDialog.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d5/d32/a01214_source.html">BALL/VIEW/DIALOGS/coloringSettingsDialog.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
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80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d4/d28/a07554.png"·usemap="#BALL::VIEW::ColoringSettingsDialog_map"·alt=""/>82 ··<img·src="../../d4/d28/a07554.png"·usemap="#BALL::VIEW::ColoringSettingsDialog_map"·alt=""/>
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221 <h2·class="memtitle"><span·class="permalink"><a·href="#ab19a3d7ba2bde0c90cafb53dd79e95cd">&#9670;&nbsp;</a></span>ColoringSettingsDialog()</h2>221 <h2·class="memtitle"><span·class="permalink"><a·href="#ab19a3d7ba2bde0c90cafb53dd79e95cd">&#9670;&nbsp;</a></span>ColoringSettingsDialog()</h2>
  
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279 <p>Destructor.·</p>279 <p>Destructor.·</p>
  
280 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dae/a01304_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d6/dae/a01304_source.html">coloringSettingsDialog.h</a>.</p>280 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d32/a01214_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d5/d32/a01214_source.html">coloringSettingsDialog.h</a>.</p>
  
281 </div>281 </div>
282 </div>282 </div>
283 <h2·class="groupheader">Member·Function·Documentation</h2>283 <h2·class="groupheader">Member·Function·Documentation</h2>
284 <a·id="a5077e532d91cca451f3161a4ad700929"·name="a5077e532d91cca451f3161a4ad700929"></a>284 <a·id="a5077e532d91cca451f3161a4ad700929"·name="a5077e532d91cca451f3161a4ad700929"></a>
285 <h2·class="memtitle"><span·class="permalink"><a·href="#a5077e532d91cca451f3161a4ad700929">&#9670;&nbsp;</a></span>applySettingsTo()</h2>285 <h2·class="memtitle"><span·class="permalink"><a·href="#a5077e532d91cca451f3161a4ad700929">&#9670;&nbsp;</a></span>applySettingsTo()</h2>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
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67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#typedef-members">Typedefs</a>·&#124; 
72 <a·href="#func-members">Functions</a>··</div> 
73 ··<div·class="headertitle"><div·class="title">quaternion.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">reconstructFragmentProcessor.h·File·Reference</div></div>
74 </div><!--header-->72 </div><!--header-->
75 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;list&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
76 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d02/a01808_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d2/d94/a00716_source.html">BALL/DATATYPE/triple.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d7/d21/a00584_source.html">BALL/KERNEL/fragment.h</a>&gt;</code><br·/>
78 <code>#include·&lt;Eigen/Geometry&gt;</code><br·/> 
79 <code>#include·&lt;iostream&gt;</code><br·/> 
80 </div>79 </div>
81 <p><a·href="../../d4/d29/a01817_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../d4/d29/a01817_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls">81 <table·class="memberdecls">
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92 </table><table·class="memberdecls"> 
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
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95 <tr·class="memitem:adf956f63c74e2bb0a4786e2bae88d6a2"><td·class="memItemLeft"·align="right"·valign="top">typedef·TQuaternion&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#adf956f63c74e2bb0a4786e2bae88d6a2">BALL::Quaternion</a></td></tr> 
96 <tr·class="separator:adf956f63c74e2bb0a4786e2bae88d6a2"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 </table><table·class="memberdecls"> 
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100 <tr·class="memitem:a0ca47bf02b881f32a1cd4cdabc6a4d6d"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
101 <tr·class="memitem:a0ca47bf02b881f32a1cd4cdabc6a4d6d"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a0ca47bf02b881f32a1cd4cdabc6a4d6d">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·TQuaternion&lt;·T·&gt;·&amp;q)</td></tr> 
102 <tr·class="separator:a0ca47bf02b881f32a1cd4cdabc6a4d6d"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
103 <tr·class="memitem:a22b42c3a7e5fc6d847638f6c6e0231c3"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
104 <tr·class="memitem:a22b42c3a7e5fc6d847638f6c6e0231c3"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a22b42c3a7e5fc6d847638f6c6e0231c3">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·TQuaternion&lt;·T·&gt;·&amp;q)</td></tr> 
105 <tr·class="separator:a22b42c3a7e5fc6d847638f6c6e0231c3"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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109 <hr·class="footer"/><address·class="footer"><small>94 <hr·class="footer"/><address·class="footer"><small>
110 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.495 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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73 <a·href="../../dd/d77/a03659.html">List·of·all·members</a>··</div>73 <a·href="../../dd/d77/a03659.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::FlexDefinition·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::FlexDefinition·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../da/d7e/a00530_source.html">BALL/DOCKING/COMMON/flexDefinition.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d9/d1b/a01583_source.html">BALL/DOCKING/COMMON/flexDefinition.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
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81 <tr·class="memitem:af492ac9f5a9a56716c30026c73b3610e"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d2b/a03662.html#af492ac9f5a9a56716c30026c73b3610e">RotamerLibrary</a>·{·<a·class="el"·href="../../d4/d2b/a03662.html#af492ac9f5a9a56716c30026c73b3610ea361308ce81c5c591712bbc36d13e808e">DUNBRACK</a>·=·081 <tr·class="memitem:af492ac9f5a9a56716c30026c73b3610e"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d2b/a03662.html#af492ac9f5a9a56716c30026c73b3610e">RotamerLibrary</a>·{·<a·class="el"·href="../../d4/d2b/a03662.html#af492ac9f5a9a56716c30026c73b3610ea361308ce81c5c591712bbc36d13e808e">DUNBRACK</a>·=·0
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103 Static·Public·Member·Functions</h2></td></tr>103 Static·Public·Member·Functions</h2></td></tr>
104 <tr·class="memitem:aa29b88ef7a9f190cad485b9a159c8cfd"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d4/d2b/a03662.html">FlexDefinition</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d2b/a03662.html#aa29b88ef7a9f190cad485b9a159c8cfd">Rigid</a>·()</td></tr>104 <tr·class="memitem:aa29b88ef7a9f190cad485b9a159c8cfd"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d4/d2b/a03662.html">FlexDefinition</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d2b/a03662.html#aa29b88ef7a9f190cad485b9a159c8cfd">Rigid</a>·()</td></tr>
105 <tr·class="separator:aa29b88ef7a9f190cad485b9a159c8cfd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>105 <tr·class="separator:aa29b88ef7a9f190cad485b9a159c8cfd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
106 </table>106 </table>
107 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>107 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
108 <div·class="textblock"><p·><a·class="el"·href="../../d4/d2b/a03662.html">FlexDefinition</a>·class.·This·class·is·used·to·store·flexibility·information·about·a·receptor·object.·</p>108 <div·class="textblock"><p·><a·class="el"·href="../../d4/d2b/a03662.html">FlexDefinition</a>·class.·This·class·is·used·to·store·flexibility·information·about·a·receptor·object.·</p>
  
109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d7e/a00530_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../da/d7e/a00530_source.html">flexDefinition.h</a>.</p>109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d1b/a01583_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d9/d1b/a01583_source.html">flexDefinition.h</a>.</p>
110 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>110 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
111 <a·id="af492ac9f5a9a56716c30026c73b3610e"·name="af492ac9f5a9a56716c30026c73b3610e"></a>111 <a·id="af492ac9f5a9a56716c30026c73b3610e"·name="af492ac9f5a9a56716c30026c73b3610e"></a>
112 <h2·class="memtitle"><span·class="permalink"><a·href="#af492ac9f5a9a56716c30026c73b3610e">&#9670;&nbsp;</a></span>RotamerLibrary</h2>112 <h2·class="memtitle"><span·class="permalink"><a·href="#af492ac9f5a9a56716c30026c73b3610e">&#9670;&nbsp;</a></span>RotamerLibrary</h2>
  
113 <div·class="memitem">113 <div·class="memitem">
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126 </table>126 </table>
  
127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d7e/a00530_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../da/d7e/a00530_source.html">flexDefinition.h</a>.</p>127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d1b/a01583_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d9/d1b/a01583_source.html">flexDefinition.h</a>.</p>
  
128 </div>128 </div>
129 </div>129 </div>
130 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>130 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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132 <h2·class="memtitle"><span·class="permalink"><a·href="#ad2f85703043b72dc02f6784be80d6744">&#9670;&nbsp;</a></span>FlexDefinition()</h2>132 <h2·class="memtitle"><span·class="permalink"><a·href="#ad2f85703043b72dc02f6784be80d6744">&#9670;&nbsp;</a></span>FlexDefinition()</h2>
  
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>
65 </div>65 </div>
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67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">svmModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">fresnoTypes.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d1e/a02093_source.html">BALL/QSAR/classificationModel.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../da/dbe/a02084_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d9/de8/a02006_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
77 </div>76 </div>
78 <p><a·href="../../d4/d2e/a02051_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d4/d2e/a02051_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">78 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/de4/a06106.html">BALL::QSAR::SVMModel</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d28/a06274.html">BALL::FresnoTypes</a></td></tr>
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86 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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92 </div><!--·contents·-->89 </div><!--·contents·-->
93 <!--·start·footer·part·-->90 <!--·start·footer·part·-->
94 <hr·class="footer"/><address·class="footer"><small>91 <hr·class="footer"/><address·class="footer"><small>
95 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.492 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 <a·href="../../dc/de9/a06555.html">List·of·all·members</a>··</div>71 <a·href="../../dc/de9/a06555.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PierottiCavFreeEnergyProcessor::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PierottiCavFreeEnergyProcessor::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d3d/a01784_source.html">BALL/SOLVATION/pierottiCavFreeEnergyProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/dba/a01940_source.html">BALL/SOLVATION/pierottiCavFreeEnergyProcessor.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
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78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a30e0b13d4b7f1f970e11dd9bdf1aa900"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d30/a06558.html#a30e0b13d4b7f1f970e11dd9bdf1aa900">VERBOSITY</a></td></tr>79 <tr·class="memitem:a30e0b13d4b7f1f970e11dd9bdf1aa900"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d30/a06558.html#a30e0b13d4b7f1f970e11dd9bdf1aa900">VERBOSITY</a></td></tr>
80 <tr·class="separator:a30e0b13d4b7f1f970e11dd9bdf1aa900"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a30e0b13d4b7f1f970e11dd9bdf1aa900"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a86cf1991078715ba6e45a9c77812032d"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d30/a06558.html#a86cf1991078715ba6e45a9c77812032d">SOLVENT_NUMBER_DENSITY</a></td></tr>81 <tr·class="memitem:a86cf1991078715ba6e45a9c77812032d"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d30/a06558.html#a86cf1991078715ba6e45a9c77812032d">SOLVENT_NUMBER_DENSITY</a></td></tr>
82 <tr·class="separator:a86cf1991078715ba6e45a9c77812032d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a86cf1991078715ba6e45a9c77812032d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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89 <tr·class="separator:a57f517e09ae198f89cc2dacb7f041bac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a57f517e09ae198f89cc2dacb7f041bac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p·>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../de/d9f/a06554.html#affad0f88c05801c25b0d85f4ffc22576">PierottiCavFreeEnergyProcessor::options</a>.·</p>92 <div·class="textblock"><p·>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../de/d9f/a06554.html#affad0f88c05801c25b0d85f4ffc22576">PierottiCavFreeEnergyProcessor::options</a>.·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d3d/a01784_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d6/d3d/a01784_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
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96 <h2·class="memtitle"><span·class="permalink"><a·href="#a8f06f91e711ab691ec533640684c3371">&#9670;&nbsp;</a></span>ABSOLUTE_TEMPERATURE</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a8f06f91e711ab691ec533640684c3371">&#9670;&nbsp;</a></span>ABSOLUTE_TEMPERATURE</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 <table·class="mlabels">99 <table·class="mlabels">
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116 <dl·class="params"><dt>Parameters</dt><dd>116 <dl·class="params"><dt>Parameters</dt><dd>
117 ··<table·class="params">117 ··<table·class="params">
118 ····<tr><td·class="paramname">absolute_temperature</td><td>float;·</td></tr>118 ····<tr><td·class="paramname">absolute_temperature</td><td>float;·</td></tr>
119 ··</table>119 ··</table>
120 ··</dd>120 ··</dd>
121 </dl>121 </dl>
  
122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d3d/a01784_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d6/d3d/a01784_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>
  
123 </div>123 </div>
124 </div>124 </div>
125 <a·id="a095393d60b92d27a350ce03fe819d7a6"·name="a095393d60b92d27a350ce03fe819d7a6"></a>125 <a·id="a095393d60b92d27a350ce03fe819d7a6"·name="a095393d60b92d27a350ce03fe819d7a6"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a095393d60b92d27a350ce03fe819d7a6">&#9670;&nbsp;</a></span>PRESSURE</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a095393d60b92d27a350ce03fe819d7a6">&#9670;&nbsp;</a></span>PRESSURE</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
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147 <dl·class="params"><dt>Parameters</dt><dd>147 <dl·class="params"><dt>Parameters</dt><dd>
148 ··<table·class="params">148 ··<table·class="params">
149 ····<tr><td·class="paramname">pressure</td><td>float·</td></tr>149 ····<tr><td·class="paramname">pressure</td><td>float·</td></tr>
150 ··</table>150 ··</table>
151 ··</dd>151 ··</dd>
152 </dl>152 </dl>
  
153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d3d/a01784_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../d6/d3d/a01784_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>
  
154 </div>154 </div>
155 </div>155 </div>
156 <a·id="a57f517e09ae198f89cc2dacb7f041bac"·name="a57f517e09ae198f89cc2dacb7f041bac"></a>156 <a·id="a57f517e09ae198f89cc2dacb7f041bac"·name="a57f517e09ae198f89cc2dacb7f041bac"></a>
157 <h2·class="memtitle"><span·class="permalink"><a·href="#a57f517e09ae198f89cc2dacb7f041bac">&#9670;&nbsp;</a></span>PROBE_RADIUS</h2>157 <h2·class="memtitle"><span·class="permalink"><a·href="#a57f517e09ae198f89cc2dacb7f041bac">&#9670;&nbsp;</a></span>PROBE_RADIUS</h2>
  
158 <div·class="memitem">158 <div·class="memitem">
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178 <dl·class="params"><dt>Parameters</dt><dd>178 <dl·class="params"><dt>Parameters</dt><dd>
179 ··<table·class="params">179 ··<table·class="params">
180 ····<tr><td·class="paramname">probe_radius</td><td>float;·</td></tr>180 ····<tr><td·class="paramname">probe_radius</td><td>float;·</td></tr>
181 ··</table>181 ··</table>
182 ··</dd>182 ··</dd>
183 </dl>183 </dl>
  
184 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d3d/a01784_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../d6/d3d/a01784_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>184 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>
  
185 </div>185 </div>
186 </div>186 </div>
187 <a·id="a86cf1991078715ba6e45a9c77812032d"·name="a86cf1991078715ba6e45a9c77812032d"></a>187 <a·id="a86cf1991078715ba6e45a9c77812032d"·name="a86cf1991078715ba6e45a9c77812032d"></a>
188 <h2·class="memtitle"><span·class="permalink"><a·href="#a86cf1991078715ba6e45a9c77812032d">&#9670;&nbsp;</a></span>SOLVENT_NUMBER_DENSITY</h2>188 <h2·class="memtitle"><span·class="permalink"><a·href="#a86cf1991078715ba6e45a9c77812032d">&#9670;&nbsp;</a></span>SOLVENT_NUMBER_DENSITY</h2>
  
189 <div·class="memitem">189 <div·class="memitem">
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209 <dl·class="params"><dt>Parameters</dt><dd>209 <dl·class="params"><dt>Parameters</dt><dd>
210 ··<table·class="params">210 ··<table·class="params">
211 ····<tr><td·class="paramname">solvent_number_density</td><td>float·</td></tr>211 ····<tr><td·class="paramname">solvent_number_density</td><td>float·</td></tr>
212 ··</table>212 ··</table>
213 ··</dd>213 ··</dd>
214 </dl>214 </dl>
  
215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d3d/a01784_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d6/d3d/a01784_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>
  
216 </div>216 </div>
217 </div>217 </div>
218 <a·id="a30e0b13d4b7f1f970e11dd9bdf1aa900"·name="a30e0b13d4b7f1f970e11dd9bdf1aa900"></a>218 <a·id="a30e0b13d4b7f1f970e11dd9bdf1aa900"·name="a30e0b13d4b7f1f970e11dd9bdf1aa900"></a>
219 <h2·class="memtitle"><span·class="permalink"><a·href="#a30e0b13d4b7f1f970e11dd9bdf1aa900">&#9670;&nbsp;</a></span>VERBOSITY</h2>219 <h2·class="memtitle"><span·class="permalink"><a·href="#a30e0b13d4b7f1f970e11dd9bdf1aa900">&#9670;&nbsp;</a></span>VERBOSITY</h2>
  
220 <div·class="memitem">220 <div·class="memitem">
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240 <dl·class="params"><dt>Parameters</dt><dd>240 <dl·class="params"><dt>Parameters</dt><dd>
241 ··<table·class="params">241 ··<table·class="params">
242 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>242 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>
243 ··</table>243 ··</table>
244 ··</dd>244 ··</dd>
245 </dl>245 </dl>
  
246 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d3d/a01784_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d6/d3d/a01784_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>246 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>
  
247 </div>247 </div>
248 </div>248 </div>
249 </div><!--·contents·-->249 </div><!--·contents·-->
250 <!--·start·footer·part·-->250 <!--·start·footer·part·-->
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
 71 <a·href="#typedef-members">Typedefs</a>··</div>
71 ··<div·class="headertitle"><div·class="title">structurePreparer.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">proteinIterator.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d00/a00401_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d7e/a00530_source.html">BALL/KERNEL/iterator.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d4/deb/a00710_source.html">BALL/STRUCTURE/addHydrogenProcessor.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d5/dee/a00518_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/>
76 <code>#include·&lt;set&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/predicate.h</a>&gt;</code><br·/>
77 </div>78 </div>
78 <p><a·href="../../d4/d33/a00536_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d4/d33/a00536_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">80 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>82 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d08/a03730.html">BALL::StructurePreparer</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d76/a04606.html">BALL::ProteinIteratorTraits</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
84 </table><table·class="memberdecls">85 </table><table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
86 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 </table><table·class="memberdecls">
 91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
 92 Typedefs</h2></td></tr>
 93 <tr·class="memitem:a3469f880163699fe3be5aeaedc1d3c8c"><td·class="memItemLeft"·align="right"·valign="top">typedef·BidirectionalIterator&lt;·Composite,·Protein,·Composite::CompositeIterator,·ProteinIteratorTraits·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a3469f880163699fe3be5aeaedc1d3c8c">BALL::ProteinIterator</a></td></tr>
 94 <tr·class="separator:a3469f880163699fe3be5aeaedc1d3c8c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 <tr·class="memitem:ab143f7a2afa3d04ef7b63ac052fb274e"><td·class="memItemLeft"·align="right"·valign="top">typedef·ConstBidirectionalIterator&lt;·Composite,·Protein,·Composite::CompositeIterator,·ProteinIteratorTraits·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ab143f7a2afa3d04ef7b63ac052fb274e">BALL::ProteinConstIterator</a></td></tr>
 96 <tr·class="separator:ab143f7a2afa3d04ef7b63ac052fb274e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 <tr·class="memitem:ac00623816dfa085a35e9047ce975701f"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·ProteinIterator·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ac00623816dfa085a35e9047ce975701f">BALL::ProteinReverseIterator</a></td></tr>
 98 <tr·class="separator:ac00623816dfa085a35e9047ce975701f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 99 <tr·class="memitem:a6f712bd4e626310fb0c4dff5bba511c7"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·ProteinConstIterator·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a6f712bd4e626310fb0c4dff5bba511c7">BALL::ProteinConstReverseIterator</a></td></tr>
 100 <tr·class="separator:a6f712bd4e626310fb0c4dff5bba511c7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table>101 </table>
90 </div><!--·contents·-->102 </div><!--·contents·-->
91 <!--·start·footer·part·-->103 <!--·start·footer·part·-->
92 <hr·class="footer"/><address·class="footer"><small>104 <hr·class="footer"/><address·class="footer"><small>
93 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d8/d45/a07339.html">List·of·all·members</a>··</div>70 <a·href="../../d8/d45/a07339.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::Directory·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d7/db7/a02198.html">Operating·system·support</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::Directory·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d7/db7/a02198.html">Operating·system·support</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d1/da7/a01709_source.html">BALL/SYSTEM/directory.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d3/d2c/a00764_source.html">BALL/SYSTEM/directory.h</a>&gt;</code></p>
75 <table·class="memberdecls">75 <table·class="memberdecls">
76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
77 Public·Member·Functions</h2></td></tr>77 Public·Member·Functions</h2></td></tr>
78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>
79 <tr·class="memitem:a5e8f620305400afd032769c7aa341201"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d33/a07342.html#a5e8f620305400afd032769c7aa341201">Directory</a>·()</td></tr>79 <tr·class="memitem:a5e8f620305400afd032769c7aa341201"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d33/a07342.html#a5e8f620305400afd032769c7aa341201">Directory</a>·()</td></tr>
80 <tr·class="separator:a5e8f620305400afd032769c7aa341201"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a5e8f620305400afd032769c7aa341201"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a7aeb38f6bbef5b0f136cd1a3f03c4269"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d33/a07342.html#a7aeb38f6bbef5b0f136cd1a3f03c4269">Directory</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;directory_path,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·set_current=false)</td></tr>81 <tr·class="memitem:a7aeb38f6bbef5b0f136cd1a3f03c4269"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d33/a07342.html#a7aeb38f6bbef5b0f136cd1a3f03c4269">Directory</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;directory_path,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·set_current=false)</td></tr>
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153 <tr·class="memitem:a093eaea2ab8b1249a8c381bc8b985d16"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d33/a07342.html#a093eaea2ab8b1249a8c381bc8b985d16">changeToUserHomeDir</a>·()</td></tr>153 <tr·class="memitem:a093eaea2ab8b1249a8c381bc8b985d16"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d33/a07342.html#a093eaea2ab8b1249a8c381bc8b985d16">changeToUserHomeDir</a>·()</td></tr>
154 <tr·class="memdesc:a093eaea2ab8b1249a8c381bc8b985d16"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Goto·the·home·directory·of·the·current·user.··<a·href="../../d4/d33/a07342.html#a093eaea2ab8b1249a8c381bc8b985d16">More...</a><br·/></td></tr>154 <tr·class="memdesc:a093eaea2ab8b1249a8c381bc8b985d16"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Goto·the·home·directory·of·the·current·user.··<a·href="../../d4/d33/a07342.html#a093eaea2ab8b1249a8c381bc8b985d16">More...</a><br·/></td></tr>
155 <tr·class="separator:a093eaea2ab8b1249a8c381bc8b985d16"><td·class="memSeparator"·colspan="2">&#160;</td></tr>155 <tr·class="separator:a093eaea2ab8b1249a8c381bc8b985d16"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
156 </table>156 </table>
157 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>157 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
158 <div·class="textblock"><p·><a·class="el"·href="../../d4/d33/a07342.html">Directory</a>·class.·&lt;&gt;·</p>158 <div·class="textblock"><p·><a·class="el"·href="../../d4/d33/a07342.html">Directory</a>·class.·&lt;&gt;·</p>
  
159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/da7/a01709_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d1/da7/a01709_source.html">directory.h</a>.</p>159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d2c/a00764_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d3/d2c/a00764_source.html">directory.h</a>.</p>
160 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>160 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
161 <a·id="a5e8f620305400afd032769c7aa341201"·name="a5e8f620305400afd032769c7aa341201"></a>161 <a·id="a5e8f620305400afd032769c7aa341201"·name="a5e8f620305400afd032769c7aa341201"></a>
162 <h2·class="memtitle"><span·class="permalink"><a·href="#a5e8f620305400afd032769c7aa341201">&#9670;&nbsp;</a></span>Directory()·<span·class="overload">[1/3]</span></h2>162 <h2·class="memtitle"><span·class="permalink"><a·href="#a5e8f620305400afd032769c7aa341201">&#9670;&nbsp;</a></span>Directory()·<span·class="overload">[1/3]</span></h2>
  
163 <div·class="memitem">163 <div·class="memitem">
164 <div·class="memproto">164 <div·class="memproto">
165 ······<table·class="memname">165 ······<table·class="memname">
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926 ··<td·class="mlabels-right">926 ··<td·class="mlabels-right">
927 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>927 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
928 ··</tr>928 ··</tr>
929 </table>929 </table>
930 </div><div·class="memdoc">930 </div><div·class="memdoc">
931 <p·>The·maximum·length·of·a·path.·This·constant·is·used·for·system·calls·that·require·a·maximum·length·(e.g.,·getcwd()).·Default·is·8192.·</p>931 <p·>The·maximum·length·of·a·path.·This·constant·is·used·for·system·calls·that·require·a·maximum·length·(e.g.,·getcwd()).·Default·is·8192.·</p>
  
932 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/da7/a01709_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../d1/da7/a01709_source.html">directory.h</a>.</p>932 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d2c/a00764_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../d3/d2c/a00764_source.html">directory.h</a>.</p>
  
933 </div>933 </div>
934 </div>934 </div>
935 </div><!--·contents·-->935 </div><!--·contents·-->
936 <!--·start·footer·part·-->936 <!--·start·footer·part·-->
937 <hr·class="footer"/><address·class="footer"><small>937 <hr·class="footer"/><address·class="footer"><small>
938 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4938 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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8 <title>BALL:·minimizationDialog.h·File·Reference</title>8 <title>BALL:·pythonSettings.h·File·Reference</title>
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65 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>65 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
66 </div>66 </div>
67 </div><!--·top·-->67 </div><!--·top·-->
68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="#namespaces">Namespaces</a>··</div>71 <a·href="#namespaces">Namespaces</a>··</div>
72 ··<div·class="headertitle"><div·class="title">minimizationDialog.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">pythonSettings.h·File·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d9/d5b/a01127_source.html">BALL/VIEW/WIDGETS/pyWidget.h</a>&gt;</code><br·/>
77 <code>#include·&lt;BALL/VIEW/UIC/ui_minimizationDialog.h&gt;</code><br·/>78 <code>#include·&lt;BALL/VIEW/UIC/ui_pythonSettings.h&gt;</code><br·/>
 79 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/>
 80 <code>#include·&lt;QtGui/QFont&gt;</code><br·/>
78 </div>81 </div>
79 <p><a·href="../../d4/d34/a01298_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../d4/d34/a01298_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">83 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>85 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/da6/a07642.html">BALL::VIEW::MinimizationDialog</a></td></tr>86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d12/a07710.html">BALL::VIEW::PythonSettings</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table><table·class="memberdecls">88 </table><table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
87 Namespaces</h2></td></tr>90 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../da/dc6/a07459.html">List·of·all·members</a>··</div>70 <a·href="../../da/dc6/a07459.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorRGBA·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../dd/dce/a02200.html">Different·color·classes</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorRGBA·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../dd/dce/a02200.html">Different·color·classes</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d2/d21/a01484_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code></p>
75 <table·class="memberdecls">75 <table·class="memberdecls">
76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
77 Public·Member·Functions</h2></td></tr>77 Public·Member·Functions</h2></td></tr>
78 <tr><td·colspan="2"><div·class="groupHeader">Constructors</div></td></tr>78 <tr><td·colspan="2"><div·class="groupHeader">Constructors</div></td></tr>
79 <tr·class="memitem:a0ab08deb03c5641553fe2d80e2579d2d"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d36/a07462.html#a0ab08deb03c5641553fe2d80e2579d2d">ColorRGBA</a>·()</td></tr>79 <tr·class="memitem:a0ab08deb03c5641553fe2d80e2579d2d"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d36/a07462.html#a0ab08deb03c5641553fe2d80e2579d2d">ColorRGBA</a>·()</td></tr>
80 <tr·class="separator:a0ab08deb03c5641553fe2d80e2579d2d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a0ab08deb03c5641553fe2d80e2579d2d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:ab9281525988b8af831872e84523026ee"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d36/a07462.html#ab9281525988b8af831872e84523026ee">ColorRGBA</a>·(const·<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·&amp;color)</td></tr>81 <tr·class="memitem:ab9281525988b8af831872e84523026ee"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d36/a07462.html#ab9281525988b8af831872e84523026ee">ColorRGBA</a>·(const·<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·&amp;color)</td></tr>
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201 <tr·class="separator:ac69a183414bd52ccda73dfdba10f4248"><td·class="memSeparator"·colspan="2">&#160;</td></tr>201 <tr·class="separator:ac69a183414bd52ccda73dfdba10f4248"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
202 <tr·class="memitem:a5272d2a3f9a4073dc1838d7bc49bf5d2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#af31c06c1d17487e1322e1887673e87a8">BALL_VIEW_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d36/a07462.html#a5272d2a3f9a4073dc1838d7bc49bf5d2">operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·&amp;color)</td></tr>202 <tr·class="memitem:a5272d2a3f9a4073dc1838d7bc49bf5d2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#af31c06c1d17487e1322e1887673e87a8">BALL_VIEW_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d36/a07462.html#a5272d2a3f9a4073dc1838d7bc49bf5d2">operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·&amp;color)</td></tr>
203 <tr·class="separator:a5272d2a3f9a4073dc1838d7bc49bf5d2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>203 <tr·class="separator:a5272d2a3f9a4073dc1838d7bc49bf5d2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
204 </table>204 </table>
205 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>205 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
206 <div·class="textblock"><p·><a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·class.·An·instance·of·<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·represents·a·color·consisting·of·the·components·red,·green,·blue·and·alpha.·The·components·are·<a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·'s,·which·allow·many·types·of·input·parameters.·See·description·of·this·class·for·further·informations.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>206 <div·class="textblock"><p·><a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·class.·An·instance·of·<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·represents·a·color·consisting·of·the·components·red,·green,·blue·and·alpha.·The·components·are·<a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·'s,·which·allow·many·types·of·input·parameters.·See·description·of·this·class·for·further·informations.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>
  
207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d21/a01484_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d2/d21/a01484_source.html">colorRGBA.h</a>.</p>207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a01340_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d7/d51/a01340_source.html">colorRGBA.h</a>.</p>
208 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>208 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
209 <a·id="a0ab08deb03c5641553fe2d80e2579d2d"·name="a0ab08deb03c5641553fe2d80e2579d2d"></a>209 <a·id="a0ab08deb03c5641553fe2d80e2579d2d"·name="a0ab08deb03c5641553fe2d80e2579d2d"></a>
210 <h2·class="memtitle"><span·class="permalink"><a·href="#a0ab08deb03c5641553fe2d80e2579d2d">&#9670;&nbsp;</a></span>ColorRGBA()·<span·class="overload">[1/8]</span></h2>210 <h2·class="memtitle"><span·class="permalink"><a·href="#a0ab08deb03c5641553fe2d80e2579d2d">&#9670;&nbsp;</a></span>ColorRGBA()·<span·class="overload">[1/8]</span></h2>
  
211 <div·class="memitem">211 <div·class="memitem">
212 <div·class="memproto">212 <div·class="memproto">
213 ······<table·class="memname">213 ······<table·class="memname">
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1422 ··</td>1422 ··</td>
1423 ··<td·class="mlabels-right">1423 ··<td·class="mlabels-right">
1424 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>1424 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
1425 ··</tr>1425 ··</tr>
1426 </table>1426 </table>
1427 </div><div·class="memdoc">1427 </div><div·class="memdoc">
  
1428 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d21/a01484_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d2/d21/a01484_source.html">colorRGBA.h</a>.</p>1428 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a01340_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d7/d51/a01340_source.html">colorRGBA.h</a>.</p>
  
1429 </div>1429 </div>
1430 </div>1430 </div>
1431 <a·id="a5272d2a3f9a4073dc1838d7bc49bf5d2"·name="a5272d2a3f9a4073dc1838d7bc49bf5d2"></a>1431 <a·id="a5272d2a3f9a4073dc1838d7bc49bf5d2"·name="a5272d2a3f9a4073dc1838d7bc49bf5d2"></a>
1432 <h2·class="memtitle"><span·class="permalink"><a·href="#a5272d2a3f9a4073dc1838d7bc49bf5d2">&#9670;&nbsp;</a></span>operator&lt;&lt;</h2>1432 <h2·class="memtitle"><span·class="permalink"><a·href="#a5272d2a3f9a4073dc1838d7bc49bf5d2">&#9670;&nbsp;</a></span>operator&lt;&lt;</h2>
  
1433 <div·class="memitem">1433 <div·class="memitem">
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7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·HINFile.h·File·Reference</title>8 <title>BALL:·MMFF94.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_f03d71dde2003b483dd9e4436a4b37e3.html">MMFF94</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">HINFile.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">MMFF94.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d41/a00038_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d3/d8b/a00059_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../df/dc8/a00122_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d7/d06/a00131_source.html">BALL/MOLMEC/MMFF94/MMFF94Processors.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d6/dbd/a01829_source.html">BALL/MATHS/simpleBox3.h</a>&gt;</code><br·/>79 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../d7/d6d/a01769_source.html">BALL/STRUCTURE/kekulizer.h</a>&gt;</code><br·/>
 81 <code>#include·&lt;vector&gt;</code><br·/>
76 </div>82 </div>
77 <p><a·href="../../d4/d3e/a00116_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d4/d3e/a00116_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">84 <table·class="memberdecls">
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81 <p><a·href="../../d4/d41/a01661_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d4/d41/a01661_source.html">Go·to·the·source·code·of·this·file.</a></p>
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78 <table·class="memberdecls">79 <table·class="memberdecls">
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91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../d4/dd0/a08595.html">List·of·all·members</a>··</div>72 <a·href="../../d4/dd0/a08595.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::SpaceGroupParameters·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::SpaceGroupParameters·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8e/a01694_source.html">BALL/XRAY/spaceGroupParameters.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dc/d91/a00659_source.html">BALL/XRAY/spaceGroupParameters.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::SpaceGroupParameters:</div>78 Inheritance·diagram·for·BALL::SpaceGroupParameters:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d4/d46/a08598.png"·usemap="#BALL::SpaceGroupParameters_map"·alt=""/>81 ··<img·src="../../d4/d46/a08598.png"·usemap="#BALL::SpaceGroupParameters_map"·alt=""/>
82 ··<map·id="BALL::SpaceGroupParameters_map"·name="BALL::SpaceGroupParameters_map">82 ··<map·id="BALL::SpaceGroupParameters_map"·name="BALL::SpaceGroupParameters_map">
83 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,184,24"/>83 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,184,24"/>
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169 <tr·class="inherit_header·pub_static_attribs_a04082"><td·colspan="2"·onclick="javascript:toggleInherit('pub_static_attribs_a04082')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Public·Attributes·inherited·from·<a·class="el"·href="../../db/d64/a04082.html">BALL::ParameterSection</a></td></tr>169 <tr·class="inherit_header·pub_static_attribs_a04082"><td·colspan="2"·onclick="javascript:toggleInherit('pub_static_attribs_a04082')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Public·Attributes·inherited·from·<a·class="el"·href="../../db/d64/a04082.html">BALL::ParameterSection</a></td></tr>
170 <tr·class="memitem:a9ac05e32ffcf916b92539170f61befd2·inherit·pub_static_attribs_a04082"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a9ac05e32ffcf916b92539170f61befd2">UNDEFINED</a></td></tr>170 <tr·class="memitem:a9ac05e32ffcf916b92539170f61befd2·inherit·pub_static_attribs_a04082"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a9ac05e32ffcf916b92539170f61befd2">UNDEFINED</a></td></tr>
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172 </table>172 </table>
173 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>173 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
174 <div·class="textblock"><p·><a·class="el"·href="../../d4/d46/a08598.html">SpaceGroupParameters</a>.·</p>174 <div·class="textblock"><p·><a·class="el"·href="../../d4/d46/a08598.html">SpaceGroupParameters</a>.·</p>
  
175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">spaceGroupParameters.h</a>.</p>175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d91/a00659_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../dc/d91/a00659_source.html">spaceGroupParameters.h</a>.</p>
176 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>176 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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337 ··</td>337 ··</td>
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71 ··<div·class="headertitle"><div·class="title">BALL::Exception::GeneralException·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../db/d0e/a02124.html">Common·Definitions</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::Exception::GeneralException·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../db/d0e/a02124.html">Common·Definitions</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
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77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d4/d47/a03050.png"·usemap="#BALL::Exception::GeneralException_map"·alt=""/>79 ··<img·src="../../d4/d47/a03050.png"·usemap="#BALL::Exception::GeneralException_map"·alt=""/>
80 ··<map·id="BALL::Exception::GeneralException_map"·name="BALL::Exception::GeneralException_map">80 ··<map·id="BALL::Exception::GeneralException_map"·name="BALL::Exception::GeneralException_map">
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193 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>193 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
194 <div·class="textblock"><p·>General·exception·class.·This·class·is·intended·as·a·base·class·for·all·other·exceptions.·Each·exception·class·should·define·a·constructor·taking·a·string·and·an·int·as·parameters.·These·two·values·are·interpreted·as·the·current·filename·and·line·number·and·is·usually·printed·in·case·of·an·uncaught·exception.·To·support·this·feature,·each·<b>throw</b>·directive·should·look·as·follows:·</p><dl·class="section·user"><dt></dt><dd><code><b>throw·<a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a></b>(<b>FILE</b>,·<b>LINE</b>);</code>·</dd></dl>194 <div·class="textblock"><p·>General·exception·class.·This·class·is·intended·as·a·base·class·for·all·other·exceptions.·Each·exception·class·should·define·a·constructor·taking·a·string·and·an·int·as·parameters.·These·two·values·are·interpreted·as·the·current·filename·and·line·number·and·is·usually·printed·in·case·of·an·uncaught·exception.·To·support·this·feature,·each·<b>throw</b>·directive·should·look·as·follows:·</p><dl·class="section·user"><dt></dt><dd><code><b>throw·<a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a></b>(<b>FILE</b>,·<b>LINE</b>);</code>·</dd></dl>
195 <dl·class="section·user"><dt></dt><dd><code><b>FILE</b></code>·and·<code><b>LINE</b></code>·are·built-in·preprocessor·macros·that·hold·the·desired·information.·</dd></dl>195 <dl·class="section·user"><dt></dt><dd><code><b>FILE</b></code>·and·<code><b>LINE</b></code>·are·built-in·preprocessor·macros·that·hold·the·desired·information.·</dd></dl>
196 <dl·class="section·user"><dt></dt><dd><a·class="el"·href="../../da/da2/a02217.html">BALL</a>·provides·its·own·<a·class="el"·href="../../d1/db4/a03174.html#a7d58a960e00efad97296cb4512aa1855">terminate·</a>·handler.·This·handler·extracts·as·much·information·as·possible·from·the·exception,·prints·it·to·<code>cerr</code>·and·<a·class="el"·href="../../da/dd3/a03198.html">Log·</a>·,·and·finally·calls·exits·the·program·cleanly·(with·exit·code·1).·This·can·be·rather·inconvenient·for·debugging,·since·you·are·told·where·the·exception·was·thrown,·but·in·general·you·do·not·know·anything·about·the·context.·Therefore·<code>terminate</code>·can·also·create·a·core·dump.·Using·a·debugger·(e.g.·dbx·or·gdb)·you·can·then·create·a·stack·traceback.·To·create·a·core·dump,·you·should·set·the·environment·variable·<code>·BALL_DUMP_CORE</code>·to·any·(non·empty)·value.·</dd></dl>196 <dl·class="section·user"><dt></dt><dd><a·class="el"·href="../../da/da2/a02217.html">BALL</a>·provides·its·own·<a·class="el"·href="../../d1/db4/a03174.html#a7d58a960e00efad97296cb4512aa1855">terminate·</a>·handler.·This·handler·extracts·as·much·information·as·possible·from·the·exception,·prints·it·to·<code>cerr</code>·and·<a·class="el"·href="../../da/dd3/a03198.html">Log·</a>·,·and·finally·calls·exits·the·program·cleanly·(with·exit·code·1).·This·can·be·rather·inconvenient·for·debugging,·since·you·are·told·where·the·exception·was·thrown,·but·in·general·you·do·not·know·anything·about·the·context.·Therefore·<code>terminate</code>·can·also·create·a·core·dump.·Using·a·debugger·(e.g.·dbx·or·gdb)·you·can·then·create·a·stack·traceback.·To·create·a·core·dump,·you·should·set·the·environment·variable·<code>·BALL_DUMP_CORE</code>·to·any·(non·empty)·value.·</dd></dl>
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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533 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00110">110</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>533 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00110">110</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
  
534 </div>534 </div>
535 </div>535 </div>
536 </div><!--·contents·-->536 </div><!--·contents·-->
537 <!--·start·footer·part·-->537 <!--·start·footer·part·-->
538 <hr·class="footer"/><address·class="footer"><small>538 <hr·class="footer"/><address·class="footer"><small>
539 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4539 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d3/d16/a04935.html">List·of·all·members</a>··</div>70 <a·href="../../d3/d16/a04935.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::AmberBend·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d86/a02170.html">AMBER·Force·Field.</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::AmberBend·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d86/a02170.html">AMBER·Force·Field.</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d8/d19/a00935_source.html">BALL/MOLMEC/AMBER/amberBend.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d2/de7/a00014_source.html">BALL/MOLMEC/AMBER/amberBend.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::AmberBend:</div>76 Inheritance·diagram·for·BALL::AmberBend:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d4/d47/a04938.png"·usemap="#BALL::AmberBend_map"·alt=""/>79 ··<img·src="../../d4/d47/a04938.png"·usemap="#BALL::AmberBend_map"·alt=""/>
80 ··<map·id="BALL::AmberBend_map"·name="BALL::AmberBend_map">80 ··<map·id="BALL::AmberBend_map"·name="BALL::AmberBend_map">
81 <area·href="../../d7/dc7/a05066.html"·alt="BALL::BendComponent"·shape="rect"·coords="0,112,174,136"/>81 <area·href="../../d7/dc7/a05066.html"·alt="BALL::BendComponent"·shape="rect"·coords="0,112,174,136"/>
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231 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>231 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
232 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>232 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
233 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>233 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
234 </table>234 </table>
235 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>235 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
236 <div·class="textblock"><p·>Amber·bond·stretch·component·</p>236 <div·class="textblock"><p·>Amber·bond·stretch·component·</p>
  
237 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d19/a00935_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d8/d19/a00935_source.html">amberBend.h</a>.</p>237 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/de7/a00014_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d2/de7/a00014_source.html">amberBend.h</a>.</p>
238 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>238 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
239 <a·id="ae4879adc67cda68a9df28a9d93f20851"·name="ae4879adc67cda68a9df28a9d93f20851"></a>239 <a·id="ae4879adc67cda68a9df28a9d93f20851"·name="ae4879adc67cda68a9df28a9d93f20851"></a>
240 <h2·class="memtitle"><span·class="permalink"><a·href="#ae4879adc67cda68a9df28a9d93f20851">&#9670;&nbsp;</a></span>AmberBend()·<span·class="overload">[1/2]</span></h2>240 <h2·class="memtitle"><span·class="permalink"><a·href="#ae4879adc67cda68a9df28a9d93f20851">&#9670;&nbsp;</a></span>AmberBend()·<span·class="overload">[1/2]</span></h2>
  
241 <div·class="memitem">241 <div·class="memitem">
242 <div·class="memproto">242 <div·class="memproto">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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72 <a·href="../../d5/d12/a07975.html">List·of·all·members</a>··</div>72 <a·href="../../d5/d12/a07975.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MessageEvent·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MessageEvent·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../dd/d09/a01118_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::MessageEvent:</div>78 Inheritance·diagram·for·BALL::VIEW::MessageEvent:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d4/d47/a07978.png"·usemap="#BALL::VIEW::MessageEvent_map"·alt=""/>81 ··<img·src="../../d4/d47/a07978.png"·usemap="#BALL::VIEW::MessageEvent_map"·alt=""/>
82 ··<map·id="BALL::VIEW::MessageEvent_map"·name="BALL::VIEW::MessageEvent_map">82 ··<map·id="BALL::VIEW::MessageEvent_map"·name="BALL::VIEW::MessageEvent_map">
83 <area·href="../../d9/d25/a20102.html"·alt="QEvent"·shape="rect"·coords="0,0,169,24"/>83 <area·href="../../d9/d25/a20102.html"·alt="QEvent"·shape="rect"·coords="0,0,169,24"/>
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98 Protected·Attributes</h2></td></tr>98 Protected·Attributes</h2></td></tr>
99 <tr·class="memitem:a03e0f90c4ab69058709099c5b2b74ef2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a07978.html#a03e0f90c4ab69058709099c5b2b74ef2">message_</a></td></tr>99 <tr·class="memitem:a03e0f90c4ab69058709099c5b2b74ef2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a07978.html#a03e0f90c4ab69058709099c5b2b74ef2">message_</a></td></tr>
100 <tr·class="separator:a03e0f90c4ab69058709099c5b2b74ef2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:a03e0f90c4ab69058709099c5b2b74ef2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 </table>101 </table>
102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
103 <div·class="textblock"><p·>A·QT·Event,·that·can·contain·a·<a·class="el"·href="../../d4/dc0/a02225.html">VIEW</a>·message.·Use·this·class·to·post·events·and·thus·messages·over·thread·boundaries.·Create·the·<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·on·the·heap,·it·will·be·automatically·deleted·after·sending!·</p>103 <div·class="textblock"><p·>A·QT·Event,·that·can·contain·a·<a·class="el"·href="../../d4/dc0/a02225.html">VIEW</a>·message.·Use·this·class·to·post·events·and·thus·messages·over·thread·boundaries.·Create·the·<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·on·the·heap,·it·will·be·automatically·deleted·after·sending!·</p>
  
104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
105 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>105 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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107 <h2·class="memtitle"><span·class="permalink"><a·href="#a012e5222ff6bb64b9cbe9041a5e8bb1a">&#9670;&nbsp;</a></span>MessageEvent()</h2>107 <h2·class="memtitle"><span·class="permalink"><a·href="#a012e5222ff6bb64b9cbe9041a5e8bb1a">&#9670;&nbsp;</a></span>MessageEvent()</h2>
  
108 <div·class="memitem">108 <div·class="memitem">
109 <div·class="memproto">109 <div·class="memproto">
110 <table·class="mlabels">110 <table·class="mlabels">
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124 ··</td>124 ··</td>
125 ··<td·class="mlabels-right">125 ··<td·class="mlabels-right">
126 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>126 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
127 ··</tr>127 ··</tr>
128 </table>128 </table>
129 </div><div·class="memdoc">129 </div><div·class="memdoc">
  
130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
131 </div>131 </div>
132 </div>132 </div>
133 <h2·class="groupheader">Member·Function·Documentation</h2>133 <h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="a6b91ffa42f26fffbfb6aa7bc6d02f102"·name="a6b91ffa42f26fffbfb6aa7bc6d02f102"></a>134 <a·id="a6b91ffa42f26fffbfb6aa7bc6d02f102"·name="a6b91ffa42f26fffbfb6aa7bc6d02f102"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#a6b91ffa42f26fffbfb6aa7bc6d02f102">&#9670;&nbsp;</a></span>getMessage()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#a6b91ffa42f26fffbfb6aa7bc6d02f102">&#9670;&nbsp;</a></span>getMessage()</h2>
  
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152 ··</td>152 ··</td>
153 ··<td·class="mlabels-right">153 ··<td·class="mlabels-right">
154 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>154 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
155 ··</tr>155 ··</tr>
156 </table>156 </table>
157 </div><div·class="memdoc">157 </div><div·class="memdoc">
  
158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
159 </div>159 </div>
160 </div>160 </div>
161 <a·id="a475a5c298378a55e98a7f60f41e50fd7"·name="a475a5c298378a55e98a7f60f41e50fd7"></a>161 <a·id="a475a5c298378a55e98a7f60f41e50fd7"·name="a475a5c298378a55e98a7f60f41e50fd7"></a>
162 <h2·class="memtitle"><span·class="permalink"><a·href="#a475a5c298378a55e98a7f60f41e50fd7">&#9670;&nbsp;</a></span>setMessage()</h2>162 <h2·class="memtitle"><span·class="permalink"><a·href="#a475a5c298378a55e98a7f60f41e50fd7">&#9670;&nbsp;</a></span>setMessage()</h2>
  
163 <div·class="memitem">163 <div·class="memitem">
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180 ··</td>180 ··</td>
181 ··<td·class="mlabels-right">181 ··<td·class="mlabels-right">
182 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>182 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
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186 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>186 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
187 </div>187 </div>
188 </div>188 </div>
189 <h2·class="groupheader">Member·Data·Documentation</h2>189 <h2·class="groupheader">Member·Data·Documentation</h2>
190 <a·id="a03e0f90c4ab69058709099c5b2b74ef2"·name="a03e0f90c4ab69058709099c5b2b74ef2"></a>190 <a·id="a03e0f90c4ab69058709099c5b2b74ef2"·name="a03e0f90c4ab69058709099c5b2b74ef2"></a>
191 <h2·class="memtitle"><span·class="permalink"><a·href="#a03e0f90c4ab69058709099c5b2b74ef2">&#9670;&nbsp;</a></span>message_</h2>191 <h2·class="memtitle"><span·class="permalink"><a·href="#a03e0f90c4ab69058709099c5b2b74ef2">&#9670;&nbsp;</a></span>message_</h2>
  
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205 ··</td>205 ··</td>
206 ··<td·class="mlabels-right">206 ··<td·class="mlabels-right">
207 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>207 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
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210 </div><div·class="memdoc">210 </div><div·class="memdoc">
  
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213 </div>213 </div>
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215 <!--·start·footer·part·-->215 <!--·start·footer·part·-->
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217 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4217 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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78 <p><a·href="../../d4/d49/a01316_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d4/d49/a01316_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">77 <table·class="memberdecls">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d45/a00011_source.html">BALL/FORMAT/lineBasedFile.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
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75 </div>78 </div>
76 <p><a·href="../../d4/d51/a00017_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d4/d51/a00017_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">80 <table·class="memberdecls">
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79 <p><a·href="../../d4/d51/a01520_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d4/d51/a01520_source.html">Go·to·the·source·code·of·this·file.</a></p>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../d0/de1/a06735.html">List·of·all·members</a>··</div>71 <a·href="../../d0/de1/a06735.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::BranchAndBoundBondOrderStrategy::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::BranchAndBoundBondOrderStrategy::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dd/dc0/a00611_source.html">BALL/STRUCTURE/BONDORDERS/branchAndBoundBondOrderStrategy.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../df/d12/a01703_source.html">BALL/STRUCTURE/BONDORDERS/branchAndBoundBondOrderStrategy.h</a>&gt;</code></p>
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79 <tr·class="memitem:aca0f4019bf933e037bc1e920406bba7a"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d54/a06738.html#aca0f4019bf933e037bc1e920406bba7a">BRANCH_AND_BOUND_CUTOFF</a></td></tr>79 <tr·class="memitem:aca0f4019bf933e037bc1e920406bba7a"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d54/a06738.html#aca0f4019bf933e037bc1e920406bba7a">BRANCH_AND_BOUND_CUTOFF</a></td></tr>
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82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock">83 <div·class="textblock">
84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dc0/a00611_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../dd/dc0/a00611_source.html">branchAndBoundBondOrderStrategy.h</a>.</p>84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d12/a01703_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../df/d12/a01703_source.html">branchAndBoundBondOrderStrategy.h</a>.</p>
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86 <a·id="aca0f4019bf933e037bc1e920406bba7a"·name="aca0f4019bf933e037bc1e920406bba7a"></a>86 <a·id="aca0f4019bf933e037bc1e920406bba7a"·name="aca0f4019bf933e037bc1e920406bba7a"></a>
87 <h2·class="memtitle"><span·class="permalink"><a·href="#aca0f4019bf933e037bc1e920406bba7a">&#9670;&nbsp;</a></span>BRANCH_AND_BOUND_CUTOFF</h2>87 <h2·class="memtitle"><span·class="permalink"><a·href="#aca0f4019bf933e037bc1e920406bba7a">&#9670;&nbsp;</a></span>BRANCH_AND_BOUND_CUTOFF</h2>
  
88 <div·class="memitem">88 <div·class="memitem">
89 <div·class="memproto">89 <div·class="memproto">
90 <table·class="mlabels">90 <table·class="mlabels">
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100 ··</td>100 ··</td>
101 ··<td·class="mlabels-right">101 ··<td·class="mlabels-right">
102 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>102 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
103 ··</tr>103 ··</tr>
104 </table>104 </table>
105 </div><div·class="memdoc">105 </div><div·class="memdoc">
  
106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dc0/a00611_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../dd/dc0/a00611_source.html">branchAndBoundBondOrderStrategy.h</a>.</p>106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d12/a01703_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../df/d12/a01703_source.html">branchAndBoundBondOrderStrategy.h</a>.</p>
  
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108 </div>108 </div>
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110 <!--·start·footer·part·-->110 <!--·start·footer·part·-->
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../de/d1b/a05203.html">List·of·all·members</a>··</div>70 <a·href="../../de/d1b/a05203.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::SteepestDescentMinimizer·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../de/d92/a02175.html">Energy·Minimizer</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::SteepestDescentMinimizer·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../de/d92/a02175.html">Energy·Minimizer</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d9/d30/a00848_source.html">BALL/MOLMEC/MINIMIZATION/steepestDescent.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../dc/d57/a00194_source.html">BALL/MOLMEC/MINIMIZATION/steepestDescent.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::SteepestDescentMinimizer:</div>76 Inheritance·diagram·for·BALL::SteepestDescentMinimizer:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
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80 ··<map·id="BALL::SteepestDescentMinimizer_map"·name="BALL::SteepestDescentMinimizer_map">80 ··<map·id="BALL::SteepestDescentMinimizer_map"·name="BALL::SteepestDescentMinimizer_map">
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282 <tr·class="separator:a96b309d96054f91c2ee6b631ae9dacb7·inherit·pub_attribs_a05178"><td·class="memSeparator"·colspan="2">&#160;</td></tr>282 <tr·class="separator:a96b309d96054f91c2ee6b631ae9dacb7·inherit·pub_attribs_a05178"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
283 </table>283 </table>
284 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>284 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
285 <div·class="textblock"><p·>A·minimizer·for·geometry·optimization·based·on·steepest·descent·steps.·</p>285 <div·class="textblock"><p·>A·minimizer·for·geometry·optimization·based·on·steepest·descent·steps.·</p>
  
286 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d30/a00848_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d9/d30/a00848_source.html">steepestDescent.h</a>.</p>286 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d57/a00194_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../dc/d57/a00194_source.html">steepestDescent.h</a>.</p>
287 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>287 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
288 <a·id="abf5236750f6366a666507d14d95685e4"·name="abf5236750f6366a666507d14d95685e4"></a>288 <a·id="abf5236750f6366a666507d14d95685e4"·name="abf5236750f6366a666507d14d95685e4"></a>
289 <h2·class="memtitle"><span·class="permalink"><a·href="#abf5236750f6366a666507d14d95685e4">&#9670;&nbsp;</a></span>SteepestDescentMinimizer()·<span·class="overload">[1/6]</span></h2>289 <h2·class="memtitle"><span·class="permalink"><a·href="#abf5236750f6366a666507d14d95685e4">&#9670;&nbsp;</a></span>SteepestDescentMinimizer()·<span·class="overload">[1/6]</span></h2>
  
290 <div·class="memitem">290 <div·class="memitem">
291 <div·class="memproto">291 <div·class="memproto">
292 ······<table·class="memname">292 ······<table·class="memname">
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630 ··<td·class="mlabels-right">630 ··<td·class="mlabels-right">
631 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>631 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
632 ··</tr>632 ··</tr>
633 </table>633 </table>
634 </div><div·class="memdoc">634 </div><div·class="memdoc">
635 <p·>The·line·search·minimizer.·This·member·is·used·to·perform·the·line·search·in·findStep·</p>635 <p·>The·line·search·minimizer.·This·member·is·used·to·perform·the·line·search·in·findStep·</p>
  
636 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d30/a00848_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../d9/d30/a00848_source.html">steepestDescent.h</a>.</p>636 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d57/a00194_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../dc/d57/a00194_source.html">steepestDescent.h</a>.</p>
  
637 </div>637 </div>
638 </div>638 </div>
639 </div><!--·contents·-->639 </div><!--·contents·-->
640 <!--·start·footer·part·-->640 <!--·start·footer·part·-->
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_0f44562fa0092558829ef2f34049a706.html">MODELS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">fieldLineCreator.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">stageSettings.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d6/d80/a01076_source.html">BALL/VIEW/KERNEL/representation.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d2/d9b/a01433_source.html">BALL/VIEW/RENDERING/renderSetup.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d9/d6f/a01445_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;BALL/VIEW/UIC/ui_stageSettings.h&gt;</code><br·/>
 80 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/>
76 </div>81 </div>
77 <p><a·href="../../d4/d5d/a01202_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../d4/d5d/a01202_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">83 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table><table·class="memberdecls">88 </table><table·class="memberdecls">
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85 Namespaces</h2></td></tr>90 Namespaces</h2></td></tr>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../d8/d59/a03539.html">List·of·all·members</a>··</div>72 <a·href="../../d8/d59/a03539.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::HashSet&lt;·Key·&gt;::Node·Struct·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::HashSet&lt;·Key·&gt;::Node·Struct·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d9/d7d/a01880_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:af7c45b44ad5ad3d98fe6f95602ed6cea"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d5e/a03542.html#af7c45b44ad5ad3d98fe6f95602ed6cea">Node</a>·(const·<a·class="el"·href="../../d4/d8b/a03538.html#acf2a374a7798cd580b84e793587fe009">KeyType</a>·&amp;my_key,·const·<a·class="el"·href="../../d4/d5e/a03542.html">Node</a>·*my_next)</td></tr>80 <tr·class="memitem:af7c45b44ad5ad3d98fe6f95602ed6cea"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d5e/a03542.html#af7c45b44ad5ad3d98fe6f95602ed6cea">Node</a>·(const·<a·class="el"·href="../../d4/d8b/a03538.html#acf2a374a7798cd580b84e793587fe009">KeyType</a>·&amp;my_key,·const·<a·class="el"·href="../../d4/d5e/a03542.html">Node</a>·*my_next)</td></tr>
81 <tr·class="separator:af7c45b44ad5ad3d98fe6f95602ed6cea"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:af7c45b44ad5ad3d98fe6f95602ed6cea"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
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89 <tr·class="separator:a78e666689db1ea5855f2af9a605c6e4d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a78e666689db1ea5855f2af9a605c6e4d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·Key&gt;<br·/>92 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·Key&gt;<br·/>
93 struct·BALL::HashSet&lt;·Key·&gt;::Node</div>93 struct·BALL::HashSet&lt;·Key·&gt;::Node</div>
94 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7d/a01880_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d9/d7d/a01880_source.html">hashSet.h</a>.</p>94 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a00680_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d4/d9b/a00680_source.html">hashSet.h</a>.</p>
95 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>95 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
96 <a·id="af7c45b44ad5ad3d98fe6f95602ed6cea"·name="af7c45b44ad5ad3d98fe6f95602ed6cea"></a>96 <a·id="af7c45b44ad5ad3d98fe6f95602ed6cea"·name="af7c45b44ad5ad3d98fe6f95602ed6cea"></a>
97 <h2·class="memtitle"><span·class="permalink"><a·href="#af7c45b44ad5ad3d98fe6f95602ed6cea">&#9670;&nbsp;</a></span>Node()</h2>97 <h2·class="memtitle"><span·class="permalink"><a·href="#af7c45b44ad5ad3d98fe6f95602ed6cea">&#9670;&nbsp;</a></span>Node()</h2>
  
98 <div·class="memitem">98 <div·class="memitem">
99 <div·class="memproto">99 <div·class="memproto">
100 <div·class="memtemplate">100 <div·class="memtemplate">
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125 ··</td>125 ··</td>
126 ··<td·class="mlabels-right">126 ··<td·class="mlabels-right">
127 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>127 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
128 ··</tr>128 ··</tr>
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130 </div><div·class="memdoc">130 </div><div·class="memdoc">
  
131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7d/a01880_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../d9/d7d/a01880_source.html">hashSet.h</a>.</p>131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a00680_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../d4/d9b/a00680_source.html">hashSet.h</a>.</p>
  
132 </div>132 </div>
133 </div>133 </div>
134 <h2·class="groupheader">Member·Data·Documentation</h2>134 <h2·class="groupheader">Member·Data·Documentation</h2>
135 <a·id="a74fd128147b9beb4f4742414e83b8ddb"·name="a74fd128147b9beb4f4742414e83b8ddb"></a>135 <a·id="a74fd128147b9beb4f4742414e83b8ddb"·name="a74fd128147b9beb4f4742414e83b8ddb"></a>
136 <h2·class="memtitle"><span·class="permalink"><a·href="#a74fd128147b9beb4f4742414e83b8ddb">&#9670;&nbsp;</a></span>next</h2>136 <h2·class="memtitle"><span·class="permalink"><a·href="#a74fd128147b9beb4f4742414e83b8ddb">&#9670;&nbsp;</a></span>next</h2>
  
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144 ······<table·class="memname">144 ······<table·class="memname">
145 ········<tr>145 ········<tr>
146 ··········<td·class="memname"><a·class="el"·href="../../d4/d5e/a03542.html">Node</a>*·<a·class="el"·href="../../d4/d8b/a03538.html">BALL::HashSet</a>&lt;·Key·&gt;::Node::next</td>146 ··········<td·class="memname"><a·class="el"·href="../../d4/d5e/a03542.html">Node</a>*·<a·class="el"·href="../../d4/d8b/a03538.html">BALL::HashSet</a>&lt;·Key·&gt;::Node::next</td>
147 ········</tr>147 ········</tr>
148 ······</table>148 ······</table>
149 </div><div·class="memdoc">149 </div><div·class="memdoc">
  
150 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7d/a01880_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d9/d7d/a01880_source.html">hashSet.h</a>.</p>150 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a00680_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d4/d9b/a00680_source.html">hashSet.h</a>.</p>
  
151 </div>151 </div>
152 </div>152 </div>
153 <a·id="a78e666689db1ea5855f2af9a605c6e4d"·name="a78e666689db1ea5855f2af9a605c6e4d"></a>153 <a·id="a78e666689db1ea5855f2af9a605c6e4d"·name="a78e666689db1ea5855f2af9a605c6e4d"></a>
154 <h2·class="memtitle"><span·class="permalink"><a·href="#a78e666689db1ea5855f2af9a605c6e4d">&#9670;&nbsp;</a></span>value</h2>154 <h2·class="memtitle"><span·class="permalink"><a·href="#a78e666689db1ea5855f2af9a605c6e4d">&#9670;&nbsp;</a></span>value</h2>
  
155 <div·class="memitem">155 <div·class="memitem">
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162 ······<table·class="memname">162 ······<table·class="memname">
163 ········<tr>163 ········<tr>
164 ··········<td·class="memname"><a·class="el"·href="../../d4/d8b/a03538.html#a9cbbc090b792918fd7dd09480be83ea8">ValueType</a>·<a·class="el"·href="../../d4/d8b/a03538.html">BALL::HashSet</a>&lt;·Key·&gt;::Node::value</td>164 ··········<td·class="memname"><a·class="el"·href="../../d4/d8b/a03538.html#a9cbbc090b792918fd7dd09480be83ea8">ValueType</a>·<a·class="el"·href="../../d4/d8b/a03538.html">BALL::HashSet</a>&lt;·Key·&gt;::Node::value</td>
165 ········</tr>165 ········</tr>
166 ······</table>166 ······</table>
167 </div><div·class="memdoc">167 </div><div·class="memdoc">
  
168 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7d/a01880_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d9/d7d/a01880_source.html">hashSet.h</a>.</p>168 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a00680_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d4/d9b/a00680_source.html">hashSet.h</a>.</p>
  
169 </div>169 </div>
170 </div>170 </div>
171 </div><!--·contents·-->171 </div><!--·contents·-->
172 <!--·start·footer·part·-->172 <!--·start·footer·part·-->
173 <hr·class="footer"/><address·class="footer"><small>173 <hr·class="footer"/><address·class="footer"><small>
174 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4174 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../d6/dc7/a03683.html">List·of·all·members</a>··</div>72 <a·href="../../d6/dc7/a03683.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::RigidTransformation·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::RigidTransformation·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d3/d87/a00539_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d5/d10/a01571_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a7bffbd0f6fd5ece63b3d46fb48dc9b04"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d5e/a03686.html#a7bffbd0f6fd5ece63b3d46fb48dc9b04">RigidTransformation</a>·()</td></tr>80 <tr·class="memitem:a7bffbd0f6fd5ece63b3d46fb48dc9b04"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d5e/a03686.html#a7bffbd0f6fd5ece63b3d46fb48dc9b04">RigidTransformation</a>·()</td></tr>
81 <tr·class="separator:a7bffbd0f6fd5ece63b3d46fb48dc9b04"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a7bffbd0f6fd5ece63b3d46fb48dc9b04"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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83 <tr·class="separator:a703b46c68b1e3da24968c2867fc46fc6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:a703b46c68b1e3da24968c2867fc46fc6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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88 <tr·class="memitem:a6ead770c8b281ca27de51bc5f3d4f4a1"><td·class="memItemLeft"·align="right"·valign="top">Eigen::Vector3f&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d5e/a03686.html#a6ead770c8b281ca27de51bc5f3d4f4a1">translation</a></td></tr>88 <tr·class="memitem:a6ead770c8b281ca27de51bc5f3d4f4a1"><td·class="memItemLeft"·align="right"·valign="top">Eigen::Vector3f&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d5e/a03686.html#a6ead770c8b281ca27de51bc5f3d4f4a1">translation</a></td></tr>
89 <tr·class="separator:a6ead770c8b281ca27de51bc5f3d4f4a1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a6ead770c8b281ca27de51bc5f3d4f4a1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:ab135ea1fa02369ff9bd84d01733c9f8b"><td·class="memItemLeft"·align="right"·valign="top">Eigen::Matrix3f&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d5e/a03686.html#ab135ea1fa02369ff9bd84d01733c9f8b">rotation</a></td></tr>90 <tr·class="memitem:ab135ea1fa02369ff9bd84d01733c9f8b"><td·class="memItemLeft"·align="right"·valign="top">Eigen::Matrix3f&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d5e/a03686.html#ab135ea1fa02369ff9bd84d01733c9f8b">rotation</a></td></tr>
91 <tr·class="separator:ab135ea1fa02369ff9bd84d01733c9f8b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:ab135ea1fa02369ff9bd84d01733c9f8b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00193">193</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00193">193</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
97 <a·id="a7bffbd0f6fd5ece63b3d46fb48dc9b04"·name="a7bffbd0f6fd5ece63b3d46fb48dc9b04"></a>97 <a·id="a7bffbd0f6fd5ece63b3d46fb48dc9b04"·name="a7bffbd0f6fd5ece63b3d46fb48dc9b04"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a7bffbd0f6fd5ece63b3d46fb48dc9b04">&#9670;&nbsp;</a></span>RigidTransformation()·<span·class="overload">[1/2]</span></h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a7bffbd0f6fd5ece63b3d46fb48dc9b04">&#9670;&nbsp;</a></span>RigidTransformation()·<span·class="overload">[1/2]</span></h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 <table·class="mlabels">101 <table·class="mlabels">
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113 ··</td>113 ··</td>
114 ··<td·class="mlabels-right">114 ··<td·class="mlabels-right">
115 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>115 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
116 ··</tr>116 ··</tr>
117 </table>117 </table>
118 </div><div·class="memdoc">118 </div><div·class="memdoc">
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00196">196</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00196">196</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
120 </div>120 </div>
121 </div>121 </div>
122 <a·id="a703b46c68b1e3da24968c2867fc46fc6"·name="a703b46c68b1e3da24968c2867fc46fc6"></a>122 <a·id="a703b46c68b1e3da24968c2867fc46fc6"·name="a703b46c68b1e3da24968c2867fc46fc6"></a>
123 <h2·class="memtitle"><span·class="permalink"><a·href="#a703b46c68b1e3da24968c2867fc46fc6">&#9670;&nbsp;</a></span>RigidTransformation()·<span·class="overload">[2/2]</span></h2>123 <h2·class="memtitle"><span·class="permalink"><a·href="#a703b46c68b1e3da24968c2867fc46fc6">&#9670;&nbsp;</a></span>RigidTransformation()·<span·class="overload">[2/2]</span></h2>
  
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152 ··<td·class="mlabels-right">152 ··<td·class="mlabels-right">
153 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>153 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
154 ··</tr>154 ··</tr>
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156 </div><div·class="memdoc">156 </div><div·class="memdoc">
  
157 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00198">198</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>157 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00198">198</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
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160 <h2·class="groupheader">Member·Data·Documentation</h2>160 <h2·class="groupheader">Member·Data·Documentation</h2>
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162 <h2·class="memtitle"><span·class="permalink"><a·href="#ab135ea1fa02369ff9bd84d01733c9f8b">&#9670;&nbsp;</a></span>rotation</h2>162 <h2·class="memtitle"><span·class="permalink"><a·href="#ab135ea1fa02369ff9bd84d01733c9f8b">&#9670;&nbsp;</a></span>rotation</h2>
  
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169 ········<tr>169 ········<tr>
170 ··········<td·class="memname">Eigen::Matrix3f·BALL::PoseClustering::RigidTransformation::rotation</td>170 ··········<td·class="memname">Eigen::Matrix3f·BALL::PoseClustering::RigidTransformation::rotation</td>
171 ········</tr>171 ········</tr>
172 ······</table>172 ······</table>
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175 </div>175 </div>
176 </div>176 </div>
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178 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ead770c8b281ca27de51bc5f3d4f4a1">&#9670;&nbsp;</a></span>translation</h2>178 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ead770c8b281ca27de51bc5f3d4f4a1">&#9670;&nbsp;</a></span>translation</h2>
  
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185 ········<tr>185 ········<tr>
186 ··········<td·class="memname">Eigen::Vector3f·BALL::PoseClustering::RigidTransformation::translation</td>186 ··········<td·class="memname">Eigen::Vector3f·BALL::PoseClustering::RigidTransformation::translation</td>
187 ········</tr>187 ········</tr>
188 ······</table>188 ······</table>
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192 </div>192 </div>
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194 <!--·start·footer·part·-->194 <!--·start·footer·part·-->
195 <hr·class="footer"/><address·class="footer"><small>195 <hr·class="footer"/><address·class="footer"><small>
196 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4196 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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73 ··<div·class="headertitle"><div·class="title">BALL::QuaternionParameter·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::QuaternionParameter·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/ddf/a00488_source.html">BALL/DOCKING/GENETICDOCK/parameter.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d7/def/a01538_source.html">BALL/DOCKING/GENETICDOCK/parameter.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
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79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d4/d5f/a03778.png"·usemap="#BALL::QuaternionParameter_map"·alt=""/>81 ··<img·src="../../d4/d5f/a03778.png"·usemap="#BALL::QuaternionParameter_map"·alt=""/>
82 ··<map·id="BALL::QuaternionParameter_map"·name="BALL::QuaternionParameter_map">82 ··<map·id="BALL::QuaternionParameter_map"·name="BALL::QuaternionParameter_map">
83 <area·href="../../d2/d33/a03770.html"·alt="BALL::GenericParameter"·shape="rect"·coords="0,0,170,24"/>83 <area·href="../../d2/d33/a03770.html"·alt="BALL::GenericParameter"·shape="rect"·coords="0,0,170,24"/>
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116 Additional·Inherited·Members</h2></td></tr>116 Additional·Inherited·Members</h2></td></tr>
117 <tr·class="inherit_header·pro_attribs_a03770"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a03770')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d2/d33/a03770.html">BALL::GenericParameter</a></td></tr>117 <tr·class="inherit_header·pro_attribs_a03770"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a03770')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d2/d33/a03770.html">BALL::GenericParameter</a></td></tr>
118 <tr·class="memitem:a6723a926ebe945181678106eedb24317·inherit·pro_attribs_a03770"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d33/a03770.html#a6723a926ebe945181678106eedb24317">name_</a></td></tr>118 <tr·class="memitem:a6723a926ebe945181678106eedb24317·inherit·pro_attribs_a03770"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d33/a03770.html#a6723a926ebe945181678106eedb24317">name_</a></td></tr>
119 <tr·class="separator:a6723a926ebe945181678106eedb24317·inherit·pro_attribs_a03770"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a6723a926ebe945181678106eedb24317·inherit·pro_attribs_a03770"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock">122 <div·class="textblock">
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/ddf/a00488_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../d4/ddf/a00488_source.html">parameter.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">parameter.h</a>.</p>
124 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>124 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
125 <a·id="a6f9cf132fd719dea8d5e85279eb1a49c"·name="a6f9cf132fd719dea8d5e85279eb1a49c"></a>125 <a·id="a6f9cf132fd719dea8d5e85279eb1a49c"·name="a6f9cf132fd719dea8d5e85279eb1a49c"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a6f9cf132fd719dea8d5e85279eb1a49c">&#9670;&nbsp;</a></span>QuaternionParameter()·<span·class="overload">[1/2]</span></h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a6f9cf132fd719dea8d5e85279eb1a49c">&#9670;&nbsp;</a></span>QuaternionParameter()·<span·class="overload">[1/2]</span></h2>
  
127 <div·class="memitem">127 <div·class="memitem">
128 <div·class="memproto">128 <div·class="memproto">
129 ······<table·class="memname">129 ······<table·class="memname">
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216 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#adf956f63c74e2bb0a4786e2bae88d6a2">Quaternion</a>·BALL::QuaternionParameter::quat</td>216 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#adf956f63c74e2bb0a4786e2bae88d6a2">Quaternion</a>·BALL::QuaternionParameter::quat</td>
217 ········</tr>217 ········</tr>
218 ······</table>218 ······</table>
219 </div><div·class="memdoc">219 </div><div·class="memdoc">
220 <p·>parameter·value·</p>220 <p·>parameter·value·</p>
  
221 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/ddf/a00488_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../d4/ddf/a00488_source.html">parameter.h</a>.</p>221 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">parameter.h</a>.</p>
  
222 </div>222 </div>
223 </div>223 </div>
224 </div><!--·contents·-->224 </div><!--·contents·-->
225 <!--·start·footer·part·-->225 <!--·start·footer·part·-->
226 <hr·class="footer"/><address·class="footer"><small>226 <hr·class="footer"/><address·class="footer"><small>
227 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4227 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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64 ··<ul>64 ··<ul>
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66 </div>66 </div>
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70 <a·href="#nested-classes">Classes</a>·&#124; 
71 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#var-members">Variables</a>··</div>
72 ··<div·class="headertitle"><div·class="title">demoTutorialDialog.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">icons.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
  
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d0/de2/a01442_source.html">BALL/VIEW/PRIMITIVES/mesh.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../db/d29/a01895_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/> 
78 <code>#include·&quot;ui_demoTutorialDialog.h&quot;</code><br·/> 
79 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/> 
80 </div> 
81 <p><a·href="../../d4/d64/a02111_source.html">Go·to·the·source·code·of·this·file.</a></p>74 <p><a·href="../../d4/d64/a02111_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls">75 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
84 Classes</h2></td></tr> 
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dab/a08602.html">BALL::VIEW::DemoTutorialDialog</a></td></tr> 
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
87 </table><table·class="memberdecls"> 
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="var-members"·name="var-members"></a>
89 Namespaces</h2></td></tr>77 Variables</h2></td></tr>
90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>78 <tr·class="memitem:abb264087174fbf8cd5e8af88cd48fd41"><td·class="memItemLeft"·align="right"·valign="top">const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d64/a02111.html#abb264087174fbf8cd5e8af88cd48fd41">bucky_64x64_xpm</a>·[]</td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>79 <tr·class="separator:abb264087174fbf8cd5e8af88cd48fd41"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 </table>
 81 <h2·class="groupheader">Variable·Documentation</h2>
 82 <a·id="abb264087174fbf8cd5e8af88cd48fd41"·name="abb264087174fbf8cd5e8af88cd48fd41"></a>
 83 <h2·class="memtitle"><span·class="permalink"><a·href="#abb264087174fbf8cd5e8af88cd48fd41">&#9670;&nbsp;</a></span>bucky_64x64_xpm</h2>
  
 84 <div·class="memitem">
 85 <div·class="memproto">
 86 <table·class="mlabels">
 87 ··<tr>
 88 ··<td·class="mlabels-left">
 89 ······<table·class="memname">
 90 ········<tr>
 91 ··········<td·class="memname">const·char*·bucky_64x64_xpm[]</td>
 92 ········</tr>
 93 ······</table>
 94 ··</td>
 95 ··<td·class="mlabels-right">
 96 <span·class="mlabels"><span·class="mlabel">extern</span></span>··</td>
 97 ··</tr>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>
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67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">SESVertex.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">stringHashMap.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d0f/a00644_source.html">BALL/STRUCTURE/graphVertex.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d6/dfa/a00626_source.html">BALL/COMMON/hash.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../df/d0e/a00800_source.html">BALL/CONCEPT/visitor.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;algorithm&gt;</code><br·/>
76 </div>80 </div>
77 <p><a·href="../../d4/d6a/a00704_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../d4/d6a/a00704_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">82 <table·class="memberdecls">
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92 <tr·class="memitem:ga7f2b441b0572e857afaa280224707bcb"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga7f2b441b0572e857afaa280224707bcb">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·SESVertex·&amp;sesvertex)</td></tr> 
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98 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.496 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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74 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::EdgeComparator_·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::EdgeComparator_·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d4/d2a/a00632_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8e/a01694_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>
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81 <tr·class="memitem:aafc1d86d149c9d73a9241a5b4b90d6ee"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d7/d46/a03430.html">GRAPH::GraphTraits</a>&lt;·<a·class="el"·href="../../d4/d60/a03446.html">MolecularGraph</a>·&gt;::EdgeType&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d6c/a06782.html#aafc1d86d149c9d73a9241a5b4b90d6ee">Edge</a></td></tr>81 <tr·class="memitem:aafc1d86d149c9d73a9241a5b4b90d6ee"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d7/d46/a03430.html">GRAPH::GraphTraits</a>&lt;·<a·class="el"·href="../../d4/d60/a03446.html">MolecularGraph</a>·&gt;::EdgeType&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d6c/a06782.html#aafc1d86d149c9d73a9241a5b4b90d6ee">Edge</a></td></tr>
82 <tr·class="separator:aafc1d86d149c9d73a9241a5b4b90d6ee"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:aafc1d86d149c9d73a9241a5b4b90d6ee"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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93 Protected·Attributes</h2></td></tr>93 Protected·Attributes</h2></td></tr>
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95 <tr·class="separator:aac7b463915e611982cf61a5fa5ee751b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:aac7b463915e611982cf61a5fa5ee751b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table>96 </table>
97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
98 <div·class="textblock"><p·>A·comparator·for·edges·in·the·molecular·graph.·</p>98 <div·class="textblock"><p·>A·comparator·for·edges·in·the·molecular·graph.·</p>
  
99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00835">835</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00835">835</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
100 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>100 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
101 <a·id="aafc1d86d149c9d73a9241a5b4b90d6ee"·name="aafc1d86d149c9d73a9241a5b4b90d6ee"></a>101 <a·id="aafc1d86d149c9d73a9241a5b4b90d6ee"·name="aafc1d86d149c9d73a9241a5b4b90d6ee"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#aafc1d86d149c9d73a9241a5b4b90d6ee">&#9670;&nbsp;</a></span>Edge</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#aafc1d86d149c9d73a9241a5b4b90d6ee">&#9670;&nbsp;</a></span>Edge</h2>
  
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105 ······<table·class="memname">105 ······<table·class="memname">
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107 ··········<td·class="memname">typedef·<a·class="el"·href="../../d7/d46/a03430.html">GRAPH::GraphTraits</a>&lt;<a·class="el"·href="../../d4/d60/a03446.html">MolecularGraph</a>&gt;::EdgeType·<a·class="el"·href="../../d4/d6c/a06782.html#aafc1d86d149c9d73a9241a5b4b90d6ee">BALL::FPTBondOrderStrategy::EdgeComparator_::Edge</a></td>107 ··········<td·class="memname">typedef·<a·class="el"·href="../../d7/d46/a03430.html">GRAPH::GraphTraits</a>&lt;<a·class="el"·href="../../d4/d60/a03446.html">MolecularGraph</a>&gt;::EdgeType·<a·class="el"·href="../../d4/d6c/a06782.html#aafc1d86d149c9d73a9241a5b4b90d6ee">BALL::FPTBondOrderStrategy::EdgeComparator_::Edge</a></td>
108 ········</tr>108 ········</tr>
109 ······</table>109 ······</table>
110 </div><div·class="memdoc">110 </div><div·class="memdoc">
  
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00838">838</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00838">838</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
112 </div>112 </div>
113 </div>113 </div>
114 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>114 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
115 <a·id="a50ac40843ef7a4c6d3ebc18cf929d515"·name="a50ac40843ef7a4c6d3ebc18cf929d515"></a>115 <a·id="a50ac40843ef7a4c6d3ebc18cf929d515"·name="a50ac40843ef7a4c6d3ebc18cf929d515"></a>
116 <h2·class="memtitle"><span·class="permalink"><a·href="#a50ac40843ef7a4c6d3ebc18cf929d515">&#9670;&nbsp;</a></span>EdgeComparator_()</h2>116 <h2·class="memtitle"><span·class="permalink"><a·href="#a50ac40843ef7a4c6d3ebc18cf929d515">&#9670;&nbsp;</a></span>EdgeComparator_()</h2>
  
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136 ··</td>136 ··</td>
137 ··<td·class="mlabels-right">137 ··<td·class="mlabels-right">
138 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>138 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
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142 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00840">840</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>142 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00840">840</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
143 </div>143 </div>
144 </div>144 </div>
145 <h2·class="groupheader">Member·Function·Documentation</h2>145 <h2·class="groupheader">Member·Function·Documentation</h2>
146 <a·id="ad3aad703e5aee2d9d985bcb052cac4de"·name="ad3aad703e5aee2d9d985bcb052cac4de"></a>146 <a·id="ad3aad703e5aee2d9d985bcb052cac4de"·name="ad3aad703e5aee2d9d985bcb052cac4de"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#ad3aad703e5aee2d9d985bcb052cac4de">&#9670;&nbsp;</a></span>operator()()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#ad3aad703e5aee2d9d985bcb052cac4de">&#9670;&nbsp;</a></span>operator()()</h2>
  
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190 ··</td>190 ··</td>
191 ··<td·class="mlabels-right">191 ··<td·class="mlabels-right">
192 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>192 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
193 ··</tr>193 ··</tr>
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198 </div>198 </div>
199 </div><!--·contents·-->199 </div><!--·contents·-->
200 <!--·start·footer·part·-->200 <!--·start·footer·part·-->
201 <hr·class="footer"/><address·class="footer"><small>201 <hr·class="footer"/><address·class="footer"><small>
202 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4202 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d9/d58/a03371.html">List·of·all·members</a>··</div>70 <a·href="../../d9/d58/a03371.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::PreciseTime·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::PreciseTime·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d2/d2f/a01586_source.html">BALL/CONCEPT/timeStamp.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d8/d2d/a00815_source.html">BALL/CONCEPT/timeStamp.h</a>&gt;</code></p>
75 <table·class="memberdecls">75 <table·class="memberdecls">
76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
77 Public·Member·Functions</h2></td></tr>77 Public·Member·Functions</h2></td></tr>
78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors.</div></td></tr>78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors.</div></td></tr>
79 <tr·class="memitem:a6a1fb3059f8f3aa69d4b57a996f74580"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d6f/a03374.html#a6a1fb3059f8f3aa69d4b57a996f74580">PreciseTime</a>·()</td></tr>79 <tr·class="memitem:a6a1fb3059f8f3aa69d4b57a996f74580"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d6f/a03374.html#a6a1fb3059f8f3aa69d4b57a996f74580">PreciseTime</a>·()</td></tr>
80 <tr·class="separator:a6a1fb3059f8f3aa69d4b57a996f74580"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a6a1fb3059f8f3aa69d4b57a996f74580"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:aa2c78c185ba92c815d4fc0a9f8f1f8e2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d6f/a03374.html#aa2c78c185ba92c815d4fc0a9f8f1f8e2">PreciseTime</a>·(const·<a·class="el"·href="../../d4/d6f/a03374.html">PreciseTime</a>·&amp;time)</td></tr>81 <tr·class="memitem:aa2c78c185ba92c815d4fc0a9f8f1f8e2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d6f/a03374.html#aa2c78c185ba92c815d4fc0a9f8f1f8e2">PreciseTime</a>·(const·<a·class="el"·href="../../d4/d6f/a03374.html">PreciseTime</a>·&amp;time)</td></tr>
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126 <tr·class="memitem:a8d8559ff28a6aa43935a9f13b72efb7e"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d4/d6f/a03374.html">PreciseTime</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d6f/a03374.html#a8d8559ff28a6aa43935a9f13b72efb7e">now</a>·()</td></tr>126 <tr·class="memitem:a8d8559ff28a6aa43935a9f13b72efb7e"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d4/d6f/a03374.html">PreciseTime</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d6f/a03374.html#a8d8559ff28a6aa43935a9f13b72efb7e">now</a>·()</td></tr>
127 <tr·class="separator:a8d8559ff28a6aa43935a9f13b72efb7e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>127 <tr·class="separator:a8d8559ff28a6aa43935a9f13b72efb7e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
128 </table>128 </table>
129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
130 <div·class="textblock"><p·>Time·class.·Used·to·store·a·point·of·time.·This·class·provides·a·higher·precision·than·<a·class="el"·href="../../da/da2/a02217.html#a33313e0068bbaa94fae16f21ec2e6b25">Time·</a>·(below·seconds).·</p><dl·class="section·user"><dt></dt><dd><b>Interface:</b>·<code>Storable</code>·</dd></dl>130 <div·class="textblock"><p·>Time·class.·Used·to·store·a·point·of·time.·This·class·provides·a·higher·precision·than·<a·class="el"·href="../../da/da2/a02217.html#a33313e0068bbaa94fae16f21ec2e6b25">Time·</a>·(below·seconds).·</p><dl·class="section·user"><dt></dt><dd><b>Interface:</b>·<code>Storable</code>·</dd></dl>
131 <dl·class="section·user"><dt></dt><dd></dd></dl>131 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d2f/a01586_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d2/d2f/a01586_source.html">timeStamp.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d2d/a00815_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d8/d2d/a00815_source.html">timeStamp.h</a>.</p>
133 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>133 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
134 <a·id="a6a1fb3059f8f3aa69d4b57a996f74580"·name="a6a1fb3059f8f3aa69d4b57a996f74580"></a>134 <a·id="a6a1fb3059f8f3aa69d4b57a996f74580"·name="a6a1fb3059f8f3aa69d4b57a996f74580"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#a6a1fb3059f8f3aa69d4b57a996f74580">&#9670;&nbsp;</a></span>PreciseTime()·<span·class="overload">[1/3]</span></h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#a6a1fb3059f8f3aa69d4b57a996f74580">&#9670;&nbsp;</a></span>PreciseTime()·<span·class="overload">[1/3]</span></h2>
  
136 <div·class="memitem">136 <div·class="memitem">
137 <div·class="memproto">137 <div·class="memproto">
138 ······<table·class="memname">138 ······<table·class="memname">
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502 ··</td>502 ··</td>
503 ··<td·class="mlabels-right">503 ··<td·class="mlabels-right">
504 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>504 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
505 ··</tr>505 ··</tr>
506 </table>506 </table>
507 </div><div·class="memdoc">507 </div><div·class="memdoc">
  
508 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d2f/a01586_source.html#l00157">157</a>·of·file·<a·class="el"·href="../../d2/d2f/a01586_source.html">timeStamp.h</a>.</p>508 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d2d/a00815_source.html#l00157">157</a>·of·file·<a·class="el"·href="../../d8/d2d/a00815_source.html">timeStamp.h</a>.</p>
  
509 </div>509 </div>
510 </div>510 </div>
511 <a·id="a41e5e3fa00a482519da51fbef6813800"·name="a41e5e3fa00a482519da51fbef6813800"></a>511 <a·id="a41e5e3fa00a482519da51fbef6813800"·name="a41e5e3fa00a482519da51fbef6813800"></a>
512 <h2·class="memtitle"><span·class="permalink"><a·href="#a41e5e3fa00a482519da51fbef6813800">&#9670;&nbsp;</a></span>usecs_</h2>512 <h2·class="memtitle"><span·class="permalink"><a·href="#a41e5e3fa00a482519da51fbef6813800">&#9670;&nbsp;</a></span>usecs_</h2>
  
513 <div·class="memitem">513 <div·class="memitem">
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526 ··</td>526 ··</td>
527 ··<td·class="mlabels-right">527 ··<td·class="mlabels-right">
528 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>528 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
529 ··</tr>529 ··</tr>
530 </table>530 </table>
531 </div><div·class="memdoc">531 </div><div·class="memdoc">
  
532 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d2f/a01586_source.html#l00158">158</a>·of·file·<a·class="el"·href="../../d2/d2f/a01586_source.html">timeStamp.h</a>.</p>532 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d2d/a00815_source.html#l00158">158</a>·of·file·<a·class="el"·href="../../d8/d2d/a00815_source.html">timeStamp.h</a>.</p>
  
533 </div>533 </div>
534 </div>534 </div>
535 <a·id="a74def51349d67813b8580a0499c49100"·name="a74def51349d67813b8580a0499c49100"></a>535 <a·id="a74def51349d67813b8580a0499c49100"·name="a74def51349d67813b8580a0499c49100"></a>
536 <h2·class="memtitle"><span·class="permalink"><a·href="#a74def51349d67813b8580a0499c49100">&#9670;&nbsp;</a></span>ZERO</h2>536 <h2·class="memtitle"><span·class="permalink"><a·href="#a74def51349d67813b8580a0499c49100">&#9670;&nbsp;</a></span>ZERO</h2>
  
537 <div·class="memitem">537 <div·class="memitem">
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551 ··<td·class="mlabels-right">551 ··<td·class="mlabels-right">
552 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>552 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
553 ··</tr>553 ··</tr>
554 </table>554 </table>
555 </div><div·class="memdoc">555 </div><div·class="memdoc">
556 <p·>Zero·object.·</p>556 <p·>Zero·object.·</p>
  
557 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d2f/a01586_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../d2/d2f/a01586_source.html">timeStamp.h</a>.</p>557 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d2d/a00815_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../d8/d2d/a00815_source.html">timeStamp.h</a>.</p>
  
558 </div>558 </div>
559 </div>559 </div>
560 </div><!--·contents·-->560 </div><!--·contents·-->
561 <!--·start·footer·part·-->561 <!--·start·footer·part·-->
562 <hr·class="footer"/><address·class="footer"><small>562 <hr·class="footer"/><address·class="footer"><small>
563 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4563 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../df/dcb/a06879.html">List·of·all·members</a>··</div>70 <a·href="../../df/dcb/a06879.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::BoundingBoxProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../d8/db0/a02196.html">Geometric·property·processors.</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::BoundingBoxProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../d8/db0/a02196.html">Geometric·property·processors.</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../dd/d57/a00701_source.html">BALL/STRUCTURE/geometricProperties.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../dd/d20/a01772_source.html">BALL/STRUCTURE/geometricProperties.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::BoundingBoxProcessor:</div>76 Inheritance·diagram·for·BALL::BoundingBoxProcessor:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d4/d71/a06882.png"·usemap="#BALL::BoundingBoxProcessor_map"·alt=""/>79 ··<img·src="../../d4/d71/a06882.png"·usemap="#BALL::BoundingBoxProcessor_map"·alt=""/>
80 ··<map·id="BALL::BoundingBoxProcessor_map"·name="BALL::BoundingBoxProcessor_map">80 ··<map·id="BALL::BoundingBoxProcessor_map"·name="BALL::BoundingBoxProcessor_map">
81 <area·href="../../db/dee/a03338.html"·alt="BALL::ConstUnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>81 <area·href="../../db/dee/a03338.html"·alt="BALL::ConstUnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>
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131 </table>131 </table>
132 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>132 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
133 <div·class="textblock"><p·>Bounding·box·creating·processor.·This·class·iterates·over·all·atoms·of·a·given·molecular·object·and·determines·the·lowest·and·the·highest·coordinates·occuring.·It·returns·two·coordinates·(·<a·class="el"·href="../../d4/d71/a06882.html#ac279c890afb556d2f094253022392b12">getLower·</a>·,·<a·class="el"·href="../../d4/d71/a06882.html#ad75b4bb8f06a5c173ab6b3d66fc2bb3d">getUpper·</a>·)·describing·the·smallest·cuboid·(whose·sides·are·parallel·to·the·planes·defined·by·the·corrdinate·axes)·enclosing·all·atoms·of·the·molecular·object.·</p><dl·class="section·user"><dt></dt><dd>This·processor·is·useful·to·determine·the·extent·of·a·molecular·object·if·you·want·to·define·a·<a·class="el"·href="../../">THashGrid·</a>·or·alike·objects.·</dd></dl>133 <div·class="textblock"><p·>Bounding·box·creating·processor.·This·class·iterates·over·all·atoms·of·a·given·molecular·object·and·determines·the·lowest·and·the·highest·coordinates·occuring.·It·returns·two·coordinates·(·<a·class="el"·href="../../d4/d71/a06882.html#ac279c890afb556d2f094253022392b12">getLower·</a>·,·<a·class="el"·href="../../d4/d71/a06882.html#ad75b4bb8f06a5c173ab6b3d66fc2bb3d">getUpper·</a>·)·describing·the·smallest·cuboid·(whose·sides·are·parallel·to·the·planes·defined·by·the·corrdinate·axes)·enclosing·all·atoms·of·the·molecular·object.·</p><dl·class="section·user"><dt></dt><dd>This·processor·is·useful·to·determine·the·extent·of·a·molecular·object·if·you·want·to·define·a·<a·class="el"·href="../../">THashGrid·</a>·or·alike·objects.·</dd></dl>
134 <dl·class="section·user"><dt></dt><dd>The·coordinates·returned·by·<a·class="el"·href="../../d4/d71/a06882.html#ac279c890afb556d2f094253022392b12">getLower·</a>·and·<a·class="el"·href="../../d4/d71/a06882.html#ad75b4bb8f06a5c173ab6b3d66fc2bb3d">getUpper·</a>·are·only·valid,·if·the·processor·has·been·applied·to·a·molecular·object·containing·atoms.·</dd></dl>134 <dl·class="section·user"><dt></dt><dd>The·coordinates·returned·by·<a·class="el"·href="../../d4/d71/a06882.html#ac279c890afb556d2f094253022392b12">getLower·</a>·and·<a·class="el"·href="../../d4/d71/a06882.html#ad75b4bb8f06a5c173ab6b3d66fc2bb3d">getUpper·</a>·are·only·valid,·if·the·processor·has·been·applied·to·a·molecular·object·containing·atoms.·</dd></dl>
135 <dl·class="section·user"><dt></dt><dd></dd></dl>135 <dl·class="section·user"><dt></dt><dd></dd></dl>
136 <dl·class="section·user"><dt></dt><dd></dd></dl>136 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d57/a00701_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../dd/d57/a00701_source.html">geometricProperties.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d20/a01772_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../dd/d20/a01772_source.html">geometricProperties.h</a>.</p>
138 </div><h2·class="groupheader">Member·Function·Documentation</h2>138 </div><h2·class="groupheader">Member·Function·Documentation</h2>
139 <a·id="ac4f8076ebb4c15c35e36f0c56a272262"·name="ac4f8076ebb4c15c35e36f0c56a272262"></a>139 <a·id="ac4f8076ebb4c15c35e36f0c56a272262"·name="ac4f8076ebb4c15c35e36f0c56a272262"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#ac4f8076ebb4c15c35e36f0c56a272262">&#9670;&nbsp;</a></span>finish()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#ac4f8076ebb4c15c35e36f0c56a272262">&#9670;&nbsp;</a></span>finish()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
142 <div·class="memproto">142 <div·class="memproto">
143 <table·class="mlabels">143 <table·class="mlabels">
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244 ··</tr>244 ··</tr>
245 </table>245 </table>
246 </div><div·class="memdoc">246 </div><div·class="memdoc">
247 <p·>Contributes·the·coordinates·of·provided·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·to·the·bounding·box.·The·function·internally·calls·the·more·generic·operator()·with·<a·class="el"·href="../../d1/dce/a02168.html">Three-dimensional·vector.</a>·argument·derived·from·atom·position.·</p>247 <p·>Contributes·the·coordinates·of·provided·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·to·the·bounding·box.·The·function·internally·calls·the·more·generic·operator()·with·<a·class="el"·href="../../d1/dce/a02168.html">Three-dimensional·vector.</a>·argument·derived·from·atom·position.·</p>
  
248 <p>Reimplemented·from·<a·class="el"·href="../../db/dee/a03338.html#a7ae8716d8fcdb01fcccc794d9ae2c29a">BALL::ConstUnaryProcessor&lt;·Atom·&gt;</a>.</p>248 <p>Reimplemented·from·<a·class="el"·href="../../db/dee/a03338.html#a7ae8716d8fcdb01fcccc794d9ae2c29a">BALL::ConstUnaryProcessor&lt;·Atom·&gt;</a>.</p>
  
249 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d57/a00701_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../dd/d57/a00701_source.html">geometricProperties.h</a>.</p>249 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d20/a01772_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../dd/d20/a01772_source.html">geometricProperties.h</a>.</p>
  
250 </div>250 </div>
251 </div>251 </div>
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253 <h2·class="memtitle"><span·class="permalink"><a·href="#a83e933e79cd1702d4ca9051298d865e5">&#9670;&nbsp;</a></span>operator()()·<span·class="overload">[2/2]</span></h2>253 <h2·class="memtitle"><span·class="permalink"><a·href="#a83e933e79cd1702d4ca9051298d865e5">&#9670;&nbsp;</a></span>operator()()·<span·class="overload">[2/2]</span></h2>
  
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../de/db5/a04695.html">List·of·all·members</a>··</div>71 <a·href="../../de/db5/a04695.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::NucleicAcidPredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::NucleicAcidPredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::NucleicAcidPredicate:</div>77 Inheritance·diagram·for·BALL::NucleicAcidPredicate:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d4/d7b/a04698.png"·usemap="#BALL::NucleicAcidPredicate_map"·alt=""/>80 ··<img·src="../../d4/d7b/a04698.png"·usemap="#BALL::NucleicAcidPredicate_map"·alt=""/>
81 ··<map·id="BALL::NucleicAcidPredicate_map"·name="BALL::NucleicAcidPredicate_map">81 ··<map·id="BALL::NucleicAcidPredicate_map"·name="BALL::NucleicAcidPredicate_map">
82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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116 Additional·Inherited·Members</h2></td></tr>116 Additional·Inherited·Members</h2></td></tr>
117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock">122 <div·class="textblock">
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00291">291</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00291">291</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
125 <a·id="acac0e0fb551d174bf1f9132b412ab318"·name="acac0e0fb551d174bf1f9132b412ab318"></a>125 <a·id="acac0e0fb551d174bf1f9132b412ab318"·name="acac0e0fb551d174bf1f9132b412ab318"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#acac0e0fb551d174bf1f9132b412ab318">&#9670;&nbsp;</a></span>operator()()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#acac0e0fb551d174bf1f9132b412ab318">&#9670;&nbsp;</a></span>operator()()</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
128 <div·class="memproto">128 <div·class="memproto">
129 <table·class="mlabels">129 <table·class="mlabels">
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d1/d33/a07471.html">List·of·all·members</a>··</div>70 <a·href="../../d1/d33/a07471.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorUnitHue·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../dd/d14/a02201.html">Format·conversion·classes·used·by·the·color·classes</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorUnitHue·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../dd/d14/a02201.html">Format·conversion·classes·used·by·the·color·classes</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../de/dc6/a01502_source.html">BALL/VIEW/DATATYPE/colorUnitHue.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../de/d6c/a01349_source.html">BALL/VIEW/DATATYPE/colorUnitHue.h</a>&gt;</code></p>
75 <table·class="memberdecls">75 <table·class="memberdecls">
76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
77 Public·Member·Functions</h2></td></tr>77 Public·Member·Functions</h2></td></tr>
78 <tr><td·colspan="2"><div·class="groupHeader">Constructors</div></td></tr>78 <tr><td·colspan="2"><div·class="groupHeader">Constructors</div></td></tr>
79 <tr·class="memitem:a8bb77facd85e419fa1c705aefe137e87"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7b/a07474.html#a8bb77facd85e419fa1c705aefe137e87">ColorUnitHue</a>·()</td></tr>79 <tr·class="memitem:a8bb77facd85e419fa1c705aefe137e87"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7b/a07474.html#a8bb77facd85e419fa1c705aefe137e87">ColorUnitHue</a>·()</td></tr>
80 <tr·class="separator:a8bb77facd85e419fa1c705aefe137e87"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a8bb77facd85e419fa1c705aefe137e87"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a489256eb78adb15173005b20af54514a"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7b/a07474.html#a489256eb78adb15173005b20af54514a">ColorUnitHue</a>·(const·<a·class="el"·href="../../d4/d7b/a07474.html">ColorUnitHue</a>·&amp;colcor_h_unit)</td></tr>81 <tr·class="memitem:a489256eb78adb15173005b20af54514a"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7b/a07474.html#a489256eb78adb15173005b20af54514a">ColorUnitHue</a>·(const·<a·class="el"·href="../../d4/d7b/a07474.html">ColorUnitHue</a>·&amp;colcor_h_unit)</td></tr>
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224 <tr·class="separator:aacb7a790a5e71efe78ae28829b1f4e65"><td·class="memSeparator"·colspan="2">&#160;</td></tr>224 <tr·class="separator:aacb7a790a5e71efe78ae28829b1f4e65"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
225 <tr·class="memitem:aaa825fed3b8f71958c1aefe0a1f202ff"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7b/a07474.html#aaa825fed3b8f71958c1aefe0a1f202ff">operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../d4/d7b/a07474.html">ColorUnitHue</a>·&amp;color_unit_hue)</td></tr>225 <tr·class="memitem:aaa825fed3b8f71958c1aefe0a1f202ff"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7b/a07474.html#aaa825fed3b8f71958c1aefe0a1f202ff">operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../d4/d7b/a07474.html">ColorUnitHue</a>·&amp;color_unit_hue)</td></tr>
226 <tr·class="separator:aaa825fed3b8f71958c1aefe0a1f202ff"><td·class="memSeparator"·colspan="2">&#160;</td></tr>226 <tr·class="separator:aaa825fed3b8f71958c1aefe0a1f202ff"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
227 </table>227 </table>
228 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>228 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
229 <div·class="textblock"><p·>Value·for·the·hue·component·of·the·class·<a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>.·The·class·handles·the·many·possible·variations·a·hue·value·can·be·set·(e.g.·integer,·float,·string·values·can·be·given·as·parameter).·The·integer·values·are·of·range·<code>·0-360</code>,·the·float·values·are·of·range·0-1.0·and·the·strings·are·given·in·hex·format·<code>·"000"-"168"</code>·for·the·values·<code>·0-360</code>.·<a·class="el"·href="../../d4/d7b/a07474.html">ColorUnitHue</a>·provides·certain·conversion·functions·as·well·that·will·convert·its·value·to·the·needed·type.·</p>229 <div·class="textblock"><p·>Value·for·the·hue·component·of·the·class·<a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>.·The·class·handles·the·many·possible·variations·a·hue·value·can·be·set·(e.g.·integer,·float,·string·values·can·be·given·as·parameter).·The·integer·values·are·of·range·<code>·0-360</code>,·the·float·values·are·of·range·0-1.0·and·the·strings·are·given·in·hex·format·<code>·"000"-"168"</code>·for·the·values·<code>·0-360</code>.·<a·class="el"·href="../../d4/d7b/a07474.html">ColorUnitHue</a>·provides·certain·conversion·functions·as·well·that·will·convert·its·value·to·the·needed·type.·</p>
  
230 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dc6/a01502_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../de/dc6/a01502_source.html">colorUnitHue.h</a>.</p>230 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d6c/a01349_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../de/d6c/a01349_source.html">colorUnitHue.h</a>.</p>
231 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>231 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
232 <a·id="a8bb77facd85e419fa1c705aefe137e87"·name="a8bb77facd85e419fa1c705aefe137e87"></a>232 <a·id="a8bb77facd85e419fa1c705aefe137e87"·name="a8bb77facd85e419fa1c705aefe137e87"></a>
233 <h2·class="memtitle"><span·class="permalink"><a·href="#a8bb77facd85e419fa1c705aefe137e87">&#9670;&nbsp;</a></span>ColorUnitHue()·<span·class="overload">[1/13]</span></h2>233 <h2·class="memtitle"><span·class="permalink"><a·href="#a8bb77facd85e419fa1c705aefe137e87">&#9670;&nbsp;</a></span>ColorUnitHue()·<span·class="overload">[1/13]</span></h2>
  
234 <div·class="memitem">234 <div·class="memitem">
235 <div·class="memproto">235 <div·class="memproto">
236 ······<table·class="memname">236 ······<table·class="memname">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../df/dcb/a03699.html">List·of·all·members</a>··</div>72 <a·href="../../df/dcb/a03699.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::ClusterTreeNodeComparator·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::ClusterTreeNodeComparator·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d3/d87/a00539_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d5/d10/a01571_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:ae3a81ce38b147b0017fd8f69c88febeb"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7d/a03702.html#ae3a81ce38b147b0017fd8f69c88febeb">ClusterTreeNodeComparator</a>·(<a·class="el"·href="../../d0/d1e/a03674.html#a9ac37589c086f7b03e78073fe2d6ea07">ClusterTree</a>·&amp;cluster_tree)</td></tr>80 <tr·class="memitem:ae3a81ce38b147b0017fd8f69c88febeb"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7d/a03702.html#ae3a81ce38b147b0017fd8f69c88febeb">ClusterTreeNodeComparator</a>·(<a·class="el"·href="../../d0/d1e/a03674.html#a9ac37589c086f7b03e78073fe2d6ea07">ClusterTree</a>·&amp;cluster_tree)</td></tr>
81 <tr·class="separator:ae3a81ce38b147b0017fd8f69c88febeb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:ae3a81ce38b147b0017fd8f69c88febeb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:af22e236bc05b9c2d674cb5e127cbd409"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7d/a03702.html#af22e236bc05b9c2d674cb5e127cbd409">operator()</a>·(<a·class="el"·href="../../d0/d1e/a03674.html#ab8c5a0ea661807d606715c417e20c2c2">ClusterTreeNode</a>·const·first,·<a·class="el"·href="../../d0/d1e/a03674.html#ab8c5a0ea661807d606715c417e20c2c2">ClusterTreeNode</a>·const·second)·const</td></tr>82 <tr·class="memitem:af22e236bc05b9c2d674cb5e127cbd409"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7d/a03702.html#af22e236bc05b9c2d674cb5e127cbd409">operator()</a>·(<a·class="el"·href="../../d0/d1e/a03674.html#ab8c5a0ea661807d606715c417e20c2c2">ClusterTreeNode</a>·const·first,·<a·class="el"·href="../../d0/d1e/a03674.html#ab8c5a0ea661807d606715c417e20c2c2">ClusterTreeNode</a>·const·second)·const</td></tr>
83 <tr·class="separator:af22e236bc05b9c2d674cb5e127cbd409"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:af22e236bc05b9c2d674cb5e127cbd409"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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87 Protected·Attributes</h2></td></tr>87 Protected·Attributes</h2></td></tr>
88 <tr·class="memitem:a9079dd7afe88fd2f3e3bcd78bbd0979b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d0/d1e/a03674.html#a9ac37589c086f7b03e78073fe2d6ea07">ClusterTree</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7d/a03702.html#a9079dd7afe88fd2f3e3bcd78bbd0979b">cluster_tree_</a></td></tr>88 <tr·class="memitem:a9079dd7afe88fd2f3e3bcd78bbd0979b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d0/d1e/a03674.html#a9ac37589c086f7b03e78073fe2d6ea07">ClusterTree</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7d/a03702.html#a9079dd7afe88fd2f3e3bcd78bbd0979b">cluster_tree_</a></td></tr>
89 <tr·class="separator:a9079dd7afe88fd2f3e3bcd78bbd0979b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a9079dd7afe88fd2f3e3bcd78bbd0979b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p·>A·nested·class·for·our·cluster·tree·node·priorization·</p>92 <div·class="textblock"><p·>A·nested·class·for·our·cluster·tree·node·priorization·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00578">578</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00578">578</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
94 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>94 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
95 <a·id="ae3a81ce38b147b0017fd8f69c88febeb"·name="ae3a81ce38b147b0017fd8f69c88febeb"></a>95 <a·id="ae3a81ce38b147b0017fd8f69c88febeb"·name="ae3a81ce38b147b0017fd8f69c88febeb"></a>
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97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
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113 ··</td>113 ··</td>
114 ··<td·class="mlabels-right">114 ··<td·class="mlabels-right">
115 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>115 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
116 ··</tr>116 ··</tr>
117 </table>117 </table>
118 </div><div·class="memdoc">118 </div><div·class="memdoc">
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00581">581</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00581">581</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
120 </div>120 </div>
121 </div>121 </div>
122 <h2·class="groupheader">Member·Function·Documentation</h2>122 <h2·class="groupheader">Member·Function·Documentation</h2>
123 <a·id="af22e236bc05b9c2d674cb5e127cbd409"·name="af22e236bc05b9c2d674cb5e127cbd409"></a>123 <a·id="af22e236bc05b9c2d674cb5e127cbd409"·name="af22e236bc05b9c2d674cb5e127cbd409"></a>
124 <h2·class="memtitle"><span·class="permalink"><a·href="#af22e236bc05b9c2d674cb5e127cbd409">&#9670;&nbsp;</a></span>operator()()</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#af22e236bc05b9c2d674cb5e127cbd409">&#9670;&nbsp;</a></span>operator()()</h2>
  
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153 ··<td·class="mlabels-right">153 ··<td·class="mlabels-right">
154 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>154 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
155 ··</tr>155 ··</tr>
156 </table>156 </table>
157 </div><div·class="memdoc">157 </div><div·class="memdoc">
  
158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00585">585</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00585">585</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
159 </div>159 </div>
160 </div>160 </div>
161 <h2·class="groupheader">Member·Data·Documentation</h2>161 <h2·class="groupheader">Member·Data·Documentation</h2>
162 <a·id="a9079dd7afe88fd2f3e3bcd78bbd0979b"·name="a9079dd7afe88fd2f3e3bcd78bbd0979b"></a>162 <a·id="a9079dd7afe88fd2f3e3bcd78bbd0979b"·name="a9079dd7afe88fd2f3e3bcd78bbd0979b"></a>
163 <h2·class="memtitle"><span·class="permalink"><a·href="#a9079dd7afe88fd2f3e3bcd78bbd0979b">&#9670;&nbsp;</a></span>cluster_tree_</h2>163 <h2·class="memtitle"><span·class="permalink"><a·href="#a9079dd7afe88fd2f3e3bcd78bbd0979b">&#9670;&nbsp;</a></span>cluster_tree_</h2>
  
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177 ··</td>177 ··</td>
178 ··<td·class="mlabels-right">178 ··<td·class="mlabels-right">
179 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>179 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
180 ··</tr>180 ··</tr>
181 </table>181 </table>
182 </div><div·class="memdoc">182 </div><div·class="memdoc">
  
183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00594">594</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00594">594</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
184 </div>184 </div>
185 </div>185 </div>
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62 <div·id="nav-path"·class="navpath"> 
63 ··<ul> 
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul> 
65 </div> 
66 </div><!--·top·-->62 </div><!--·top·-->
67 <div·class="header">63 <div·class="header">
68 ··<div·class="summary"> 
69 <a·href="#nested-classes">Classes</a>·&#124; 
70 <a·href="#namespaces">Namespaces</a>··</div> 
71 ··<div·class="headertitle"><div·class="title">GAMESSLogFile.h·File·Reference</div></div>64 ··<div·class="headertitle"><div·class="title">molmec.doc·File·Reference</div></div>
72 </div><!--header-->65 </div><!--header-->
73 <div·class="contents">66 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d41/a00038_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;BALL/STRUCTURE/QMBasisSet.h&gt;</code><br·/> 
76 <code>#include·&lt;BALL/STRUCTURE/splitValenceSet.h&gt;</code><br·/> 
77 </div> 
78 <p><a·href="../../d4/d81/a00110_source.html">Go·to·the·source·code·of·this·file.</a></p> 
79 <table·class="memberdecls"> 
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
81 Classes</h2></td></tr> 
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d7a/a03902.html">BALL::GAMESSLogFile</a></td></tr> 
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d10/a03906.html">BALL::GAMESSLogFile::State</a></td></tr> 
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
86 </table><table·class="memberdecls"> 
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
88 Namespaces</h2></td></tr> 
89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
91 </table> 
92 </div><!--·contents·-->67 </div><!--·contents·-->
93 <!--·start·footer·part·-->68 <!--·start·footer·part·-->
94 <hr·class="footer"/><address·class="footer"><small>69 <hr·class="footer"/><address·class="footer"><small>
95 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.470 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../dd/dce/a05135.html">List·of·all·members</a>··</div>71 <a·href="../../dd/dce/a05135.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::CanonicalMD·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d6e/a02174.html">Molecular·Dynamics·Simulation</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::CanonicalMD·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d6e/a02174.html">Molecular·Dynamics·Simulation</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/de5/a00956_source.html">BALL/MOLMEC/MDSIMULATION/canonicalMD.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../db/dd9/a00179_source.html">BALL/MOLMEC/MDSIMULATION/canonicalMD.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::CanonicalMD:</div>77 Inheritance·diagram·for·BALL::CanonicalMD:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d4/d85/a05138.png"·usemap="#BALL::CanonicalMD_map"·alt=""/>80 ··<img·src="../../d4/d85/a05138.png"·usemap="#BALL::CanonicalMD_map"·alt=""/>
81 ··<map·id="BALL::CanonicalMD_map"·name="BALL::CanonicalMD_map">81 ··<map·id="BALL::CanonicalMD_map"·name="BALL::CanonicalMD_map">
82 <area·href="../../d9/dcb/a05154.html"·alt="BALL::MolecularDynamics"·shape="rect"·coords="0,0,161,24"/>82 <area·href="../../d9/dcb/a05154.html"·alt="BALL::MolecularDynamics"·shape="rect"·coords="0,0,161,24"/>
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255 <tr·class="separator:a4f0d45869d75457814945aae310a34b2·inherit·pub_attribs_a05154"><td·class="memSeparator"·colspan="2">&#160;</td></tr>255 <tr·class="separator:a4f0d45869d75457814945aae310a34b2·inherit·pub_attribs_a05154"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
256 </table>256 </table>
257 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>257 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
258 <div·class="textblock"><p·>A·MD·simulation·in·the·canoncial·ensemble.·A·class·for·doing·molecular·dynamics·simulations·<br··/>258 <div·class="textblock"><p·>A·MD·simulation·in·the·canoncial·ensemble.·A·class·for·doing·molecular·dynamics·simulations·<br··/>
259 ·according·to·the·principle·of·a·canonical·ensemble·(NVT),·i.e.,·the·temperature·is·kept·constant.·This·is·achieved·via·the·velocity·rescaling·proposed·by·Berendsen·et·al.,·J.·Chem.·Physics,·81:3684,·1984.·Note·that·this·approach·does·not·give·all·properties·of·a·true·canonical·system.·In·particular,·the·heat·capacity·cannot·be·calculated!·</p><dl·class="section·user"><dt></dt><dd>The·temperature·is·set·through·the·<a·class="el"·href="../../">MDSimulation::setReferenceTemperature</a>·method.·</dd></dl>259 ·according·to·the·principle·of·a·canonical·ensemble·(NVT),·i.e.,·the·temperature·is·kept·constant.·This·is·achieved·via·the·velocity·rescaling·proposed·by·Berendsen·et·al.,·J.·Chem.·Physics,·81:3684,·1984.·Note·that·this·approach·does·not·give·all·properties·of·a·true·canonical·system.·In·particular,·the·heat·capacity·cannot·be·calculated!·</p><dl·class="section·user"><dt></dt><dd>The·temperature·is·set·through·the·<a·class="el"·href="../../">MDSimulation::setReferenceTemperature</a>·method.·</dd></dl>
  
260 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">canonicalMD.h</a>.</p>260 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dd9/a00179_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../db/dd9/a00179_source.html">canonicalMD.h</a>.</p>
261 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>261 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
262 <a·id="afb2263f5f63bd7a3f082d79ac31510a6"·name="afb2263f5f63bd7a3f082d79ac31510a6"></a>262 <a·id="afb2263f5f63bd7a3f082d79ac31510a6"·name="afb2263f5f63bd7a3f082d79ac31510a6"></a>
263 <h2·class="memtitle"><span·class="permalink"><a·href="#afb2263f5f63bd7a3f082d79ac31510a6">&#9670;&nbsp;</a></span>CanonicalMD()·<span·class="overload">[1/5]</span></h2>263 <h2·class="memtitle"><span·class="permalink"><a·href="#afb2263f5f63bd7a3f082d79ac31510a6">&#9670;&nbsp;</a></span>CanonicalMD()·<span·class="overload">[1/5]</span></h2>
  
264 <div·class="memitem">264 <div·class="memitem">
265 <div·class="memproto">265 <div·class="memproto">
266 ······<table·class="memname">266 ······<table·class="memname">
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726 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>726 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
727 ··</tr>727 ··</tr>
728 </table>728 </table>
729 </div><div·class="memdoc">729 </div><div·class="memdoc">
  
730 <p>The·coupling·parameter·to·the·heat·bath.·</p>730 <p>The·coupling·parameter·to·the·heat·bath.·</p>
  
731 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00160">160</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">canonicalMD.h</a>.</p>731 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dd9/a00179_source.html#l00160">160</a>·of·file·<a·class="el"·href="../../db/dd9/a00179_source.html">canonicalMD.h</a>.</p>
  
732 </div>732 </div>
733 </div>733 </div>
734 <a·id="a390291c0c2f6c402683445cbf150cf86"·name="a390291c0c2f6c402683445cbf150cf86"></a>734 <a·id="a390291c0c2f6c402683445cbf150cf86"·name="a390291c0c2f6c402683445cbf150cf86"></a>
735 <h2·class="memtitle"><span·class="permalink"><a·href="#a390291c0c2f6c402683445cbf150cf86">&#9670;&nbsp;</a></span>mass_factor_</h2>735 <h2·class="memtitle"><span·class="permalink"><a·href="#a390291c0c2f6c402683445cbf150cf86">&#9670;&nbsp;</a></span>mass_factor_</h2>
  
736 <div·class="memitem">736 <div·class="memitem">
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752 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>752 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
753 ··</tr>753 ··</tr>
754 </table>754 </table>
755 </div><div·class="memdoc">755 </div><div·class="memdoc">
  
756 <p>This·vector·contains·special·precomputed·factors.·</p>756 <p>This·vector·contains·special·precomputed·factors.·</p>
  
757 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">canonicalMD.h</a>.</p>757 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dd9/a00179_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../db/dd9/a00179_source.html">canonicalMD.h</a>.</p>
  
758 </div>758 </div>
759 </div>759 </div>
760 </div><!--·contents·-->760 </div><!--·contents·-->
761 <!--·start·footer·part·-->761 <!--·start·footer·part·-->
762 <hr·class="footer"/><address·class="footer"><small>762 <hr·class="footer"/><address·class="footer"><small>
763 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4763 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../d4/def/a06811.html">List·of·all·members</a>··</div>71 <a·href="../../d4/def/a06811.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::KGreedyBondOrderStrategy::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::KGreedyBondOrderStrategy::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../da/dd1/a00629_source.html">BALL/STRUCTURE/BONDORDERS/KGreedyBondOrderStrategy.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d96/a01685_source.html">BALL/STRUCTURE/BONDORDERS/KGreedyBondOrderStrategy.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
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80 <tr·class="separator:a5197cb4ca88df7c7833e249812574673"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a5197cb4ca88df7c7833e249812574673"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock">83 <div·class="textblock">
84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd1/a00629_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../da/dd1/a00629_source.html">KGreedyBondOrderStrategy.h</a>.</p>84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d96/a01685_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../de/d96/a01685_source.html">KGreedyBondOrderStrategy.h</a>.</p>
85 </div><h2·class="groupheader">Member·Data·Documentation</h2>85 </div><h2·class="groupheader">Member·Data·Documentation</h2>
86 <a·id="a5197cb4ca88df7c7833e249812574673"·name="a5197cb4ca88df7c7833e249812574673"></a>86 <a·id="a5197cb4ca88df7c7833e249812574673"·name="a5197cb4ca88df7c7833e249812574673"></a>
87 <h2·class="memtitle"><span·class="permalink"><a·href="#a5197cb4ca88df7c7833e249812574673">&#9670;&nbsp;</a></span>GREEDY_K_SIZE</h2>87 <h2·class="memtitle"><span·class="permalink"><a·href="#a5197cb4ca88df7c7833e249812574673">&#9670;&nbsp;</a></span>GREEDY_K_SIZE</h2>
  
88 <div·class="memitem">88 <div·class="memitem">
89 <div·class="memproto">89 <div·class="memproto">
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100 ··</td>100 ··</td>
101 ··<td·class="mlabels-right">101 ··<td·class="mlabels-right">
102 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>102 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
103 ··</tr>103 ··</tr>
104 </table>104 </table>
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106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd1/a00629_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../da/dd1/a00629_source.html">KGreedyBondOrderStrategy.h</a>.</p>106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d96/a01685_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../de/d96/a01685_source.html">KGreedyBondOrderStrategy.h</a>.</p>
  
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108 </div>108 </div>
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110 <!--·start·footer·part·-->110 <!--·start·footer·part·-->
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72 <a·href="../../d8/d2a/a07403.html">List·of·all·members</a>··</div>72 <a·href="../../d8/d2a/a07403.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::TCPServerThread·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::TCPServerThread·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d1/d46/a01739_source.html">BALL/SYSTEM/networking.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dc/dce/a00740_source.html">BALL/SYSTEM/networking.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::TCPServerThread:</div>78 Inheritance·diagram·for·BALL::TCPServerThread:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d4/d87/a07406.png"·usemap="#BALL::TCPServerThread_map"·alt=""/>81 ··<img·src="../../d4/d87/a07406.png"·usemap="#BALL::TCPServerThread_map"·alt=""/>
82 ··<map·id="BALL::TCPServerThread_map"·name="BALL::TCPServerThread_map">82 ··<map·id="BALL::TCPServerThread_map"·name="BALL::TCPServerThread_map">
83 <area·href="../../dd/db0/a07402.html"·alt="BALL::TCPServer"·shape="rect"·coords="0,0,267,24"/>83 <area·href="../../dd/db0/a07402.html"·alt="BALL::TCPServer"·shape="rect"·coords="0,0,267,24"/>
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141 <tr·class="memitem:acc4a0792f3c40c7ff81093c18bd121e7·inherit·pro_attribs_a07402"><td·class="memItemLeft"·align="right"·valign="top">boost::asio::ip::tcp::acceptor&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/db0/a07402.html#acc4a0792f3c40c7ff81093c18bd121e7">acceptor_</a></td></tr>141 <tr·class="memitem:acc4a0792f3c40c7ff81093c18bd121e7·inherit·pro_attribs_a07402"><td·class="memItemLeft"·align="right"·valign="top">boost::asio::ip::tcp::acceptor&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/db0/a07402.html#acc4a0792f3c40c7ff81093c18bd121e7">acceptor_</a></td></tr>
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143 </table>143 </table>
144 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>144 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
145 <div·class="textblock"><p·>This·class·provides·a·simple·TCP·Server·running·in·its·own·<a·class="el"·href="../../dc/d88/a20007.html">QThread</a>.·</p>145 <div·class="textblock"><p·>This·class·provides·a·simple·TCP·Server·running·in·its·own·<a·class="el"·href="../../dc/d88/a20007.html">QThread</a>.·</p>
  
146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d46/a01739_source.html#l00094">94</a>·of·file·<a·class="el"·href="../../d1/d46/a01739_source.html">networking.h</a>.</p>146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00094">94</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">networking.h</a>.</p>
147 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>147 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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149 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1d140afb1fe432650d2475a4bbcd28c">&#9670;&nbsp;</a></span>TCPServerThread()</h2>149 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1d140afb1fe432650d2475a4bbcd28c">&#9670;&nbsp;</a></span>TCPServerThread()</h2>
  
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345 ··</td>345 ··</td>
346 ··<td·class="mlabels-right">346 ··<td·class="mlabels-right">
347 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>347 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
348 ··</tr>348 ··</tr>
349 </table>349 </table>
350 </div><div·class="memdoc">350 </div><div·class="memdoc">
  
351 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d46/a01739_source.html#l00112">112</a>·of·file·<a·class="el"·href="../../d1/d46/a01739_source.html">networking.h</a>.</p>351 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00112">112</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">networking.h</a>.</p>
  
352 </div>352 </div>
353 </div>353 </div>
354 <a·id="add2b92024fe1eef6dbad3581649b4412"·name="add2b92024fe1eef6dbad3581649b4412"></a>354 <a·id="add2b92024fe1eef6dbad3581649b4412"·name="add2b92024fe1eef6dbad3581649b4412"></a>
355 <h2·class="memtitle"><span·class="permalink"><a·href="#add2b92024fe1eef6dbad3581649b4412">&#9670;&nbsp;</a></span>use_async_io_</h2>355 <h2·class="memtitle"><span·class="permalink"><a·href="#add2b92024fe1eef6dbad3581649b4412">&#9670;&nbsp;</a></span>use_async_io_</h2>
  
356 <div·class="memitem">356 <div·class="memitem">
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369 ··</td>369 ··</td>
370 ··<td·class="mlabels-right">370 ··<td·class="mlabels-right">
371 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>371 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
372 ··</tr>372 ··</tr>
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375 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d46/a01739_source.html#l00111">111</a>·of·file·<a·class="el"·href="../../d1/d46/a01739_source.html">networking.h</a>.</p>375 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00111">111</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">networking.h</a>.</p>
  
376 </div>376 </div>
377 </div>377 </div>
378 </div><!--·contents·-->378 </div><!--·contents·-->
379 <!--·start·footer·part·-->379 <!--·start·footer·part·-->
380 <hr·class="footer"/><address·class="footer"><small>380 <hr·class="footer"/><address·class="footer"><small>
381 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4381 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../dd/d20/a04359.html">List·of·all·members</a>··</div>71 <a·href="../../dd/d20/a04359.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordTITLE·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordTITLE·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
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84 <tr·class="separator:a8af038fa94847ba3d1cab2161f3155cb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a8af038fa94847ba3d1cab2161f3155cb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/dbe/a01706_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
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 77 <code>#include·&lt;<a·class="el"·href="../../d6/d7d/a00161_source.html">BALL/MOLMEC/PARAMETER/residueTorsions.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../db/dab/a00089_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d3/d8b/a00059_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>
76 <code>#include·&lt;QtCore/QXmlStreamReader&gt;</code><br·/> 
77 <code>#include·&lt;QtCore/QXmlStreamWriter&gt;</code><br·/> 
78 <code>#include·&lt;QtCore/QFile&gt;</code><br·/> 
79 <code>#include·&lt;map&gt;</code><br·/> 
80 <code>#include·&lt;list&gt;</code><br·/> 
81 <code>#include·&lt;set&gt;</code><br·/> 
82 </div>80 </div>
83 <p><a·href="../../d4/d8c/a00035_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../d4/d8c/a00035_source.html">Go·to·the·source·code·of·this·file.</a></p>
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 103 <h2·class="memtitle"><span·class="permalink"><a·href="#afa806285ca09671166b3b0ae602d5bde">&#9670;&nbsp;</a></span>CHARMM_TORSIONS_ENABLED</h2>
  
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><a·class="el"·href="../../d4/d8c/a07234.html"·title="Property·struct·of·smarts·parser·atom.">Property</a>·struct·of·smarts·parser·atom.··74 <p><a·class="el"·href="../../d4/d8c/a07234.html"·title="Property·struct·of·smarts·parser·atom.">Property</a>·struct·of·smarts·parser·atom.··
75 ·<a·href="../../d4/d8c/a07234.html#details">More...</a></p>75 ·<a·href="../../d4/d8c/a07234.html#details">More...</a></p>
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d8/d73/a00674_source.html">BALL/STRUCTURE/smartsParser.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../df/d21/a01778_source.html">BALL/STRUCTURE/smartsParser.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·desctructors</div></td></tr>80 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·desctructors</div></td></tr>
81 <tr·class="memitem:a9648f133af1dc5bbf86815fc6d6cf82a"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d8c/a07234.html#a9648f133af1dc5bbf86815fc6d6cf82a">Property</a>·(<a·class="el"·href="../../d8/dd4/a07226.html#a6479e1e3075b48b1a63088373cf81b2d">PropertyType</a>·type,·int·value)</td></tr>81 <tr·class="memitem:a9648f133af1dc5bbf86815fc6d6cf82a"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d8c/a07234.html#a9648f133af1dc5bbf86815fc6d6cf82a">Property</a>·(<a·class="el"·href="../../d8/dd4/a07226.html#a6479e1e3075b48b1a63088373cf81b2d">PropertyType</a>·type,·int·value)</td></tr>
82 <tr·class="memdesc:a9648f133af1dc5bbf86815fc6d6cf82a"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Detailed·constructor·with·type·and·int·value.··<a·href="../../d4/d8c/a07234.html#a9648f133af1dc5bbf86815fc6d6cf82a">More...</a><br·/></td></tr>82 <tr·class="memdesc:a9648f133af1dc5bbf86815fc6d6cf82a"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Detailed·constructor·with·type·and·int·value.··<a·href="../../d4/d8c/a07234.html#a9648f133af1dc5bbf86815fc6d6cf82a">More...</a><br·/></td></tr>
83 <tr·class="separator:a9648f133af1dc5bbf86815fc6d6cf82a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:a9648f133af1dc5bbf86815fc6d6cf82a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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106 <tr·class="memitem:a9c7966506118f2c4d00edeba095fb259"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/da4/a07230.html">PropertyValue</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d8c/a07234.html#a9c7966506118f2c4d00edeba095fb259">getValue</a>·()·const</td></tr>106 <tr·class="memitem:a9c7966506118f2c4d00edeba095fb259"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/da4/a07230.html">PropertyValue</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d8c/a07234.html#a9c7966506118f2c4d00edeba095fb259">getValue</a>·()·const</td></tr>
107 <tr·class="memdesc:a9c7966506118f2c4d00edeba095fb259"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">returns·the·value·of·the·property··<a·href="../../d4/d8c/a07234.html#a9c7966506118f2c4d00edeba095fb259">More...</a><br·/></td></tr>107 <tr·class="memdesc:a9c7966506118f2c4d00edeba095fb259"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">returns·the·value·of·the·property··<a·href="../../d4/d8c/a07234.html#a9c7966506118f2c4d00edeba095fb259">More...</a><br·/></td></tr>
108 <tr·class="separator:a9c7966506118f2c4d00edeba095fb259"><td·class="memSeparator"·colspan="2">&#160;</td></tr>108 <tr·class="separator:a9c7966506118f2c4d00edeba095fb259"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
109 </table>109 </table>
110 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>110 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
111 <div·class="textblock"><p·><a·class="el"·href="../../d4/d8c/a07234.html"·title="Property·struct·of·smarts·parser·atom.">Property</a>·struct·of·smarts·parser·atom.·</p>111 <div·class="textblock"><p·><a·class="el"·href="../../d4/d8c/a07234.html"·title="Property·struct·of·smarts·parser·atom.">Property</a>·struct·of·smarts·parser·atom.·</p>
  
112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d73/a00674_source.html#l00222">222</a>·of·file·<a·class="el"·href="../../d8/d73/a00674_source.html">smartsParser.h</a>.</p>112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00222">222</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
113 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>113 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
114 <a·id="a9648f133af1dc5bbf86815fc6d6cf82a"·name="a9648f133af1dc5bbf86815fc6d6cf82a"></a>114 <a·id="a9648f133af1dc5bbf86815fc6d6cf82a"·name="a9648f133af1dc5bbf86815fc6d6cf82a"></a>
115 <h2·class="memtitle"><span·class="permalink"><a·href="#a9648f133af1dc5bbf86815fc6d6cf82a">&#9670;&nbsp;</a></span>Property()·<span·class="overload">[1/4]</span></h2>115 <h2·class="memtitle"><span·class="permalink"><a·href="#a9648f133af1dc5bbf86815fc6d6cf82a">&#9670;&nbsp;</a></span>Property()·<span·class="overload">[1/4]</span></h2>
  
116 <div·class="memitem">116 <div·class="memitem">
117 <div·class="memproto">117 <div·class="memproto">
118 ······<table·class="memname">118 ······<table·class="memname">
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281 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>281 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
282 ··</tr>282 ··</tr>
283 </table>283 </table>
284 </div><div·class="memdoc">284 </div><div·class="memdoc">
  
285 <p>returns·the·type·of·the·property·</p>285 <p>returns·the·type·of·the·property·</p>
  
286 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d73/a00674_source.html#l00252">252</a>·of·file·<a·class="el"·href="../../d8/d73/a00674_source.html">smartsParser.h</a>.</p>286 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00252">252</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
  
287 </div>287 </div>
288 </div>288 </div>
289 <a·id="a9c7966506118f2c4d00edeba095fb259"·name="a9c7966506118f2c4d00edeba095fb259"></a>289 <a·id="a9c7966506118f2c4d00edeba095fb259"·name="a9c7966506118f2c4d00edeba095fb259"></a>
290 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c7966506118f2c4d00edeba095fb259">&#9670;&nbsp;</a></span>getValue()</h2>290 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c7966506118f2c4d00edeba095fb259">&#9670;&nbsp;</a></span>getValue()</h2>
  
291 <div·class="memitem">291 <div·class="memitem">
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310 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>310 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
311 ··</tr>311 ··</tr>
312 </table>312 </table>
313 </div><div·class="memdoc">313 </div><div·class="memdoc">
  
314 <p>returns·the·value·of·the·property·</p>314 <p>returns·the·value·of·the·property·</p>
  
315 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d73/a00674_source.html#l00255">255</a>·of·file·<a·class="el"·href="../../d8/d73/a00674_source.html">smartsParser.h</a>.</p>315 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00255">255</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
  
316 </div>316 </div>
317 </div>317 </div>
318 <a·id="add0bd0fa70fffbb74205f41017deb10f"·name="add0bd0fa70fffbb74205f41017deb10f"></a>318 <a·id="add0bd0fa70fffbb74205f41017deb10f"·name="add0bd0fa70fffbb74205f41017deb10f"></a>
319 <h2·class="memtitle"><span·class="permalink"><a·href="#add0bd0fa70fffbb74205f41017deb10f">&#9670;&nbsp;</a></span>operator=()</h2>319 <h2·class="memtitle"><span·class="permalink"><a·href="#add0bd0fa70fffbb74205f41017deb10f">&#9670;&nbsp;</a></span>operator=()</h2>
  
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../de/dfe/a07831.html">List·of·all·members</a>··</div>70 <a·href="../../de/dfe/a07831.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GenericSelectionMessage·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GenericSelectionMessage·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d0/d39/a01112_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::GenericSelectionMessage:</div>76 Inheritance·diagram·for·BALL::VIEW::GenericSelectionMessage:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d4/d8e/a07834.png"·usemap="#BALL::VIEW::GenericSelectionMessage_map"·alt=""/>79 ··<img·src="../../d4/d8e/a07834.png"·usemap="#BALL::VIEW::GenericSelectionMessage_map"·alt=""/>
80 ··<map·id="BALL::VIEW::GenericSelectionMessage_map"·name="BALL::VIEW::GenericSelectionMessage_map">80 ··<map·id="BALL::VIEW::GenericSelectionMessage_map"·name="BALL::VIEW::GenericSelectionMessage_map">
81 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,234,24"/>81 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,234,24"/>
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118 <tr·class="separator:abcbea4bd420941506a7960818ddcb3ef"><td·class="memSeparator"·colspan="2">&#160;</td></tr>118 <tr·class="separator:abcbea4bd420941506a7960818ddcb3ef"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
119 <tr·class="memitem:a371536b9ca83dd9c8b7146ce9c1eb6ed"><td·class="memItemLeft"·align="right"·valign="top">std::list&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·*·&gt;·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d8e/a07834.html#a371536b9ca83dd9c8b7146ce9c1eb6ed">getSelection</a>·()</td></tr>119 <tr·class="memitem:a371536b9ca83dd9c8b7146ce9c1eb6ed"><td·class="memItemLeft"·align="right"·valign="top">std::list&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·*·&gt;·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d8e/a07834.html#a371536b9ca83dd9c8b7146ce9c1eb6ed">getSelection</a>·()</td></tr>
120 <tr·class="separator:a371536b9ca83dd9c8b7146ce9c1eb6ed"><td·class="memSeparator"·colspan="2">&#160;</td></tr>120 <tr·class="separator:a371536b9ca83dd9c8b7146ce9c1eb6ed"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
121 </table>121 </table>
122 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>122 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
123 <div·class="textblock"><p·><a·class="el"·href="../../d4/d8e/a07834.html">GenericSelectionMessage</a>·class.·<a·class="el"·href="../../d4/d8e/a07834.html">GenericSelectionMessage</a>·is·a·container·for·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects·that·are·somehow·selected.·It·will·be·sent·by·existing·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·objects·that·collect·Composites·objects·for·a·certain·purpose.·</p>123 <div·class="textblock"><p·><a·class="el"·href="../../d4/d8e/a07834.html">GenericSelectionMessage</a>·class.·<a·class="el"·href="../../d4/d8e/a07834.html">GenericSelectionMessage</a>·is·a·container·for·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects·that·are·somehow·selected.·It·will·be·sent·by·existing·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·objects·that·collect·Composites·objects·for·a·certain·purpose.·</p>
  
124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00433">433</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00433">433</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
125 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>125 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
126 <a·id="a6bf010b0130b40c1d8f1f7cb2d049482"·name="a6bf010b0130b40c1d8f1f7cb2d049482"></a>126 <a·id="a6bf010b0130b40c1d8f1f7cb2d049482"·name="a6bf010b0130b40c1d8f1f7cb2d049482"></a>
127 <h2·class="memtitle"><span·class="permalink"><a·href="#a6bf010b0130b40c1d8f1f7cb2d049482">&#9670;&nbsp;</a></span>GenericSelectionMessage()·<span·class="overload">[1/2]</span></h2>127 <h2·class="memtitle"><span·class="permalink"><a·href="#a6bf010b0130b40c1d8f1f7cb2d049482">&#9670;&nbsp;</a></span>GenericSelectionMessage()·<span·class="overload">[1/2]</span></h2>
  
128 <div·class="memitem">128 <div·class="memitem">
129 <div·class="memproto">129 <div·class="memproto">
130 ······<table·class="memname">130 ······<table·class="memname">
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4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>
5 <meta·http-equiv="X-UA-Compatible"·content="IE=11"/>5 <meta·http-equiv="X-UA-Compatible"·content="IE=11"/>
6 <meta·name="generator"·content="Doxygen·1.9.4"/>6 <meta·name="generator"·content="Doxygen·1.9.4"/>
7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·connectivityDescriptors.h·File·Reference</title>8 <title>BALL:·solventDescriptor.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
59 ········name="MSearchResults"·id="MSearchResults">59 ········name="MSearchResults"·id="MSearchResults">
60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">connectivityDescriptors.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">solventDescriptor.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d14/a02066_source.html">BALL/QSAR/connectivityBase.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
75 </div>76 </div>
76 <p><a·href="../../d4/d93/a01955_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d4/d93/a01955_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">78 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>80 Classes</h2></td></tr>
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68 ··<div·class="summary">68 ··<div·class="summary">
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69 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
70 <a·href="#func-members">Functions</a>··</div> 
71 ··<div·class="headertitle"><div·class="title">atomicContactEnergy.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">parameters.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dd3/a00902_source.html">BALL/FORMAT/INIFile.h</a>&gt;</code><br·/>
75 </div>75 </div>
76 <p><a·href="../../d4/d95/a00989_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d4/d95/a00989_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
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78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
79 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
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82 </table><table·class="memberdecls"> 
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
84 Functions</h2></td></tr> 
85 <tr·class="memitem:ga8cb2233419a5e4c9e52e1d1ac34e1c7e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d13/a02139.html#ga8cb2233419a5e4c9e52e1d1ac34e1c7e">BALL::calculateACE</a>·(const·AtomContainer·&amp;atom_container,·const·string·&amp;type_filename=&quot;energy/ACE_types.dat&quot;,·const·string·&amp;parameter_filename=&quot;energy/ACE_parameters.dat&quot;)</td></tr> 
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d6/d64/a05779.html">List·of·all·members</a>··</div>70 <a·href="../../d6/d64/a05779.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::NBModel·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::NBModel·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d2/d8a/a02063_source.html">BALL/QSAR/nBModel.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d6/d80/a00371_source.html">BALL/QSAR/nBModel.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::QSAR::NBModel:</div>76 Inheritance·diagram·for·BALL::QSAR::NBModel:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d4/d98/a05782.png"·usemap="#BALL::QSAR::NBModel_map"·alt=""/>79 ··<img·src="../../d4/d98/a05782.png"·usemap="#BALL::QSAR::NBModel_map"·alt=""/>
80 ··<map·id="BALL::QSAR::NBModel_map"·name="BALL::QSAR::NBModel_map">80 ··<map·id="BALL::QSAR::NBModel_map"·name="BALL::QSAR::NBModel_map">
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259 </table>259 </table>
260 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>260 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
261 <div·class="textblock"><p·>class·for·Naive·Bayes·</p>261 <div·class="textblock"><p·>class·for·Naive·Bayes·</p>
  
262 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d8a/a02063_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d2/d8a/a02063_source.html">nBModel.h</a>.</p>262 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d80/a00371_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d6/d80/a00371_source.html">nBModel.h</a>.</p>
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71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ElementColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ElementColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d1/d35/a01184_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::ElementColorProcessor:</div>76 Inheritance·diagram·for·BALL::VIEW::ElementColorProcessor:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d4/d98/a08074.png"·usemap="#BALL::VIEW::ElementColorProcessor_map"·alt=""/>79 ··<img·src="../../d4/d98/a08074.png"·usemap="#BALL::VIEW::ElementColorProcessor_map"·alt=""/>
80 ··<map·id="BALL::VIEW::ElementColorProcessor_map"·name="BALL::VIEW::ElementColorProcessor_map">80 ··<map·id="BALL::VIEW::ElementColorProcessor_map"·name="BALL::VIEW::ElementColorProcessor_map">
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218 </table>218 </table>
219 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>219 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
220 <div·class="textblock"><p·><a·class="el"·href="../../d4/d98/a08074.html">ElementColorProcessor</a>·class.·The·class·<a·class="el"·href="../../d4/d98/a08074.html">ElementColorProcessor</a>·is·derived·from·the·class·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor</a>.·It·is·used·for·calculating·element·colors·of·a·given·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object.·In·the·constructor·a·<a·class="el"·href="../../d2/d57/a07458.html">ColorMap</a>,·that·contains·all·colors·corresponding·to·the·element·symbols·of·atoms,·is·initialised.·The·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor</a>·can·be·set·in·the·class·<a·class="el"·href="../../da/dde/a07566.html">DisplayProperties</a>·to·color·an·entire·molecular·object·in·its·element·colors.·</p>220 <div·class="textblock"><p·><a·class="el"·href="../../d4/d98/a08074.html">ElementColorProcessor</a>·class.·The·class·<a·class="el"·href="../../d4/d98/a08074.html">ElementColorProcessor</a>·is·derived·from·the·class·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor</a>.·It·is·used·for·calculating·element·colors·of·a·given·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object.·In·the·constructor·a·<a·class="el"·href="../../d2/d57/a07458.html">ColorMap</a>,·that·contains·all·colors·corresponding·to·the·element·symbols·of·atoms,·is·initialised.·The·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor</a>·can·be·set·in·the·class·<a·class="el"·href="../../da/dde/a07566.html">DisplayProperties</a>·to·color·an·entire·molecular·object·in·its·element·colors.·</p>
  
221 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>221 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
222 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>222 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
223 <a·id="a391ba3be9a1b8038ae293a863b21f053"·name="a391ba3be9a1b8038ae293a863b21f053"></a>223 <a·id="a391ba3be9a1b8038ae293a863b21f053"·name="a391ba3be9a1b8038ae293a863b21f053"></a>
224 <h2·class="memtitle"><span·class="permalink"><a·href="#a391ba3be9a1b8038ae293a863b21f053">&#9670;&nbsp;</a></span>ElementColorProcessor()</h2>224 <h2·class="memtitle"><span·class="permalink"><a·href="#a391ba3be9a1b8038ae293a863b21f053">&#9670;&nbsp;</a></span>ElementColorProcessor()</h2>
  
225 <div·class="memitem">225 <div·class="memitem">
226 <div·class="memproto">226 <div·class="memproto">
227 ······<table·class="memname">227 ······<table·class="memname">
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298 ··</td>298 ··</td>
299 ··<td·class="mlabels-right">299 ··<td·class="mlabels-right">
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301 ··</tr>301 ··</tr>
302 </table>302 </table>
303 </div><div·class="memdoc">303 </div><div·class="memdoc">
  
304 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>304 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
305 </div>305 </div>
306 </div>306 </div>
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308 <h2·class="memtitle"><span·class="permalink"><a·href="#a549cacf9ed9d98ecf2095d947daf2cb0">&#9670;&nbsp;</a></span>getColorMap()·<span·class="overload">[2/2]</span></h2>308 <h2·class="memtitle"><span·class="permalink"><a·href="#a549cacf9ed9d98ecf2095d947daf2cb0">&#9670;&nbsp;</a></span>getColorMap()·<span·class="overload">[2/2]</span></h2>
  
309 <div·class="memitem">309 <div·class="memitem">
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325 ··</td>325 ··</td>
326 ··<td·class="mlabels-right">326 ··<td·class="mlabels-right">
327 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>327 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
328 ··</tr>328 ··</tr>
329 </table>329 </table>
330 </div><div·class="memdoc">330 </div><div·class="memdoc">
  
331 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>331 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
332 </div>332 </div>
333 </div>333 </div>
334 <a·id="a2ddd048847cd8304286d53e6cf05390a"·name="a2ddd048847cd8304286d53e6cf05390a"></a>334 <a·id="a2ddd048847cd8304286d53e6cf05390a"·name="a2ddd048847cd8304286d53e6cf05390a"></a>
335 <h2·class="memtitle"><span·class="permalink"><a·href="#a2ddd048847cd8304286d53e6cf05390a">&#9670;&nbsp;</a></span>setTransparency()</h2>335 <h2·class="memtitle"><span·class="permalink"><a·href="#a2ddd048847cd8304286d53e6cf05390a">&#9670;&nbsp;</a></span>setTransparency()</h2>
  
336 <div·class="memitem">336 <div·class="memitem">
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379 ··</td>379 ··</td>
380 ··<td·class="mlabels-right">380 ··<td·class="mlabels-right">
381 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>381 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
382 ··</tr>382 ··</tr>
383 </table>383 </table>
384 </div><div·class="memdoc">384 </div><div·class="memdoc">
  
385 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>385 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">textPersistenceManager.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">randomCoilShiftProcessor.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d49/a01643_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
75 </div>76 </div>
76 <p><a·href="../../d4/d99/a01634_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d4/d99/a01634_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">78 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>80 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dcb/a03370.html">BALL::TextPersistenceManager</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d79/a05522.html">BALL::RandomCoilShiftProcessor</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">83 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
84 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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8 <title>BALL:·peptideCapProcessor.h·File·Reference</title>8 <title>BALL:·hashSet.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">peptideCapProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">hashSet.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d6/dfa/a00626_source.html">BALL/COMMON/hash.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d3/d13/a00836_source.html">BALL/CONCEPT/forwardIterator.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d7/d82/a01601_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../df/d0e/a00800_source.html">BALL/CONCEPT/visitor.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../de/d98/a20341_source.html">BALL/DATATYPE/forEach.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d3/dbe/a20359_source.html">BALL/CONCEPT/predicate.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>80 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
 81 <code>#include·&lt;algorithm&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../df/d15/a00416_source.html">BALL/KERNEL/residue.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d8/d91/a00410_source.html">BALL/KERNEL/chain.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../d2/d94/a00716_source.html">BALL/STRUCTURE/atomBijection.h</a>&gt;</code><br·/> 
80 </div>82 </div>
81 <p><a·href="../../d4/d9b/a00680_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d4/d9b/a00680_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls">84 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
84 Classes</h2></td></tr>86 Classes</h2></td></tr>
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d66/a07010.html">BALL::PeptideCapProcessor</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d8b/a03538.html">BALL::HashSet&lt;·Key·&gt;</a></td></tr>
86 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">This·processor·adds·ACE-N·and·NME-C·caps·to·proteins.··<a·href="../../db/d66/a07010.html#details">More...</a><br·/></td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d5e/a03542.html">BALL::HashSet&lt;·Key·&gt;::Node</a></td></tr>
 90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d96/a03546.html">BALL::HashSet&lt;·Key·&gt;::IteratorTraits</a></td></tr>
 92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dab/a03550.html">BALL::HashSet&lt;·Key·&gt;::IllegalKey</a></td></tr>
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90 Namespaces</h2></td></tr>97 Namespaces</h2></td></tr>
91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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61 </div>61 </div>
  
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63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">descriptor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">vanDerWaals.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d87/a00032_source.html">BALL/MOLMEC/AMBER/amberNonBonded.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d7/d00/a00401_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/> 
76 </div>75 </div>
77 <p><a·href="../../d4/d9b/a02039_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d4/d9b/a02039_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">77 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>79 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d64/a05666.html">BALL::Descriptor</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d89/a06366.html">BALL::VanDerWaals</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
85 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d7/dcf/a07411.html">List·of·all·members</a>··</div>71 <a·href="../../d7/dcf/a07411.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::SimpleDownloader·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SimpleDownloader·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d8/d9c/a01733_source.html">BALL/SYSTEM/simpleDownloader.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/SYSTEM/simpleDownloader.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::SimpleDownloader:</div>77 Inheritance·diagram·for·BALL::SimpleDownloader:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d4/da1/a07414.png"·usemap="#BALL::SimpleDownloader_map"·alt=""/>80 ··<img·src="../../d4/da1/a07414.png"·usemap="#BALL::SimpleDownloader_map"·alt=""/>
81 ··<map·id="BALL::SimpleDownloader_map"·name="BALL::SimpleDownloader_map">81 ··<map·id="BALL::SimpleDownloader_map"·name="BALL::SimpleDownloader_map">
82 <area·href="../../dc/d45/a20003.html"·alt="QObject"·shape="rect"·coords="0,0,154,24"/>82 <area·href="../../dc/d45/a20003.html"·alt="QObject"·shape="rect"·coords="0,0,154,24"/>
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111 <tr·class="memitem:a6b1e2680186dc517379a177ce65a5444"><td·class="memItemLeft"·align="right"·valign="top">const·QUrl·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/da1/a07414.html#a6b1e2680186dc517379a177ce65a5444">getURL</a>·()·const</td></tr>111 <tr·class="memitem:a6b1e2680186dc517379a177ce65a5444"><td·class="memItemLeft"·align="right"·valign="top">const·QUrl·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/da1/a07414.html#a6b1e2680186dc517379a177ce65a5444">getURL</a>·()·const</td></tr>
112 <tr·class="separator:a6b1e2680186dc517379a177ce65a5444"><td·class="memSeparator"·colspan="2">&#160;</td></tr>112 <tr·class="separator:a6b1e2680186dc517379a177ce65a5444"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
113 </table>113 </table>
114 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>114 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
115 <div·class="textblock"><p·>This·class·provides·an·interface·for·synchronous·downloads.·It·currently·relies·on·QNetworkAccessManager·and·thus·on·the·existence·of·a·QCoreApplication·object.·If·no·global·instance·is·existing·a·local·application·object·is·created.·For·this·reason·you·must·not·use·this·class·in·any·thread·but·the·main·thread·if·you·did·not·create·a·QCoreApplication·object·yourself.</p>115 <div·class="textblock"><p·>This·class·provides·an·interface·for·synchronous·downloads.·It·currently·relies·on·QNetworkAccessManager·and·thus·on·the·existence·of·a·QCoreApplication·object.·If·no·global·instance·is·existing·a·local·application·object·is·created.·For·this·reason·you·must·not·use·this·class·in·any·thread·but·the·main·thread·if·you·did·not·create·a·QCoreApplication·object·yourself.</p>
116 <p·>REMARK:·this·class·is·considered·experimental·and·its·interface·can·be·a·subject·to·redesign.·</p>116 <p·>REMARK:·this·class·is·considered·experimental·and·its·interface·can·be·a·subject·to·redesign.·</p>
  
117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d9c/a01733_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d8/d9c/a01733_source.html">simpleDownloader.h</a>.</p>117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5c/a00752_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../dd/d5c/a00752_source.html">simpleDownloader.h</a>.</p>
118 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>118 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
119 <a·id="afe6f0c97e8182f0f794a6b4f596132b8"·name="afe6f0c97e8182f0f794a6b4f596132b8"></a>119 <a·id="afe6f0c97e8182f0f794a6b4f596132b8"·name="afe6f0c97e8182f0f794a6b4f596132b8"></a>
120 <h2·class="memtitle"><span·class="permalink"><a·href="#afe6f0c97e8182f0f794a6b4f596132b8">&#9670;&nbsp;</a></span>SimpleDownloader()·<span·class="overload">[1/2]</span></h2>120 <h2·class="memtitle"><span·class="permalink"><a·href="#afe6f0c97e8182f0f794a6b4f596132b8">&#9670;&nbsp;</a></span>SimpleDownloader()·<span·class="overload">[1/2]</span></h2>
  
121 <div·class="memitem">121 <div·class="memitem">
122 <div·class="memproto">122 <div·class="memproto">
123 ······<table·class="memname">123 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../d1/dc1/a04099.html">List·of·all·members</a>··</div>71 <a·href="../../d1/dc1/a04099.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordUNKNOWN·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordUNKNOWN·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:aceacf01fa353f1f7b67b513c74068bcb"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/da2/a04102.html#aceacf01fa353f1f7b67b513c74068bcb">max_record_size</a>·[<a·class="el"·href="../../d3/d10/a02226.html#a3cc4c5ced2c08ff10cbefafa91b5635ea4a487f6b3bbc444fb29fcbad215dc5eb">SIZE_OF_PDB_RECORD_LINE</a>]</td></tr>79 <tr·class="memitem:aceacf01fa353f1f7b67b513c74068bcb"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/da2/a04102.html#aceacf01fa353f1f7b67b513c74068bcb">max_record_size</a>·[<a·class="el"·href="../../d3/d10/a02226.html#a3cc4c5ced2c08ff10cbefafa91b5635ea4a487f6b3bbc444fb29fcbad215dc5eb">SIZE_OF_PDB_RECORD_LINE</a>]</td></tr>
80 <tr·class="separator:aceacf01fa353f1f7b67b513c74068bcb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:aceacf01fa353f1f7b67b513c74068bcb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 </table>81 </table>
82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock">83 <div·class="textblock">
84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00368">368</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00368">368</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
85 </div><h2·class="groupheader">Member·Data·Documentation</h2>85 </div><h2·class="groupheader">Member·Data·Documentation</h2>
86 <a·id="aceacf01fa353f1f7b67b513c74068bcb"·name="aceacf01fa353f1f7b67b513c74068bcb"></a>86 <a·id="aceacf01fa353f1f7b67b513c74068bcb"·name="aceacf01fa353f1f7b67b513c74068bcb"></a>
87 <h2·class="memtitle"><span·class="permalink"><a·href="#aceacf01fa353f1f7b67b513c74068bcb">&#9670;&nbsp;</a></span>max_record_size</h2>87 <h2·class="memtitle"><span·class="permalink"><a·href="#aceacf01fa353f1f7b67b513c74068bcb">&#9670;&nbsp;</a></span>max_record_size</h2>
  
88 <div·class="memitem">88 <div·class="memitem">
89 <div·class="memproto">89 <div·class="memproto">
90 ······<table·class="memname">90 ······<table·class="memname">
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92 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>·BALL::PDB::RecordUNKNOWN::max_record_size[<a·class="el"·href="../../d3/d10/a02226.html#a3cc4c5ced2c08ff10cbefafa91b5635ea4a487f6b3bbc444fb29fcbad215dc5eb">SIZE_OF_PDB_RECORD_LINE</a>]</td>92 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>·BALL::PDB::RecordUNKNOWN::max_record_size[<a·class="el"·href="../../d3/d10/a02226.html#a3cc4c5ced2c08ff10cbefafa91b5635ea4a487f6b3bbc444fb29fcbad215dc5eb">SIZE_OF_PDB_RECORD_LINE</a>]</td>
93 ········</tr>93 ········</tr>
94 ······</table>94 ······</table>
95 </div><div·class="memdoc">95 </div><div·class="memdoc">
  
96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00370">370</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00370">370</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
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102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../dc/d4f/a06619.html">List·of·all·members</a>··</div>71 <a·href="../../dc/d4f/a06619.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::UhligCavFreeEnergyProcessor::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::UhligCavFreeEnergyProcessor::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/d0d/a01748_source.html">BALL/SOLVATION/uhligCavFreeEnergyProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/da9/a01934_source.html">BALL/SOLVATION/uhligCavFreeEnergyProcessor.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:ad1cec32c3ad538f9b39ec322440b04fc"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dab/a06622.html#ad1cec32c3ad538f9b39ec322440b04fc">VERBOSITY</a></td></tr>79 <tr·class="memitem:ad1cec32c3ad538f9b39ec322440b04fc"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dab/a06622.html#ad1cec32c3ad538f9b39ec322440b04fc">VERBOSITY</a></td></tr>
80 <tr·class="separator:ad1cec32c3ad538f9b39ec322440b04fc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:ad1cec32c3ad538f9b39ec322440b04fc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:ac6bd9799d8e88fa95ec1cbf7cc003978"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dab/a06622.html#ac6bd9799d8e88fa95ec1cbf7cc003978">PROBE_RADIUS</a></td></tr>81 <tr·class="memitem:ac6bd9799d8e88fa95ec1cbf7cc003978"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dab/a06622.html#ac6bd9799d8e88fa95ec1cbf7cc003978">PROBE_RADIUS</a></td></tr>
82 <tr·class="separator:ac6bd9799d8e88fa95ec1cbf7cc003978"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:ac6bd9799d8e88fa95ec1cbf7cc003978"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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85 <tr·class="separator:ae135f9c1cbba6eb251e91c942aadffd2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>85 <tr·class="separator:ae135f9c1cbba6eb251e91c942aadffd2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
86 <tr·class="memitem:a3eafd2ed77f5ac83c35a4e76ed6d0229"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dab/a06622.html#a3eafd2ed77f5ac83c35a4e76ed6d0229">CONSTANT</a></td></tr>86 <tr·class="memitem:a3eafd2ed77f5ac83c35a4e76ed6d0229"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dab/a06622.html#a3eafd2ed77f5ac83c35a4e76ed6d0229">CONSTANT</a></td></tr>
87 <tr·class="separator:a3eafd2ed77f5ac83c35a4e76ed6d0229"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a3eafd2ed77f5ac83c35a4e76ed6d0229"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock"><p·>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../db/d03/a06618.html#acafee5b8205f345c769e8f314e4208dd">UhligCavFreeEnergyProcessor::options</a>.·</p>90 <div·class="textblock"><p·>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../db/d03/a06618.html#acafee5b8205f345c769e8f314e4208dd">UhligCavFreeEnergyProcessor::options</a>.·</p>
  
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d0d/a01748_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../d9/d0d/a01748_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/da9/a01934_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../de/da9/a01934_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>
92 </div><h2·class="groupheader">Member·Data·Documentation</h2>92 </div><h2·class="groupheader">Member·Data·Documentation</h2>
93 <a·id="a3eafd2ed77f5ac83c35a4e76ed6d0229"·name="a3eafd2ed77f5ac83c35a4e76ed6d0229"></a>93 <a·id="a3eafd2ed77f5ac83c35a4e76ed6d0229"·name="a3eafd2ed77f5ac83c35a4e76ed6d0229"></a>
94 <h2·class="memtitle"><span·class="permalink"><a·href="#a3eafd2ed77f5ac83c35a4e76ed6d0229">&#9670;&nbsp;</a></span>CONSTANT</h2>94 <h2·class="memtitle"><span·class="permalink"><a·href="#a3eafd2ed77f5ac83c35a4e76ed6d0229">&#9670;&nbsp;</a></span>CONSTANT</h2>
  
95 <div·class="memitem">95 <div·class="memitem">
96 <div·class="memproto">96 <div·class="memproto">
97 <table·class="mlabels">97 <table·class="mlabels">
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114 <dl·class="params"><dt>Parameters</dt><dd>114 <dl·class="params"><dt>Parameters</dt><dd>
115 ··<table·class="params">115 ··<table·class="params">
116 ····<tr><td·class="paramname">constant</td><td>float;·</td></tr>116 ····<tr><td·class="paramname">constant</td><td>float;·</td></tr>
117 ··</table>117 ··</table>
118 ··</dd>118 ··</dd>
119 </dl>119 </dl>
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d0d/a01748_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d9/d0d/a01748_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/da9/a01934_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../de/da9/a01934_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>
  
121 </div>121 </div>
122 </div>122 </div>
123 <a·id="ac6bd9799d8e88fa95ec1cbf7cc003978"·name="ac6bd9799d8e88fa95ec1cbf7cc003978"></a>123 <a·id="ac6bd9799d8e88fa95ec1cbf7cc003978"·name="ac6bd9799d8e88fa95ec1cbf7cc003978"></a>
124 <h2·class="memtitle"><span·class="permalink"><a·href="#ac6bd9799d8e88fa95ec1cbf7cc003978">&#9670;&nbsp;</a></span>PROBE_RADIUS</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#ac6bd9799d8e88fa95ec1cbf7cc003978">&#9670;&nbsp;</a></span>PROBE_RADIUS</h2>
  
125 <div·class="memitem">125 <div·class="memitem">
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145 <dl·class="params"><dt>Parameters</dt><dd>145 <dl·class="params"><dt>Parameters</dt><dd>
146 ··<table·class="params">146 ··<table·class="params">
147 ····<tr><td·class="paramname">probe_radius</td><td>float;·</td></tr>147 ····<tr><td·class="paramname">probe_radius</td><td>float;·</td></tr>
148 ··</table>148 ··</table>
149 ··</dd>149 ··</dd>
150 </dl>150 </dl>
  
151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d0d/a01748_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d9/d0d/a01748_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/da9/a01934_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../de/da9/a01934_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>
  
152 </div>152 </div>
153 </div>153 </div>
154 <a·id="ae135f9c1cbba6eb251e91c942aadffd2"·name="ae135f9c1cbba6eb251e91c942aadffd2"></a>154 <a·id="ae135f9c1cbba6eb251e91c942aadffd2"·name="ae135f9c1cbba6eb251e91c942aadffd2"></a>
155 <h2·class="memtitle"><span·class="permalink"><a·href="#ae135f9c1cbba6eb251e91c942aadffd2">&#9670;&nbsp;</a></span>SURFACE_TENSION</h2>155 <h2·class="memtitle"><span·class="permalink"><a·href="#ae135f9c1cbba6eb251e91c942aadffd2">&#9670;&nbsp;</a></span>SURFACE_TENSION</h2>
  
156 <div·class="memitem">156 <div·class="memitem">
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176 <dl·class="params"><dt>Parameters</dt><dd>176 <dl·class="params"><dt>Parameters</dt><dd>
177 ··<table·class="params">177 ··<table·class="params">
178 ····<tr><td·class="paramname">surface_tension</td><td>float;·</td></tr>178 ····<tr><td·class="paramname">surface_tension</td><td>float;·</td></tr>
179 ··</table>179 ··</table>
180 ··</dd>180 ··</dd>
181 </dl>181 </dl>
  
182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d0d/a01748_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d9/d0d/a01748_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/da9/a01934_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../de/da9/a01934_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>
  
183 </div>183 </div>
184 </div>184 </div>
185 <a·id="ad1cec32c3ad538f9b39ec322440b04fc"·name="ad1cec32c3ad538f9b39ec322440b04fc"></a>185 <a·id="ad1cec32c3ad538f9b39ec322440b04fc"·name="ad1cec32c3ad538f9b39ec322440b04fc"></a>
186 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1cec32c3ad538f9b39ec322440b04fc">&#9670;&nbsp;</a></span>VERBOSITY</h2>186 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1cec32c3ad538f9b39ec322440b04fc">&#9670;&nbsp;</a></span>VERBOSITY</h2>
  
187 <div·class="memitem">187 <div·class="memitem">
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207 <dl·class="params"><dt>Parameters</dt><dd>207 <dl·class="params"><dt>Parameters</dt><dd>
208 ··<table·class="params">208 ··<table·class="params">
209 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>209 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>
210 ··</table>210 ··</table>
211 ··</dd>211 ··</dd>
212 </dl>212 </dl>
  
213 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d0d/a01748_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d9/d0d/a01748_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>213 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/da9/a01934_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../de/da9/a01934_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>
  
214 </div>214 </div>
215 </div>215 </div>
216 </div><!--·contents·-->216 </div><!--·contents·-->
217 <!--·start·footer·part·-->217 <!--·start·footer·part·-->
218 <hr·class="footer"/><address·class="footer"><small>218 <hr·class="footer"/><address·class="footer"><small>
219 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4219 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d4/dcf/a07859.html">List·of·all·members</a>··</div>71 <a·href="../../d4/dcf/a07859.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::CreateRepresentationMessage·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::CreateRepresentationMessage·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d39/a01112_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::CreateRepresentationMessage:</div>77 Inheritance·diagram·for·BALL::VIEW::CreateRepresentationMessage:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d4/dad/a07862.png"·usemap="#BALL::VIEW::CreateRepresentationMessage_map"·alt=""/>80 ··<img·src="../../d4/dad/a07862.png"·usemap="#BALL::VIEW::CreateRepresentationMessage_map"·alt=""/>
81 ··<map·id="BALL::VIEW::CreateRepresentationMessage_map"·name="BALL::VIEW::CreateRepresentationMessage_map">81 ··<map·id="BALL::VIEW::CreateRepresentationMessage_map"·name="BALL::VIEW::CreateRepresentationMessage_map">
82 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,259,24"/>82 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,259,24"/>
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113 <tr·class="separator:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>113 <tr·class="separator:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
114 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>114 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>
115 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>115 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
116 </table>116 </table>
117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
118 <div·class="textblock"><p·>Notify·the·<a·class="el"·href="../../da/dde/a07566.html">DisplayProperties</a>·dialog·so·that·it·creates·a·new·<a·class="el"·href="../../d6/de8/a07934.html">Representation</a>.·</p><dl·class="section·user"><dt></dt><dd>Send·by·the·<a·class="el"·href="../../d5/db3/a08442.html">MolecularControl</a>.·</dd></dl>118 <div·class="textblock"><p·>Notify·the·<a·class="el"·href="../../da/dde/a07566.html">DisplayProperties</a>·dialog·so·that·it·creates·a·new·<a·class="el"·href="../../d6/de8/a07934.html">Representation</a>.·</p><dl·class="section·user"><dt></dt><dd>Send·by·the·<a·class="el"·href="../../d5/db3/a08442.html">MolecularControl</a>.·</dd></dl>
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00689">689</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00689">689</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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200 <h2·class="memtitle"><span·class="permalink"><a·href="#ad6ef9162b95f6fb8cd1e09ff9e92cff8">&#9670;&nbsp;</a></span>getComposites()</h2>200 <h2·class="memtitle"><span·class="permalink"><a·href="#ad6ef9162b95f6fb8cd1e09ff9e92cff8">&#9670;&nbsp;</a></span>getComposites()</h2>
  
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227 <h2·class="memtitle"><span·class="permalink"><a·href="#a637ad9c9f71e8a83a060cc1b51c7f6b7">&#9670;&nbsp;</a></span>getModelType()</h2>227 <h2·class="memtitle"><span·class="permalink"><a·href="#a637ad9c9f71e8a83a060cc1b51c7f6b7">&#9670;&nbsp;</a></span>getModelType()</h2>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">mlrModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">energeticEvaluation.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d0a/a02015_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d2f/a01586_source.html">BALL/DOCKING/COMMON/conformationSet.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/d51/a20335_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/>75 <code>#include·&lt;vector&gt;</code><br·/>
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72 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../d4/db1/a03678.html"·title="Option·names.">Option</a>·names.··75 <p><a·class="el"·href="../../d4/db1/a03678.html"·title="Option·names.">Option</a>·names.··
76 ·<a·href="../../d4/db1/a03678.html#details">More...</a></p>76 ·<a·href="../../d4/db1/a03678.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d3/d87/a00539_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d5/d10/a01571_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
80 Static·Public·Attributes</h2></td></tr>80 Static·Public·Attributes</h2></td></tr>
81 <tr·class="memitem:ac90603e548732c88a1a9e9709a1d1b56"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/db1/a03678.html#ac90603e548732c88a1a9e9709a1d1b56">CLUSTER_METHOD</a></td></tr>81 <tr·class="memitem:ac90603e548732c88a1a9e9709a1d1b56"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/db1/a03678.html#ac90603e548732c88a1a9e9709a1d1b56">CLUSTER_METHOD</a></td></tr>
82 <tr·class="separator:ac90603e548732c88a1a9e9709a1d1b56"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:ac90603e548732c88a1a9e9709a1d1b56"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a5b4b071656d6cb1a78bf42a141371001"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/db1/a03678.html#a5b4b071656d6cb1a78bf42a141371001">DISTANCE_THRESHOLD</a></td></tr>83 <tr·class="memitem:a5b4b071656d6cb1a78bf42a141371001"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/db1/a03678.html#a5b4b071656d6cb1a78bf42a141371001">DISTANCE_THRESHOLD</a></td></tr>
84 <tr·class="separator:a5b4b071656d6cb1a78bf42a141371001"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a5b4b071656d6cb1a78bf42a141371001"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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91 <tr·class="memitem:a2ef49f856ee82bd01fd0cbb65b0b2c1f"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/db1/a03678.html#a2ef49f856ee82bd01fd0cbb65b0b2c1f">RUN_PARALLEL</a></td></tr>91 <tr·class="memitem:a2ef49f856ee82bd01fd0cbb65b0b2c1f"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/db1/a03678.html#a2ef49f856ee82bd01fd0cbb65b0b2c1f">RUN_PARALLEL</a></td></tr>
92 <tr·class="separator:a2ef49f856ee82bd01fd0cbb65b0b2c1f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:a2ef49f856ee82bd01fd0cbb65b0b2c1f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table>93 </table>
94 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>94 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
95 <div·class="textblock"><p·><a·class="el"·href="../../d4/db1/a03678.html"·title="Option·names.">Option</a>·names.·</p>95 <div·class="textblock"><p·><a·class="el"·href="../../d4/db1/a03678.html"·title="Option·names.">Option</a>·names.·</p>
  
96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00133">133</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00133">133</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
97 </div><h2·class="groupheader">Member·Data·Documentation</h2>97 </div><h2·class="groupheader">Member·Data·Documentation</h2>
98 <a·id="ac90603e548732c88a1a9e9709a1d1b56"·name="ac90603e548732c88a1a9e9709a1d1b56"></a>98 <a·id="ac90603e548732c88a1a9e9709a1d1b56"·name="ac90603e548732c88a1a9e9709a1d1b56"></a>
99 <h2·class="memtitle"><span·class="permalink"><a·href="#ac90603e548732c88a1a9e9709a1d1b56">&#9670;&nbsp;</a></span>CLUSTER_METHOD</h2>99 <h2·class="memtitle"><span·class="permalink"><a·href="#ac90603e548732c88a1a9e9709a1d1b56">&#9670;&nbsp;</a></span>CLUSTER_METHOD</h2>
  
100 <div·class="memitem">100 <div·class="memitem">
101 <div·class="memproto">101 <div·class="memproto">
102 <table·class="mlabels">102 <table·class="mlabels">
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113 ··<td·class="mlabels-right">113 ··<td·class="mlabels-right">
114 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>114 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
115 ··</tr>115 ··</tr>
116 </table>116 </table>
117 </div><div·class="memdoc">117 </div><div·class="memdoc">
118 <p·>the·clustering·method·</p>118 <p·>the·clustering·method·</p>
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
120 </div>120 </div>
121 </div>121 </div>
122 <a·id="a5b4b071656d6cb1a78bf42a141371001"·name="a5b4b071656d6cb1a78bf42a141371001"></a>122 <a·id="a5b4b071656d6cb1a78bf42a141371001"·name="a5b4b071656d6cb1a78bf42a141371001"></a>
123 <h2·class="memtitle"><span·class="permalink"><a·href="#a5b4b071656d6cb1a78bf42a141371001">&#9670;&nbsp;</a></span>DISTANCE_THRESHOLD</h2>123 <h2·class="memtitle"><span·class="permalink"><a·href="#a5b4b071656d6cb1a78bf42a141371001">&#9670;&nbsp;</a></span>DISTANCE_THRESHOLD</h2>
  
124 <div·class="memitem">124 <div·class="memitem">
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138 ··<td·class="mlabels-right">138 ··<td·class="mlabels-right">
139 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>139 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
140 ··</tr>140 ··</tr>
141 </table>141 </table>
142 </div><div·class="memdoc">142 </div><div·class="memdoc">
143 <p·>the·threshold·for·minimal·required·cluster·distance·</p>143 <p·>the·threshold·for·minimal·required·cluster·distance·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00141">141</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00141">141</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
145 </div>145 </div>
146 </div>146 </div>
147 <a·id="ae45b1a3c58d70fb62b395b232d5db4d2"·name="ae45b1a3c58d70fb62b395b232d5db4d2"></a>147 <a·id="ae45b1a3c58d70fb62b395b232d5db4d2"·name="ae45b1a3c58d70fb62b395b232d5db4d2"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#ae45b1a3c58d70fb62b395b232d5db4d2">&#9670;&nbsp;</a></span>RMSD_LEVEL_OF_DETAIL</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#ae45b1a3c58d70fb62b395b232d5db4d2">&#9670;&nbsp;</a></span>RMSD_LEVEL_OF_DETAIL</h2>
  
149 <div·class="memitem">149 <div·class="memitem">
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163 ··<td·class="mlabels-right">163 ··<td·class="mlabels-right">
164 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>164 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
165 ··</tr>165 ··</tr>
166 </table>166 </table>
167 </div><div·class="memdoc">167 </div><div·class="memdoc">
168 <p·>the·level·of·detail·when·computing·the·RMSD·</p>168 <p·>the·level·of·detail·when·computing·the·RMSD·</p>
  
169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00145">145</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00145">145</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
170 </div>170 </div>
171 </div>171 </div>
172 <a·id="a83a0942c7ca5d8d8a1c1070bc3807cde"·name="a83a0942c7ca5d8d8a1c1070bc3807cde"></a>172 <a·id="a83a0942c7ca5d8d8a1c1070bc3807cde"·name="a83a0942c7ca5d8d8a1c1070bc3807cde"></a>
173 <h2·class="memtitle"><span·class="permalink"><a·href="#a83a0942c7ca5d8d8a1c1070bc3807cde">&#9670;&nbsp;</a></span>RMSD_TYPE</h2>173 <h2·class="memtitle"><span·class="permalink"><a·href="#a83a0942c7ca5d8d8a1c1070bc3807cde">&#9670;&nbsp;</a></span>RMSD_TYPE</h2>
  
174 <div·class="memitem">174 <div·class="memitem">
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188 ··<td·class="mlabels-right">188 ··<td·class="mlabels-right">
189 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>189 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
190 ··</tr>190 ··</tr>
191 </table>191 </table>
192 </div><div·class="memdoc">192 </div><div·class="memdoc">
193 <p·>the·computation·type·of·the·cluster·distance·meassure·</p>193 <p·>the·computation·type·of·the·cluster·distance·meassure·</p>
  
194 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>194 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
195 </div>195 </div>
196 </div>196 </div>
197 <a·id="a2ef49f856ee82bd01fd0cbb65b0b2c1f"·name="a2ef49f856ee82bd01fd0cbb65b0b2c1f"></a>197 <a·id="a2ef49f856ee82bd01fd0cbb65b0b2c1f"·name="a2ef49f856ee82bd01fd0cbb65b0b2c1f"></a>
198 <h2·class="memtitle"><span·class="permalink"><a·href="#a2ef49f856ee82bd01fd0cbb65b0b2c1f">&#9670;&nbsp;</a></span>RUN_PARALLEL</h2>198 <h2·class="memtitle"><span·class="permalink"><a·href="#a2ef49f856ee82bd01fd0cbb65b0b2c1f">&#9670;&nbsp;</a></span>RUN_PARALLEL</h2>
  
199 <div·class="memitem">199 <div·class="memitem">
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213 ··<td·class="mlabels-right">213 ··<td·class="mlabels-right">
214 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>214 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
215 ··</tr>215 ··</tr>
216 </table>216 </table>
217 </div><div·class="memdoc">217 </div><div·class="memdoc">
218 <p·>flag·for·requesting·parallel·execution·</p>218 <p·>flag·for·requesting·parallel·execution·</p>
  
219 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00153">153</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>219 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00153">153</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
220 </div>220 </div>
221 </div>221 </div>
222 </div><!--·contents·-->222 </div><!--·contents·-->
223 <!--·start·footer·part·-->223 <!--·start·footer·part·-->
224 <hr·class="footer"/><address·class="footer"><small>224 <hr·class="footer"/><address·class="footer"><small>
225 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4225 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d1/da2/a04991.html">List·of·all·members</a>··</div>71 <a·href="../../d1/da2/a04991.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::TruePredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::TruePredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d16/a00029_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::GAFFCESParser::TruePredicate:</div>77 Inheritance·diagram·for·BALL::GAFFCESParser::TruePredicate:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d4/dbc/a04994.png"·usemap="#BALL::GAFFCESParser::TruePredicate_map"·alt=""/>80 ··<img·src="../../d4/dbc/a04994.png"·usemap="#BALL::GAFFCESParser::TruePredicate_map"·alt=""/>
81 ··<map·id="BALL::GAFFCESParser::TruePredicate_map"·name="BALL::GAFFCESParser::TruePredicate_map">81 ··<map·id="BALL::GAFFCESParser::TruePredicate_map"·name="BALL::GAFFCESParser::TruePredicate_map">
82 <area·href="../../d3/d64/a04974.html"·alt="BALL::GAFFCESParser::CESPredicate"·shape="rect"·coords="0,0,232,24"/>82 <area·href="../../d3/d64/a04974.html"·alt="BALL::GAFFCESParser::CESPredicate"·shape="rect"·coords="0,0,232,24"/>
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150 <tr·class="memitem:aa77b525e539ca3ff3c88796eda9f4666·inherit·pro_attribs_a04974"><td·class="memItemLeft"·align="right"·valign="top">std::map&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·<a·class="el"·href="../../d3/d64/a04974.html#a2df6f0e5b38790bae2acee06dcc7bb5d">CESwildcards</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d64/a04974.html#aa77b525e539ca3ff3c88796eda9f4666">stringToWildcard_</a></td></tr>150 <tr·class="memitem:aa77b525e539ca3ff3c88796eda9f4666·inherit·pro_attribs_a04974"><td·class="memItemLeft"·align="right"·valign="top">std::map&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·<a·class="el"·href="../../d3/d64/a04974.html#a2df6f0e5b38790bae2acee06dcc7bb5d">CESwildcards</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d64/a04974.html#aa77b525e539ca3ff3c88796eda9f4666">stringToWildcard_</a></td></tr>
151 <tr·class="separator:aa77b525e539ca3ff3c88796eda9f4666·inherit·pro_attribs_a04974"><td·class="memSeparator"·colspan="2">&#160;</td></tr>151 <tr·class="separator:aa77b525e539ca3ff3c88796eda9f4666·inherit·pro_attribs_a04974"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
152 <tr·class="memitem:a130fff243e545f94e485e52a7d0b1aa6·inherit·pro_attribs_a04974"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d1/dd4/a04958.html">GAFFCESParser</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d64/a04974.html#a130fff243e545f94e485e52a7d0b1aa6">parser_</a></td></tr>152 <tr·class="memitem:a130fff243e545f94e485e52a7d0b1aa6·inherit·pro_attribs_a04974"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d1/dd4/a04958.html">GAFFCESParser</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d64/a04974.html#a130fff243e545f94e485e52a7d0b1aa6">parser_</a></td></tr>
153 <tr·class="separator:a130fff243e545f94e485e52a7d0b1aa6·inherit·pro_attribs_a04974"><td·class="memSeparator"·colspan="2">&#160;</td></tr>153 <tr·class="separator:a130fff243e545f94e485e52a7d0b1aa6·inherit·pro_attribs_a04974"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
154 </table>154 </table>
155 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>155 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
156 <div·class="textblock">156 <div·class="textblock">
157 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00276">276</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">GAFFCESParser.h</a>.</p>157 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00276">276</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
158 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>158 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
159 <a·id="ac8ee9723ffe18b671e5bb7735530a5b5"·name="ac8ee9723ffe18b671e5bb7735530a5b5"></a>159 <a·id="ac8ee9723ffe18b671e5bb7735530a5b5"·name="ac8ee9723ffe18b671e5bb7735530a5b5"></a>
160 <h2·class="memtitle"><span·class="permalink"><a·href="#ac8ee9723ffe18b671e5bb7735530a5b5">&#9670;&nbsp;</a></span>TruePredicate()</h2>160 <h2·class="memtitle"><span·class="permalink"><a·href="#ac8ee9723ffe18b671e5bb7735530a5b5">&#9670;&nbsp;</a></span>TruePredicate()</h2>
  
161 <div·class="memitem">161 <div·class="memitem">
162 <div·class="memproto">162 <div·class="memproto">
163 <table·class="mlabels">163 <table·class="mlabels">
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176 ··</td>176 ··</td>
177 ··<td·class="mlabels-right">177 ··<td·class="mlabels-right">
178 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>178 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
179 ··</tr>179 ··</tr>
180 </table>180 </table>
181 </div><div·class="memdoc">181 </div><div·class="memdoc">
  
182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00279">279</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">GAFFCESParser.h</a>.</p>182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00279">279</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
183 </div>183 </div>
184 </div>184 </div>
185 <a·id="a0eae33624d1cd1e3288ce5bccc42df36"·name="a0eae33624d1cd1e3288ce5bccc42df36"></a>185 <a·id="a0eae33624d1cd1e3288ce5bccc42df36"·name="a0eae33624d1cd1e3288ce5bccc42df36"></a>
186 <h2·class="memtitle"><span·class="permalink"><a·href="#a0eae33624d1cd1e3288ce5bccc42df36">&#9670;&nbsp;</a></span>~TruePredicate()</h2>186 <h2·class="memtitle"><span·class="permalink"><a·href="#a0eae33624d1cd1e3288ce5bccc42df36">&#9670;&nbsp;</a></span>~TruePredicate()</h2>
  
187 <div·class="memitem">187 <div·class="memitem">
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203 ··</td>203 ··</td>
204 ··<td·class="mlabels-right">204 ··<td·class="mlabels-right">
205 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>205 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
206 ··</tr>206 ··</tr>
207 </table>207 </table>
208 </div><div·class="memdoc">208 </div><div·class="memdoc">
  
209 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00282">282</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">GAFFCESParser.h</a>.</p>209 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00282">282</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
210 </div>210 </div>
211 </div>211 </div>
212 <h2·class="groupheader">Member·Function·Documentation</h2>212 <h2·class="groupheader">Member·Function·Documentation</h2>
213 <a·id="af480ff1d5e76244dc6b3263dcf97737a"·name="af480ff1d5e76244dc6b3263dcf97737a"></a>213 <a·id="af480ff1d5e76244dc6b3263dcf97737a"·name="af480ff1d5e76244dc6b3263dcf97737a"></a>
214 <h2·class="memtitle"><span·class="permalink"><a·href="#af480ff1d5e76244dc6b3263dcf97737a">&#9670;&nbsp;</a></span>match()</h2>214 <h2·class="memtitle"><span·class="permalink"><a·href="#af480ff1d5e76244dc6b3263dcf97737a">&#9670;&nbsp;</a></span>match()</h2>
  
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234 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>234 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
235 ··</tr>235 ··</tr>
236 </table>236 </table>
237 </div><div·class="memdoc">237 </div><div·class="memdoc">
  
238 <p>Reimplemented·from·<a·class="el"·href="../../d3/d64/a04974.html#a6fa77d239dc477a82acd8ed00361e0bc">BALL::GAFFCESParser::CESPredicate</a>.</p>238 <p>Reimplemented·from·<a·class="el"·href="../../d3/d64/a04974.html#a6fa77d239dc477a82acd8ed00361e0bc">BALL::GAFFCESParser::CESPredicate</a>.</p>
  
239 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00284">284</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">GAFFCESParser.h</a>.</p>239 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00284">284</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
240 </div>240 </div>
241 </div>241 </div>
242 </div><!--·contents·-->242 </div><!--·contents·-->
243 <!--·start·footer·part·-->243 <!--·start·footer·part·-->
244 <hr·class="footer"/><address·class="footer"><small>244 <hr·class="footer"/><address·class="footer"><small>
245 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4245 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d8/df0/a05791.html">List·of·all·members</a>··</div>70 <a·href="../../d8/df0/a05791.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::PartialChargeBase·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::PartialChargeBase·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../da/d51/a02000_source.html">BALL/QSAR/partialChargeBase.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d3/d93/a00341_source.html">BALL/QSAR/partialChargeBase.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
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77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
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177 </table>177 </table>
178 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>178 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
179 <div·class="textblock"><p·>Generic·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·molecular·partial·charge·descriptor·class·\·</p>179 <div·class="textblock"><p·>Generic·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·molecular·partial·charge·descriptor·class·\·</p>
  
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181 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>181 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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72 ··<div·class="headertitle"><div·class="title">BALL::InRingPredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::InRingPredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
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78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d4/dc3/a04706.png"·usemap="#BALL::InRingPredicate_map"·alt=""/>80 ··<img·src="../../d4/dc3/a04706.png"·usemap="#BALL::InRingPredicate_map"·alt=""/>
81 ··<map·id="BALL::InRingPredicate_map"·name="BALL::InRingPredicate_map">81 ··<map·id="BALL::InRingPredicate_map"·name="BALL::InRingPredicate_map">
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129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p·>Predicate·for·atoms·being·included·in·rings·of·a·certain·number.·</p>131 <div·class="textblock"><p·>Predicate·for·atoms·being·included·in·rings·of·a·certain·number.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00322">322</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00322">322</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>133 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
134 <a·id="a32c914cb70615fd3964b0878b34a8068"·name="a32c914cb70615fd3964b0878b34a8068"></a>134 <a·id="a32c914cb70615fd3964b0878b34a8068"·name="a32c914cb70615fd3964b0878b34a8068"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#a32c914cb70615fd3964b0878b34a8068">&#9670;&nbsp;</a></span>InRingPredicate()·<span·class="overload">[1/2]</span></h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#a32c914cb70615fd3964b0878b34a8068">&#9670;&nbsp;</a></span>InRingPredicate()·<span·class="overload">[1/2]</span></h2>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li><li·class="navelem"><a·class="el"·href="../../dir_6ac6220cac5eaca96612654e61f12e3a.html">BONDORDERS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_318e4e36585355a52a6b5535463b9898.html">COMMON</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">partialBondOrderAssignment.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">init.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/> 
78 <code>#include·&lt;vector&gt;</code><br·/> 
79 </div>75 </div>
80 <p><a·href="../../d4/dc4/a00617_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d4/dc4/a00617_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls">77 <table·class="memberdecls">
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84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dc7/a06818.html">BALL::PartialBondOrderAssignment</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dde/a03178.html">BALL::GlobalInitializer</a></td></tr>
85 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">A·full·or·partial·solution·to·the·AStar-based·bond·order·assignment·problem.··<a·href="../../db/dc7/a06818.html#details">More...</a><br·/></td></tr> 
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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89 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::HTMLViewErrorWidget·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::HTMLViewErrorWidget·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/daa/a01577_source.html">BALL/VIEW/WIDGETS/HTMLView.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d61/a01130_source.html">BALL/VIEW/WIDGETS/HTMLView.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::HTMLViewErrorWidget:</div>77 Inheritance·diagram·for·BALL::VIEW::HTMLViewErrorWidget:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d4/dc6/a08422.png"·usemap="#BALL::VIEW::HTMLViewErrorWidget_map"·alt=""/>80 ··<img·src="../../d4/dc6/a08422.png"·usemap="#BALL::VIEW::HTMLViewErrorWidget_map"·alt=""/>
81 ··<map·id="BALL::VIEW::HTMLViewErrorWidget_map"·name="BALL::VIEW::HTMLViewErrorWidget_map">81 ··<map·id="BALL::VIEW::HTMLViewErrorWidget_map"·name="BALL::VIEW::HTMLViewErrorWidget_map">
82 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,216,24"/>82 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,216,24"/>
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87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
88 Public·Member·Functions</h2></td></tr>88 Public·Member·Functions</h2></td></tr>
89 <tr·class="memitem:abe1c56faeffecedc4b28dc1c60858102"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc6/a08422.html#abe1c56faeffecedc4b28dc1c60858102">HTMLViewErrorWidget</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*parent=0)</td></tr>89 <tr·class="memitem:abe1c56faeffecedc4b28dc1c60858102"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc6/a08422.html#abe1c56faeffecedc4b28dc1c60858102">HTMLViewErrorWidget</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*parent=0)</td></tr>
90 <tr·class="separator:abe1c56faeffecedc4b28dc1c60858102"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:abe1c56faeffecedc4b28dc1c60858102"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table>91 </table>
92 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>92 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
93 <div·class="textblock">93 <div·class="textblock">
94 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/daa/a01577_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d3/daa/a01577_source.html">HTMLView.h</a>.</p>94 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d61/a01130_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d0/d61/a01130_source.html">HTMLView.h</a>.</p>
95 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>95 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
96 <a·id="abe1c56faeffecedc4b28dc1c60858102"·name="abe1c56faeffecedc4b28dc1c60858102"></a>96 <a·id="abe1c56faeffecedc4b28dc1c60858102"·name="abe1c56faeffecedc4b28dc1c60858102"></a>
97 <h2·class="memtitle"><span·class="permalink"><a·href="#abe1c56faeffecedc4b28dc1c60858102">&#9670;&nbsp;</a></span>HTMLViewErrorWidget()</h2>97 <h2·class="memtitle"><span·class="permalink"><a·href="#abe1c56faeffecedc4b28dc1c60858102">&#9670;&nbsp;</a></span>HTMLViewErrorWidget()</h2>
  
98 <div·class="memitem">98 <div·class="memitem">
99 <div·class="memproto">99 <div·class="memproto">
100 <table·class="mlabels">100 <table·class="mlabels">
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116 ··</tr>116 ··</tr>
117 </table>117 </table>
118 </div><div·class="memdoc">118 </div><div·class="memdoc">
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/daa/a01577_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d3/daa/a01577_source.html">HTMLView.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d61/a01130_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d0/d61/a01130_source.html">HTMLView.h</a>.</p>
  
120 </div>120 </div>
121 </div>121 </div>
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123 <!--·start·footer·part·-->123 <!--·start·footer·part·-->
124 <hr·class="footer"/><address·class="footer"><small>124 <hr·class="footer"/><address·class="footer"><small>
125 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4125 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../de/dba/a05619.html">List·of·all·members</a>··</div>70 <a·href="../../de/dba/a05619.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::ClassificationValidation·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::ClassificationValidation·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d1/d39/a02048_source.html">BALL/QSAR/classificationValidation.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../da/d65/a00458_source.html">BALL/QSAR/classificationValidation.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::QSAR::ClassificationValidation:</div>76 Inheritance·diagram·for·BALL::QSAR::ClassificationValidation:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d4/dc8/a05622.png"·usemap="#BALL::QSAR::ClassificationValidation_map"·alt=""/>79 ··<img·src="../../d4/dc8/a05622.png"·usemap="#BALL::QSAR::ClassificationValidation_map"·alt=""/>
80 ··<map·id="BALL::QSAR::ClassificationValidation_map"·name="BALL::QSAR::ClassificationValidation_map">80 ··<map·id="BALL::QSAR::ClassificationValidation_map"·name="BALL::QSAR::ClassificationValidation_map">
81 <area·href="../../de/d8c/a06114.html"·alt="BALL::QSAR::Validation"·shape="rect"·coords="0,0,221,24"/>81 <area·href="../../de/d8c/a06114.html"·alt="BALL::QSAR::Validation"·shape="rect"·coords="0,0,221,24"/>
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152 <tr·class="separator:ac34cbc0c32fd360aa2d718d5c400129a·inherit·pro_attribs_a06114"><td·class="memSeparator"·colspan="2">&#160;</td></tr>152 <tr·class="separator:ac34cbc0c32fd360aa2d718d5c400129a·inherit·pro_attribs_a06114"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
153 <tr·class="memitem:acb39d3a5d33ea90657412bde99a8335c·inherit·pro_attribs_a06114"><td·class="memItemLeft"·align="right"·valign="top">Eigen::MatrixXd&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8c/a06114.html#acb39d3a5d33ea90657412bde99a8335c">yRand_results_</a></td></tr>153 <tr·class="memitem:acb39d3a5d33ea90657412bde99a8335c·inherit·pro_attribs_a06114"><td·class="memItemLeft"·align="right"·valign="top">Eigen::MatrixXd&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8c/a06114.html#acb39d3a5d33ea90657412bde99a8335c">yRand_results_</a></td></tr>
154 <tr·class="separator:acb39d3a5d33ea90657412bde99a8335c·inherit·pro_attribs_a06114"><td·class="memSeparator"·colspan="2">&#160;</td></tr>154 <tr·class="separator:acb39d3a5d33ea90657412bde99a8335c·inherit·pro_attribs_a06114"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
155 </table>155 </table>
156 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>156 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
157 <div·class="textblock"><p·>class·for·validation·of·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·regression·models·</p>157 <div·class="textblock"><p·>class·for·validation·of·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·regression·models·</p>
  
158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d39/a02048_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d1/d39/a02048_source.html">classificationValidation.h</a>.</p>158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d65/a00458_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../da/d65/a00458_source.html">classificationValidation.h</a>.</p>
159 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>159 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
160 <a·id="a090fbc927e98de6987a6ea381516b497"·name="a090fbc927e98de6987a6ea381516b497"></a>160 <a·id="a090fbc927e98de6987a6ea381516b497"·name="a090fbc927e98de6987a6ea381516b497"></a>
161 <h2·class="memtitle"><span·class="permalink"><a·href="#a090fbc927e98de6987a6ea381516b497">&#9670;&nbsp;</a></span>ClassificationValidation()</h2>161 <h2·class="memtitle"><span·class="permalink"><a·href="#a090fbc927e98de6987a6ea381516b497">&#9670;&nbsp;</a></span>ClassificationValidation()</h2>
  
162 <div·class="memitem">162 <div·class="memitem">
163 <div·class="memproto">163 <div·class="memproto">
164 ······<table·class="memname">164 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d5/d13/a04739.html">List·of·all·members</a>··</div>71 <a·href="../../d5/d13/a04739.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::SpHybridizedPredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SpHybridizedPredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::SpHybridizedPredicate:</div>77 Inheritance·diagram·for·BALL::SpHybridizedPredicate:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d4/dc9/a04742.png"·usemap="#BALL::SpHybridizedPredicate_map"·alt=""/>80 ··<img·src="../../d4/dc9/a04742.png"·usemap="#BALL::SpHybridizedPredicate_map"·alt=""/>
81 ··<map·id="BALL::SpHybridizedPredicate_map"·name="BALL::SpHybridizedPredicate_map">81 ··<map·id="BALL::SpHybridizedPredicate_map"·name="BALL::SpHybridizedPredicate_map">
82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Predicate·indicating·sp·hybridized·atoms.·</p>122 <div·class="textblock"><p·>Predicate·indicating·sp·hybridized·atoms.·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00729">729</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00729">729</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
125 <a·id="abb1a2c0c8115bf6b8fdab34fb759aeae"·name="abb1a2c0c8115bf6b8fdab34fb759aeae"></a>125 <a·id="abb1a2c0c8115bf6b8fdab34fb759aeae"·name="abb1a2c0c8115bf6b8fdab34fb759aeae"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#abb1a2c0c8115bf6b8fdab34fb759aeae">&#9670;&nbsp;</a></span>operator()()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#abb1a2c0c8115bf6b8fdab34fb759aeae">&#9670;&nbsp;</a></span>operator()()</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
128 <div·class="memproto">128 <div·class="memproto">
129 <table·class="mlabels">129 <table·class="mlabels">
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../dc/d7f/a03367.html">List·of·all·members</a>··</div>70 <a·href="../../dc/d7f/a03367.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::TextPersistenceManager·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::TextPersistenceManager·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d4/d99/a01634_source.html">BALL/CONCEPT/textPersistenceManager.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d9/daf/a00830_source.html">BALL/CONCEPT/textPersistenceManager.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::TextPersistenceManager:</div>76 Inheritance·diagram·for·BALL::TextPersistenceManager:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d4/dcb/a03370.png"·usemap="#BALL::TextPersistenceManager_map"·alt=""/>79 ··<img·src="../../d4/dcb/a03370.png"·usemap="#BALL::TextPersistenceManager_map"·alt=""/>
80 ··<map·id="BALL::TextPersistenceManager_map"·name="BALL::TextPersistenceManager_map">80 ··<map·id="BALL::TextPersistenceManager_map"·name="BALL::TextPersistenceManager_map">
81 <area·href="../../d7/d2e/a03310.html"·alt="BALL::PersistenceManager"·shape="rect"·coords="0,0,189,24"/>81 <area·href="../../d7/d2e/a03310.html"·alt="BALL::PersistenceManager"·shape="rect"·coords="0,0,189,24"/>
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329 <tr·class="separator:a9adc1a6a25b38375d2edca3168f1bcd7·inherit·pro_attribs_a03310"><td·class="memSeparator"·colspan="2">&#160;</td></tr>329 <tr·class="separator:a9adc1a6a25b38375d2edca3168f1bcd7·inherit·pro_attribs_a03310"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
330 <tr·class="memitem:aef2716c6cb98eec44713fbf7f5052e31·inherit·pro_attribs_a03310"><td·class="memItemLeft"·align="right"·valign="top">::std::istream·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d2e/a03310.html#aef2716c6cb98eec44713fbf7f5052e31">istr_</a></td></tr>330 <tr·class="memitem:aef2716c6cb98eec44713fbf7f5052e31·inherit·pro_attribs_a03310"><td·class="memItemLeft"·align="right"·valign="top">::std::istream·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d2e/a03310.html#aef2716c6cb98eec44713fbf7f5052e31">istr_</a></td></tr>
331 <tr·class="separator:aef2716c6cb98eec44713fbf7f5052e31·inherit·pro_attribs_a03310"><td·class="memSeparator"·colspan="2">&#160;</td></tr>331 <tr·class="separator:aef2716c6cb98eec44713fbf7f5052e31·inherit·pro_attribs_a03310"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
332 </table>332 </table>
333 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>333 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
334 <div·class="textblock"><p·>Text-format-based·persistence·manager.·This·class·implements·a·persistnece·manager·that·reads·and·writes·its·objects·in·a·human-readable·text·format.·This·is·slow·and·objects·get·<b>·huge·</b>,·but·the·format·is·clear·and·comprehensible·-·the·ideal·format·to·debug·persistence-related·programs.·For·production·use,·the·<a·class="el"·href="../../db/d7d/a03386.html">XDRPersistenceManager</a>·is·preferred.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../db/d7d/a03386.html">XDRPersistenceManager</a>·</dd></dl>334 <div·class="textblock"><p·>Text-format-based·persistence·manager.·This·class·implements·a·persistnece·manager·that·reads·and·writes·its·objects·in·a·human-readable·text·format.·This·is·slow·and·objects·get·<b>·huge·</b>,·but·the·format·is·clear·and·comprehensible·-·the·ideal·format·to·debug·persistence-related·programs.·For·production·use,·the·<a·class="el"·href="../../db/d7d/a03386.html">XDRPersistenceManager</a>·is·preferred.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../db/d7d/a03386.html">XDRPersistenceManager</a>·</dd></dl>
  
335 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d99/a01634_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d4/d99/a01634_source.html">textPersistenceManager.h</a>.</p>335 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/daf/a00830_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d9/daf/a00830_source.html">textPersistenceManager.h</a>.</p>
336 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>336 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
337 <a·id="a79de6665ff6e93d8c89dbb6fefaa4de0"·name="a79de6665ff6e93d8c89dbb6fefaa4de0"></a>337 <a·id="a79de6665ff6e93d8c89dbb6fefaa4de0"·name="a79de6665ff6e93d8c89dbb6fefaa4de0"></a>
338 <h2·class="memtitle"><span·class="permalink"><a·href="#a79de6665ff6e93d8c89dbb6fefaa4de0">&#9670;&nbsp;</a></span>TextPersistenceManager()·<span·class="overload">[1/4]</span></h2>338 <h2·class="memtitle"><span·class="permalink"><a·href="#a79de6665ff6e93d8c89dbb6fefaa4de0">&#9670;&nbsp;</a></span>TextPersistenceManager()·<span·class="overload">[1/4]</span></h2>
  
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70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../d6/dac/a04339.html">List·of·all·members</a>··</div>71 <a·href="../../d6/dac/a04339.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordSLTBRG::PartnerAtom·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordSLTBRG::PartnerAtom·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a6f61b2562c709b8fcffa20a6f52cd89a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dcb/a04342.html#a6f61b2562c709b8fcffa20a6f52cd89a">atom_name</a></td></tr>79 <tr·class="memitem:a6f61b2562c709b8fcffa20a6f52cd89a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dcb/a04342.html#a6f61b2562c709b8fcffa20a6f52cd89a">atom_name</a></td></tr>
80 <tr·class="separator:a6f61b2562c709b8fcffa20a6f52cd89a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a6f61b2562c709b8fcffa20a6f52cd89a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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82 <tr·class="separator:a94bf51f17428f6514e706829c23c21e7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a94bf51f17428f6514e706829c23c21e7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:ad9fa47d9977bdfb31ee22226f01b3bb8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dcb/a04342.html#ad9fa47d9977bdfb31ee22226f01b3bb8">residue</a></td></tr>83 <tr·class="memitem:ad9fa47d9977bdfb31ee22226f01b3bb8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dcb/a04342.html#ad9fa47d9977bdfb31ee22226f01b3bb8">residue</a></td></tr>
84 <tr·class="separator:ad9fa47d9977bdfb31ee22226f01b3bb8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:ad9fa47d9977bdfb31ee22226f01b3bb8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock">87 <div·class="textblock">
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l01095">1095</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01095">1095</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="a94bf51f17428f6514e706829c23c21e7"·name="a94bf51f17428f6514e706829c23c21e7"></a>90 <a·id="a94bf51f17428f6514e706829c23c21e7"·name="a94bf51f17428f6514e706829c23c21e7"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#a94bf51f17428f6514e706829c23c21e7">&#9670;&nbsp;</a></span>alternate_location_indicator</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#a94bf51f17428f6514e706829c23c21e7">&#9670;&nbsp;</a></span>alternate_location_indicator</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
93 <div·class="memproto">93 <div·class="memproto">
94 ······<table·class="memname">94 ······<table·class="memname">
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96 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#aa56256be31288b3037d75d301a0d743f">Character</a>·BALL::PDB::RecordSLTBRG::PartnerAtom::alternate_location_indicator</td>96 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#aa56256be31288b3037d75d301a0d743f">Character</a>·BALL::PDB::RecordSLTBRG::PartnerAtom::alternate_location_indicator</td>
97 ········</tr>97 ········</tr>
98 ······</table>98 ······</table>
99 </div><div·class="memdoc">99 </div><div·class="memdoc">
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l01098">1098</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01098">1098</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
101 </div>101 </div>
102 </div>102 </div>
103 <a·id="a6f61b2562c709b8fcffa20a6f52cd89a"·name="a6f61b2562c709b8fcffa20a6f52cd89a"></a>103 <a·id="a6f61b2562c709b8fcffa20a6f52cd89a"·name="a6f61b2562c709b8fcffa20a6f52cd89a"></a>
104 <h2·class="memtitle"><span·class="permalink"><a·href="#a6f61b2562c709b8fcffa20a6f52cd89a">&#9670;&nbsp;</a></span>atom_name</h2>104 <h2·class="memtitle"><span·class="permalink"><a·href="#a6f61b2562c709b8fcffa20a6f52cd89a">&#9670;&nbsp;</a></span>atom_name</h2>
  
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113 ········<tr>113 ········<tr>
114 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·BALL::PDB::RecordSLTBRG::PartnerAtom::atom_name</td>114 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·BALL::PDB::RecordSLTBRG::PartnerAtom::atom_name</td>
115 ········</tr>115 ········</tr>
116 ······</table>116 ······</table>
117 </div><div·class="memdoc">117 </div><div·class="memdoc">
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l01097">1097</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01097">1097</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
119 </div>119 </div>
120 </div>120 </div>
121 <a·id="ad9fa47d9977bdfb31ee22226f01b3bb8"·name="ad9fa47d9977bdfb31ee22226f01b3bb8"></a>121 <a·id="ad9fa47d9977bdfb31ee22226f01b3bb8"·name="ad9fa47d9977bdfb31ee22226f01b3bb8"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#ad9fa47d9977bdfb31ee22226f01b3bb8">&#9670;&nbsp;</a></span>residue</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#ad9fa47d9977bdfb31ee22226f01b3bb8">&#9670;&nbsp;</a></span>residue</h2>
  
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129 ········<tr>129 ········<tr>
130 ··········<td·class="memname"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>·BALL::PDB::RecordSLTBRG::PartnerAtom::residue</td>130 ··········<td·class="memname"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>·BALL::PDB::RecordSLTBRG::PartnerAtom::residue</td>
131 ········</tr>131 ········</tr>
132 ······</table>132 ······</table>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c87a3f409bf7b467c2853acf63d5429e.html">INPUT</a></li>··</ul>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">labelDialog.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">headTrackingEvent.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;QtCore/QEvent&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d5/df4/a01322_source.html">BALL/VIEW/INPUT/deviceEvent.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d3/d52/a00023_source.html">BALL/FORMAT/INIFile.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d0/d39/a01112_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d3/de5/a00209_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/>
78 <code>#include·&lt;BALL/VIEW/UIC/ui_labelDialog.h&gt;</code><br·/> 
79 <code>#include·&lt;QtGui/QFont&gt;</code><br·/> 
80 </div>78 </div>
81 <p><a·href="../../d4/dd1/a01334_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d4/dd1/a01334_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls">80 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
84 Classes</h2></td></tr>82 Classes</h2></td></tr>
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d8d/a07626.html">BALL::VIEW::LabelDialog</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/da5/a07762.html">BALL::VIEW::HeadTrackingEvent</a></td></tr>
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71 ··<div·class="headertitle"><div·class="title">transformationEvent6D.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">editSingleShortcut.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;QtCore/QEvent&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d2/d49/a01067_source.html">BALL/VIEW/KERNEL/shortcutRegistry.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d3/d53/a01262_source.html">BALL/VIEW/INPUT/deviceEvent.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>77 <code>#include·&lt;BALL/VIEW/UIC/ui_editSingleShortcut.h&gt;</code><br·/>
 78 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>
77 </div>79 </div>
78 <p><a·href="../../d4/dd5/a01244_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../d4/dd5/a01244_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">81 <table·class="memberdecls">
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82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/db3/a07782.html">BALL::VIEW::TransformationEvent6D</a></td></tr>84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da8/a07598.html">BALL::VIEW::EditSingleShortcut</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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86 Namespaces</h2></td></tr>88 Namespaces</h2></td></tr>
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72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::VIEWPlugin·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::VIEWPlugin·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/VIEW/PLUGIN/VIEWPlugin.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../db/d17/a01148_source.html">BALL/VIEW/PLUGIN/VIEWPlugin.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
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79 <tr·class="memitem:a421ae944e496116db478f69b3936fd89"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd5/a08154.html#a421ae944e496116db478f69b3936fd89">~VIEWPlugin</a>·()</td></tr>79 <tr·class="memitem:a421ae944e496116db478f69b3936fd89"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd5/a08154.html#a421ae944e496116db478f69b3936fd89">~VIEWPlugin</a>·()</td></tr>
80 <tr·class="separator:a421ae944e496116db478f69b3936fd89"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a421ae944e496116db478f69b3936fd89"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:aa1480fc23604343a0b6467c2127b8dcb"><td·class="memItemLeft"·align="right"·valign="top">virtual·QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd5/a08154.html#aa1480fc23604343a0b6467c2127b8dcb">getName</a>·()·const·=0</td></tr>81 <tr·class="memitem:aa1480fc23604343a0b6467c2127b8dcb"><td·class="memItemLeft"·align="right"·valign="top">virtual·QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd5/a08154.html#aa1480fc23604343a0b6467c2127b8dcb">getName</a>·()·const·=0</td></tr>
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89 <tr·class="separator:a696fbc7a229181a442503d626ac8fba4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a696fbc7a229181a442503d626ac8fba4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a9c06e994483ba41a7fd5277ba0a80f59"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd5/a08154.html#a9c06e994483ba41a7fd5277ba0a80f59">isActive</a>·()=0</td></tr>90 <tr·class="memitem:a9c06e994483ba41a7fd5277ba0a80f59"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd5/a08154.html#a9c06e994483ba41a7fd5277ba0a80f59">isActive</a>·()=0</td></tr>
91 <tr·class="separator:a9c06e994483ba41a7fd5277ba0a80f59"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a9c06e994483ba41a7fd5277ba0a80f59"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
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96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
97 <a·id="a421ae944e496116db478f69b3936fd89"·name="a421ae944e496116db478f69b3936fd89"></a>97 <a·id="a421ae944e496116db478f69b3936fd89"·name="a421ae944e496116db478f69b3936fd89"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a421ae944e496116db478f69b3936fd89">&#9670;&nbsp;</a></span>~VIEWPlugin()</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a421ae944e496116db478f69b3936fd89">&#9670;&nbsp;</a></span>~VIEWPlugin()</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 <table·class="mlabels">101 <table·class="mlabels">
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113 ··</td>113 ··</td>
114 ··<td·class="mlabels-right">114 ··<td·class="mlabels-right">
115 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>115 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
116 ··</tr>116 ··</tr>
117 </table>117 </table>
118 </div><div·class="memdoc">118 </div><div·class="memdoc">
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">VIEWPlugin.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d17/a01148_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../db/d17/a01148_source.html">VIEWPlugin.h</a>.</p>
  
120 </div>120 </div>
121 </div>121 </div>
122 <h2·class="groupheader">Member·Function·Documentation</h2>122 <h2·class="groupheader">Member·Function·Documentation</h2>
123 <a·id="a696fbc7a229181a442503d626ac8fba4"·name="a696fbc7a229181a442503d626ac8fba4"></a>123 <a·id="a696fbc7a229181a442503d626ac8fba4"·name="a696fbc7a229181a442503d626ac8fba4"></a>
124 <h2·class="memtitle"><span·class="permalink"><a·href="#a696fbc7a229181a442503d626ac8fba4">&#9670;&nbsp;</a></span>getConfigDialog()</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#a696fbc7a229181a442503d626ac8fba4">&#9670;&nbsp;</a></span>getConfigDialog()</h2>
  
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../da/d94/a07483.html">List·of·all·members</a>··</div>72 <a·href="../../da/d94/a07483.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RaytraceableGrid·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RaytraceableGrid·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d2/d41/a01493_source.html">BALL/VIEW/DATATYPE/raytraceableGrid.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d2/d1f/a01361_source.html">BALL/VIEW/DATATYPE/raytraceableGrid.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:ae0bf87570ff59387b96acec3a0ca7ea2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd9/a07486.html#ae0bf87570ff59387b96acec3a0ca7ea2">RaytraceableGrid</a>·()</td></tr>80 <tr·class="memitem:ae0bf87570ff59387b96acec3a0ca7ea2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd9/a07486.html#ae0bf87570ff59387b96acec3a0ca7ea2">RaytraceableGrid</a>·()</td></tr>
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95 Protected·Attributes</h2></td></tr>95 Protected·Attributes</h2></td></tr>
96 <tr·class="memitem:a4e48bad7f2900a8c5ca0ac96b278db8f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a4d66d487ac43a499e5f5ec49ee376671">RegularData3D</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd9/a07486.html#a4e48bad7f2900a8c5ca0ac96b278db8f">grid_</a></td></tr>96 <tr·class="memitem:a4e48bad7f2900a8c5ca0ac96b278db8f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a4d66d487ac43a499e5f5ec49ee376671">RegularData3D</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd9/a07486.html#a4e48bad7f2900a8c5ca0ac96b278db8f">grid_</a></td></tr>
97 <tr·class="separator:a4e48bad7f2900a8c5ca0ac96b278db8f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:a4e48bad7f2900a8c5ca0ac96b278db8f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>98 </table>
99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
100 <div·class="textblock">100 <div·class="textblock">
101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d41/a01493_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d2/d41/a01493_source.html">raytraceableGrid.h</a>.</p>101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a01361_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d2/d1f/a01361_source.html">raytraceableGrid.h</a>.</p>
102 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>102 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
103 <a·id="ae0bf87570ff59387b96acec3a0ca7ea2"·name="ae0bf87570ff59387b96acec3a0ca7ea2"></a>103 <a·id="ae0bf87570ff59387b96acec3a0ca7ea2"·name="ae0bf87570ff59387b96acec3a0ca7ea2"></a>
104 <h2·class="memtitle"><span·class="permalink"><a·href="#ae0bf87570ff59387b96acec3a0ca7ea2">&#9670;&nbsp;</a></span>RaytraceableGrid()·<span·class="overload">[1/2]</span></h2>104 <h2·class="memtitle"><span·class="permalink"><a·href="#ae0bf87570ff59387b96acec3a0ca7ea2">&#9670;&nbsp;</a></span>RaytraceableGrid()·<span·class="overload">[1/2]</span></h2>
  
105 <div·class="memitem">105 <div·class="memitem">
106 <div·class="memproto">106 <div·class="memproto">
107 <table·class="mlabels">107 <table·class="mlabels">
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119 ··</td>119 ··</td>
120 ··<td·class="mlabels-right">120 ··<td·class="mlabels-right">
121 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>121 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
122 ··</tr>122 ··</tr>
123 </table>123 </table>
124 </div><div·class="memdoc">124 </div><div·class="memdoc">
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d41/a01493_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d2/d41/a01493_source.html">raytraceableGrid.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a01361_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d2/d1f/a01361_source.html">raytraceableGrid.h</a>.</p>
  
126 </div>126 </div>
127 </div>127 </div>
128 <a·id="acfeca7e9bc2198c796d05ef6ac53d3f1"·name="acfeca7e9bc2198c796d05ef6ac53d3f1"></a>128 <a·id="acfeca7e9bc2198c796d05ef6ac53d3f1"·name="acfeca7e9bc2198c796d05ef6ac53d3f1"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#acfeca7e9bc2198c796d05ef6ac53d3f1">&#9670;&nbsp;</a></span>RaytraceableGrid()·<span·class="overload">[2/2]</span></h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#acfeca7e9bc2198c796d05ef6ac53d3f1">&#9670;&nbsp;</a></span>RaytraceableGrid()·<span·class="overload">[2/2]</span></h2>
  
130 <div·class="memitem">130 <div·class="memitem">
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147 ··</td>147 ··</td>
148 ··<td·class="mlabels-right">148 ··<td·class="mlabels-right">
149 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>149 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
150 ··</tr>150 ··</tr>
151 </table>151 </table>
152 </div><div·class="memdoc">152 </div><div·class="memdoc">
  
153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d41/a01493_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d2/d41/a01493_source.html">raytraceableGrid.h</a>.</p>153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a01361_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d2/d1f/a01361_source.html">raytraceableGrid.h</a>.</p>
  
154 </div>154 </div>
155 </div>155 </div>
156 <a·id="a69b180a3acbdb487614f88d7ec0e52ef"·name="a69b180a3acbdb487614f88d7ec0e52ef"></a>156 <a·id="a69b180a3acbdb487614f88d7ec0e52ef"·name="a69b180a3acbdb487614f88d7ec0e52ef"></a>
157 <h2·class="memtitle"><span·class="permalink"><a·href="#a69b180a3acbdb487614f88d7ec0e52ef">&#9670;&nbsp;</a></span>~RaytraceableGrid()</h2>157 <h2·class="memtitle"><span·class="permalink"><a·href="#a69b180a3acbdb487614f88d7ec0e52ef">&#9670;&nbsp;</a></span>~RaytraceableGrid()</h2>
  
158 <div·class="memitem">158 <div·class="memitem">
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174 ··</td>174 ··</td>
175 ··<td·class="mlabels-right">175 ··<td·class="mlabels-right">
176 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>176 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
177 ··</tr>177 ··</tr>
178 </table>178 </table>
179 </div><div·class="memdoc">179 </div><div·class="memdoc">
  
180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d41/a01493_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d2/d41/a01493_source.html">raytraceableGrid.h</a>.</p>180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a01361_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d2/d1f/a01361_source.html">raytraceableGrid.h</a>.</p>
  
181 </div>181 </div>
182 </div>182 </div>
183 <h2·class="groupheader">Member·Function·Documentation</h2>183 <h2·class="groupheader">Member·Function·Documentation</h2>
184 <a·id="a134d8f4e9a3c03e267824cbf2dc82baf"·name="a134d8f4e9a3c03e267824cbf2dc82baf"></a>184 <a·id="a134d8f4e9a3c03e267824cbf2dc82baf"·name="a134d8f4e9a3c03e267824cbf2dc82baf"></a>
185 <h2·class="memtitle"><span·class="permalink"><a·href="#a134d8f4e9a3c03e267824cbf2dc82baf">&#9670;&nbsp;</a></span>binaryWrite()</h2>185 <h2·class="memtitle"><span·class="permalink"><a·href="#a134d8f4e9a3c03e267824cbf2dc82baf">&#9670;&nbsp;</a></span>binaryWrite()</h2>
  
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258 ··</td>258 ··</td>
259 ··<td·class="mlabels-right">259 ··<td·class="mlabels-right">
260 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>260 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
261 ··</tr>261 ··</tr>
262 </table>262 </table>
263 </div><div·class="memdoc">263 </div><div·class="memdoc">
  
264 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d41/a01493_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d2/d41/a01493_source.html">raytraceableGrid.h</a>.</p>264 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a01361_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d2/d1f/a01361_source.html">raytraceableGrid.h</a>.</p>
  
265 </div>265 </div>
266 </div>266 </div>
267 </div><!--·contents·-->267 </div><!--·contents·-->
268 <!--·start·footer·part·-->268 <!--·start·footer·part·-->
269 <hr·class="footer"/><address·class="footer"><small>269 <hr·class="footer"/><address·class="footer"><small>
270 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4270 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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8 <title>BALL:·radiusRuleProcessor.h·File·Reference</title>8 <title>BALL:·GAMESSLogFile.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">radiusRuleProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">GAMESSLogFile.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d8a/a00899_source.html">BALL/MOLMEC/COMMON/ruleProcessor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;BALL/STRUCTURE/QMBasisSet.h&gt;</code><br·/>
 76 <code>#include·&lt;BALL/STRUCTURE/splitValenceSet.h&gt;</code><br·/>
75 </div>77 </div>
76 <p><a·href="../../d4/ddc/a00917_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d4/ddc/a00917_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">79 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>81 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dc2/a05098.html">BALL::RadiusRuleProcessor</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d7a/a03902.html">BALL::GAMESSLogFile</a></td></tr>
 83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d10/a03906.html">BALL::GAMESSLogFile::State</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">86 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
84 Namespaces</h2></td></tr>88 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="#pro-slots">Protected·Slots</a>·&#124;72 <a·href="#pro-slots">Protected·Slots</a>·&#124;
73 <a·href="../../df/dcb/a07559.html">List·of·all·members</a>··</div>73 <a·href="../../df/dcb/a07559.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ContourSurfaceDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ContourSurfaceDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../de/d6c/a01349_source.html">BALL/VIEW/DIALOGS/contourSurfaceDialog.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01301_source.html">BALL/VIEW/DIALOGS/contourSurfaceDialog.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::VIEW::ContourSurfaceDialog:</div>79 Inheritance·diagram·for·BALL::VIEW::ContourSurfaceDialog:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d4/de0/a07562.png"·usemap="#BALL::VIEW::ContourSurfaceDialog_map"·alt=""/>82 ··<img·src="../../d4/de0/a07562.png"·usemap="#BALL::VIEW::ContourSurfaceDialog_map"·alt=""/>
83 ··<map·id="BALL::VIEW::ContourSurfaceDialog_map"·name="BALL::VIEW::ContourSurfaceDialog_map">83 ··<map·id="BALL::VIEW::ContourSurfaceDialog_map"·name="BALL::VIEW::ContourSurfaceDialog_map">
84 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,212,24"/>84 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,212,24"/>
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114 <tr·class="separator:a4545a5211f8637b53c83cc8ea0f3aff1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>114 <tr·class="separator:a4545a5211f8637b53c83cc8ea0f3aff1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
115 <tr·class="memitem:a829dd347801e27f7b37323e4c14c6083"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/de0/a07562.html#a829dd347801e27f7b37323e4c14c6083">chooseColor</a>·()</td></tr>115 <tr·class="memitem:a829dd347801e27f7b37323e4c14c6083"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/de0/a07562.html#a829dd347801e27f7b37323e4c14c6083">chooseColor</a>·()</td></tr>
116 <tr·class="separator:a829dd347801e27f7b37323e4c14c6083"><td·class="memSeparator"·colspan="2">&#160;</td></tr>116 <tr·class="separator:a829dd347801e27f7b37323e4c14c6083"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
117 </table>117 </table>
118 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>118 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
119 <div·class="textblock"><p·>Dialog·for·creating·contour·surfaces·from·RegularData3D·</p>119 <div·class="textblock"><p·>Dialog·for·creating·contour·surfaces·from·RegularData3D·</p>
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d6c/a01349_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../de/d6c/a01349_source.html">contourSurfaceDialog.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01301_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d3/d07/a01301_source.html">contourSurfaceDialog.h</a>.</p>
121 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>121 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
122 <a·id="ae311362cd30d7b0a141b39e2590f68aa"·name="ae311362cd30d7b0a141b39e2590f68aa"></a>122 <a·id="ae311362cd30d7b0a141b39e2590f68aa"·name="ae311362cd30d7b0a141b39e2590f68aa"></a>
123 <h2·class="memtitle"><span·class="permalink"><a·href="#ae311362cd30d7b0a141b39e2590f68aa">&#9670;&nbsp;</a></span>ContourSurfaceDialog()</h2>123 <h2·class="memtitle"><span·class="permalink"><a·href="#ae311362cd30d7b0a141b39e2590f68aa">&#9670;&nbsp;</a></span>ContourSurfaceDialog()</h2>
  
124 <div·class="memitem">124 <div·class="memitem">
125 <div·class="memproto">125 <div·class="memproto">
126 ······<table·class="memname">126 ······<table·class="memname">
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287 ··</td>287 ··</td>
288 ··<td·class="mlabels-right">288 ··<td·class="mlabels-right">
289 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>289 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
290 ··</tr>290 ··</tr>
291 </table>291 </table>
292 </div><div·class="memdoc">292 </div><div·class="memdoc">
  
293 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d6c/a01349_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../de/d6c/a01349_source.html">contourSurfaceDialog.h</a>.</p>293 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01301_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../d3/d07/a01301_source.html">contourSurfaceDialog.h</a>.</p>
  
294 </div>294 </div>
295 </div>295 </div>
296 <a·id="a45dee7dbc0f43ec37cab52fd3b2c8795"·name="a45dee7dbc0f43ec37cab52fd3b2c8795"></a>296 <a·id="a45dee7dbc0f43ec37cab52fd3b2c8795"·name="a45dee7dbc0f43ec37cab52fd3b2c8795"></a>
297 <h2·class="memtitle"><span·class="permalink"><a·href="#a45dee7dbc0f43ec37cab52fd3b2c8795">&#9670;&nbsp;</a></span>setGrid()</h2>297 <h2·class="memtitle"><span·class="permalink"><a·href="#a45dee7dbc0f43ec37cab52fd3b2c8795">&#9670;&nbsp;</a></span>setGrid()</h2>
  
298 <div·class="memitem">298 <div·class="memitem">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../d6/d39/a05439.html">List·of·all·members</a>··</div>71 <a·href="../../d6/d39/a05439.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ResidueTorsions·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ResidueTorsions·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d60/a00818_source.html">BALL/MOLMEC/PARAMETER/residueTorsions.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d7d/a00161_source.html">BALL/MOLMEC/PARAMETER/residueTorsions.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::ResidueTorsions:</div>77 Inheritance·diagram·for·BALL::ResidueTorsions:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d4/de2/a05442.png"·usemap="#BALL::ResidueTorsions_map"·alt=""/>80 ··<img·src="../../d4/de2/a05442.png"·usemap="#BALL::ResidueTorsions_map"·alt=""/>
81 ··<map·id="BALL::ResidueTorsions_map"·name="BALL::ResidueTorsions_map">81 ··<map·id="BALL::ResidueTorsions_map"·name="BALL::ResidueTorsions_map">
82 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>82 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>
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181 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>181 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
182 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>182 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>
183 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>183 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
184 </table>184 </table>
185 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>185 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
186 <div·class="textblock"><p·>Parameter·class·containing·all·proper·torsions·occuring·in·a·residue.·Several·force·fields·(e.g.·CHARMM)·do·not·necessarily·consider·or·parametrize·all·occurring·torsions·but·explicitly·list·the·torsions·for·each·residue.·This·parameter·section·is·used·to·represent·this·list.·The·class·AMBER·and·CHARMM·torsions·components·check·for·the·presence·of·the·parameter·section·[<a·class="el"·href="../../d4/de2/a05442.html">ResidueTorsions</a>]·and·then·decide·whether·they·have·to·generate·the·torsions·by·itself·(creating·all·torsions·and·complaining·about·missing·parameters)·or·whether·they·have·to·read·them·from·this·section.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>186 <div·class="textblock"><p·>Parameter·class·containing·all·proper·torsions·occuring·in·a·residue.·Several·force·fields·(e.g.·CHARMM)·do·not·necessarily·consider·or·parametrize·all·occurring·torsions·but·explicitly·list·the·torsions·for·each·residue.·This·parameter·section·is·used·to·represent·this·list.·The·class·AMBER·and·CHARMM·torsions·components·check·for·the·presence·of·the·parameter·section·[<a·class="el"·href="../../d4/de2/a05442.html">ResidueTorsions</a>]·and·then·decide·whether·they·have·to·generate·the·torsions·by·itself·(creating·all·torsions·and·complaining·about·missing·parameters)·or·whether·they·have·to·read·them·from·this·section.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
187 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d60/a00818_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d3/d60/a00818_source.html">residueTorsions.h</a>.</p>187 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d7d/a00161_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d6/d7d/a00161_source.html">residueTorsions.h</a>.</p>
188 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>188 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
189 <a·id="a3cfa4c3d4d835c44e71a080f32a5cc23"·name="a3cfa4c3d4d835c44e71a080f32a5cc23"></a>189 <a·id="a3cfa4c3d4d835c44e71a080f32a5cc23"·name="a3cfa4c3d4d835c44e71a080f32a5cc23"></a>
190 <h2·class="memtitle"><span·class="permalink"><a·href="#a3cfa4c3d4d835c44e71a080f32a5cc23">&#9670;&nbsp;</a></span>ResidueTorsions()</h2>190 <h2·class="memtitle"><span·class="permalink"><a·href="#a3cfa4c3d4d835c44e71a080f32a5cc23">&#9670;&nbsp;</a></span>ResidueTorsions()</h2>
  
191 <div·class="memitem">191 <div·class="memitem">
192 <div·class="memproto">192 <div·class="memproto">
193 ······<table·class="memname">193 ······<table·class="memname">
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460 ··</td>460 ··</td>
461 ··<td·class="mlabels-right">461 ··<td·class="mlabels-right">
462 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>462 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
463 ··</tr>463 ··</tr>
464 </table>464 </table>
465 </div><div·class="memdoc">465 </div><div·class="memdoc">
  
466 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d60/a00818_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../d3/d60/a00818_source.html">residueTorsions.h</a>.</p>466 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d7d/a00161_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../d6/d7d/a00161_source.html">residueTorsions.h</a>.</p>
  
467 </div>467 </div>
468 </div>468 </div>
469 <a·id="a19f11a2fbddfa25c3b36faf789ab1d83"·name="a19f11a2fbddfa25c3b36faf789ab1d83"></a>469 <a·id="a19f11a2fbddfa25c3b36faf789ab1d83"·name="a19f11a2fbddfa25c3b36faf789ab1d83"></a>
470 <h2·class="memtitle"><span·class="permalink"><a·href="#a19f11a2fbddfa25c3b36faf789ab1d83">&#9670;&nbsp;</a></span>torsions_</h2>470 <h2·class="memtitle"><span·class="permalink"><a·href="#a19f11a2fbddfa25c3b36faf789ab1d83">&#9670;&nbsp;</a></span>torsions_</h2>
  
471 <div·class="memitem">471 <div·class="memitem">
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484 ··</td>484 ··</td>
485 ··<td·class="mlabels-right">485 ··<td·class="mlabels-right">
486 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>486 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
487 ··</tr>487 ··</tr>
488 </table>488 </table>
489 </div><div·class="memdoc">489 </div><div·class="memdoc">
  
490 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d60/a00818_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../d3/d60/a00818_source.html">residueTorsions.h</a>.</p>490 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d7d/a00161_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../d6/d7d/a00161_source.html">residueTorsions.h</a>.</p>
  
491 </div>491 </div>
492 </div>492 </div>
493 </div><!--·contents·-->493 </div><!--·contents·-->
494 <!--·start·footer·part·-->494 <!--·start·footer·part·-->
495 <hr·class="footer"/><address·class="footer"><small>495 <hr·class="footer"/><address·class="footer"><small>
496 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4496 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d5/da0/a05575.html">List·of·all·members</a>··</div>71 <a·href="../../d5/da0/a05575.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PyCAPIKernel·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PyCAPIKernel·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/db1/a00140_source.html">BALL/PYTHON/pyCAPIKernel.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d8/d23/a00326_source.html">BALL/PYTHON/pyCAPIKernel.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::PyCAPIKernel:</div>77 Inheritance·diagram·for·BALL::PyCAPIKernel:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d4/de2/a05578.png"·usemap="#BALL::PyCAPIKernel_map"·alt=""/>80 ··<img·src="../../d4/de2/a05578.png"·usemap="#BALL::PyCAPIKernel_map"·alt=""/>
81 ··<map·id="BALL::PyCAPIKernel_map"·name="BALL::PyCAPIKernel_map">81 ··<map·id="BALL::PyCAPIKernel_map"·name="BALL::PyCAPIKernel_map">
82 <area·href="../../d4/d20/a05586.html"·alt="BALL::PyKernel"·shape="rect"·coords="0,0,130,24"/>82 <area·href="../../d4/d20/a05586.html"·alt="BALL::PyKernel"·shape="rect"·coords="0,0,130,24"/>
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123 <tr·class="separator:a4be98ec88ca6215d67a248f61a31d3df·inherit·pub_types_a05586"><td·class="memSeparator"·colspan="2">&#160;</td></tr>123 <tr·class="separator:a4be98ec88ca6215d67a248f61a31d3df·inherit·pub_types_a05586"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
124 <tr·class="inherit_header·pro_methods_a05586"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a05586')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d20/a05586.html">BALL::PyKernel</a></td></tr>124 <tr·class="inherit_header·pro_methods_a05586"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a05586')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d20/a05586.html">BALL::PyKernel</a></td></tr>
125 <tr·class="memitem:a5b2b193d07a4097cb745974c7daecb93·inherit·pro_methods_a05586"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d20/a05586.html#a5b2b193d07a4097cb745974c7daecb93">loadScriptDir</a>·()</td></tr>125 <tr·class="memitem:a5b2b193d07a4097cb745974c7daecb93·inherit·pro_methods_a05586"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d20/a05586.html#a5b2b193d07a4097cb745974c7daecb93">loadScriptDir</a>·()</td></tr>
126 <tr·class="separator:a5b2b193d07a4097cb745974c7daecb93·inherit·pro_methods_a05586"><td·class="memSeparator"·colspan="2">&#160;</td></tr>126 <tr·class="separator:a5b2b193d07a4097cb745974c7daecb93·inherit·pro_methods_a05586"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
127 </table>127 </table>
128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
129 <div·class="textblock">129 <div·class="textblock">
130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db1/a00140_source.html#l00010">10</a>·of·file·<a·class="el"·href="../../d5/db1/a00140_source.html">pyCAPIKernel.h</a>.</p>130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d23/a00326_source.html#l00010">10</a>·of·file·<a·class="el"·href="../../d8/d23/a00326_source.html">pyCAPIKernel.h</a>.</p>
131 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>131 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
132 <a·id="adbc0dfaf8d094f51b07375d6bf67d9e4"·name="adbc0dfaf8d094f51b07375d6bf67d9e4"></a>132 <a·id="adbc0dfaf8d094f51b07375d6bf67d9e4"·name="adbc0dfaf8d094f51b07375d6bf67d9e4"></a>
133 <h2·class="memtitle"><span·class="permalink"><a·href="#adbc0dfaf8d094f51b07375d6bf67d9e4">&#9670;&nbsp;</a></span>PyCAPIKernel()</h2>133 <h2·class="memtitle"><span·class="permalink"><a·href="#adbc0dfaf8d094f51b07375d6bf67d9e4">&#9670;&nbsp;</a></span>PyCAPIKernel()</h2>
  
134 <div·class="memitem">134 <div·class="memitem">
135 <div·class="memproto">135 <div·class="memproto">
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249 </table>249 </table>
250 </div><div·class="memdoc">250 </div><div·class="memdoc">
251 <p·>Returns·the·most·recent·error·message·emitted·by·the·Python·interpreter.</p>251 <p·>Returns·the·most·recent·error·message·emitted·by·the·Python·interpreter.</p>
252 <dl·class="section·return"><dt>Returns</dt><dd>most·recent·error·message·</dd></dl>252 <dl·class="section·return"><dt>Returns</dt><dd>most·recent·error·message·</dd></dl>
  
253 <p>Implements·<a·class="el"·href="../../d4/d20/a05586.html#ad26b45c0825d3ed1ea348a3976fe8def">BALL::PyKernel</a>.</p>253 <p>Implements·<a·class="el"·href="../../d4/d20/a05586.html#ad26b45c0825d3ed1ea348a3976fe8def">BALL::PyKernel</a>.</p>
  
254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db1/a00140_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d5/db1/a00140_source.html">pyCAPIKernel.h</a>.</p>254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d23/a00326_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d8/d23/a00326_source.html">pyCAPIKernel.h</a>.</p>
  
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258 <h2·class="memtitle"><span·class="permalink"><a·href="#ae95e736d9b48e5a4b53b83eae1042f5f">&#9670;&nbsp;</a></span>isStarted()</h2>258 <h2·class="memtitle"><span·class="permalink"><a·href="#ae95e736d9b48e5a4b53b83eae1042f5f">&#9670;&nbsp;</a></span>isStarted()</h2>
  
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72 <a·href="../../da/de7/a04983.html">List·of·all·members</a>··</div>72 <a·href="../../da/de7/a04983.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::CESwildcardsPredicate·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::CESwildcardsPredicate·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d5/d16/a00029_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
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79 <div·class="dyncontent">79 <div·class="dyncontent">
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166 </table>166 </table>
167 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>167 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
168 <div·class="textblock">168 <div·class="textblock">
169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00233">233</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">GAFFCESParser.h</a>.</p>169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00233">233</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
170 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>170 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
171 <a·id="a5b0b2c3c40fddc18d62ebeade127ace3"·name="a5b0b2c3c40fddc18d62ebeade127ace3"></a>171 <a·id="a5b0b2c3c40fddc18d62ebeade127ace3"·name="a5b0b2c3c40fddc18d62ebeade127ace3"></a>
172 <h2·class="memtitle"><span·class="permalink"><a·href="#a5b0b2c3c40fddc18d62ebeade127ace3">&#9670;&nbsp;</a></span>CESwildcardsPredicate()</h2>172 <h2·class="memtitle"><span·class="permalink"><a·href="#a5b0b2c3c40fddc18d62ebeade127ace3">&#9670;&nbsp;</a></span>CESwildcardsPredicate()</h2>
  
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194 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00236">236</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">GAFFCESParser.h</a>.</p>194 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00236">236</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
195 </div>195 </div>
196 </div>196 </div>
197 <a·id="a11d949ebd6cb77e5a36701e6d445f608"·name="a11d949ebd6cb77e5a36701e6d445f608"></a>197 <a·id="a11d949ebd6cb77e5a36701e6d445f608"·name="a11d949ebd6cb77e5a36701e6d445f608"></a>
198 <h2·class="memtitle"><span·class="permalink"><a·href="#a11d949ebd6cb77e5a36701e6d445f608">&#9670;&nbsp;</a></span>~CESwildcardsPredicate()</h2>198 <h2·class="memtitle"><span·class="permalink"><a·href="#a11d949ebd6cb77e5a36701e6d445f608">&#9670;&nbsp;</a></span>~CESwildcardsPredicate()</h2>
  
199 <div·class="memitem">199 <div·class="memitem">
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312 ··</td>312 ··</td>
313 ··<td·class="mlabels-right">313 ··<td·class="mlabels-right">
314 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>314 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
315 ··</tr>315 ··</tr>
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318 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00249">249</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">GAFFCESParser.h</a>.</p>318 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00249">249</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
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73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
74 <a·href="../../d8/d0e/a08483.html">List·of·all·members</a>··</div>74 <a·href="../../d8/d0e/a08483.html">List·of·all·members</a>··</div>
75 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PDBInfoEditorWidget·Class·Reference</div></div>75 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PDBInfoEditorWidget·Class·Reference</div></div>
76 </div><!--header-->76 </div><!--header-->
77 <div·class="contents">77 <div·class="contents">
  
78 <p><code>#include·&lt;<a·class="el"·href="../../d7/def/a01538_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
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81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../d4/de6/a08486.png"·usemap="#BALL::VIEW::PDBInfoEditorWidget_map"·alt=""/>83 ··<img·src="../../d4/de6/a08486.png"·usemap="#BALL::VIEW::PDBInfoEditorWidget_map"·alt=""/>
84 ··<map·id="BALL::VIEW::PDBInfoEditorWidget_map"·name="BALL::VIEW::PDBInfoEditorWidget_map">84 ··<map·id="BALL::VIEW::PDBInfoEditorWidget_map"·name="BALL::VIEW::PDBInfoEditorWidget_map">
85 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,203,80"/>85 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,203,80"/>
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146 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>146 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>
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149 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>149 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
150 <div·class="textblock">150 <div·class="textblock">
151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00241">241</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">propertyEditor.h</a>.</p>151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00241">241</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
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72 ··<div·class="headertitle"><div·class="title">BALL::FalsePredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::FalsePredicate·Class·Reference</div></div>
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74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
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78 <div·class="dyncontent">78 <div·class="dyncontent">
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120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>False·predicate.·This·predicate·may·be·used·to·implement·default·rules.·It·is·always·<b>false</b>.·</p>122 <div·class="textblock"><p·>False·predicate.·This·predicate·may·be·used·to·implement·default·rules.·It·is·always·<b>false</b>.·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00071">71</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00071">71</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
125 <a·id="a5f960887a77bb82012c1f5bbbc5a76cb"·name="a5f960887a77bb82012c1f5bbbc5a76cb"></a>125 <a·id="a5f960887a77bb82012c1f5bbbc5a76cb"·name="a5f960887a77bb82012c1f5bbbc5a76cb"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a5f960887a77bb82012c1f5bbbc5a76cb">&#9670;&nbsp;</a></span>operator()()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a5f960887a77bb82012c1f5bbbc5a76cb">&#9670;&nbsp;</a></span>operator()()</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
128 <div·class="memproto">128 <div·class="memproto">
129 <table·class="mlabels">129 <table·class="mlabels">
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="#pub-types">Public·Types</a>·&#124;71 <a·href="#pub-types">Public·Types</a>·&#124;
72 <a·href="../../d7/d41/a05427.html">List·of·all·members</a>··</div>72 <a·href="../../d7/d41/a05427.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::QuadraticImproperTorsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::QuadraticImproperTorsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d5/d12/a00794_source.html">BALL/MOLMEC/PARAMETER/quadraticImproperTorsion.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../da/d1e/a00149_source.html">BALL/MOLMEC/PARAMETER/quadraticImproperTorsion.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::QuadraticImproperTorsion:</div>78 Inheritance·diagram·for·BALL::QuadraticImproperTorsion:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d4/de8/a05430.png"·usemap="#BALL::QuadraticImproperTorsion_map"·alt=""/>81 ··<img·src="../../d4/de8/a05430.png"·usemap="#BALL::QuadraticImproperTorsion_map"·alt=""/>
82 ··<map·id="BALL::QuadraticImproperTorsion_map"·name="BALL::QuadraticImproperTorsion_map">82 ··<map·id="BALL::QuadraticImproperTorsion_map"·name="BALL::QuadraticImproperTorsion_map">
83 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,197,24"/>83 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,197,24"/>
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200 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>200 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
201 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>201 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>
202 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>202 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
203 </table>203 </table>
204 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>204 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
205 <div·class="textblock"><p·><a·class="el"·href="../../d4/de8/a05430.html">QuadraticImproperTorsion</a>.·</p>205 <div·class="textblock"><p·><a·class="el"·href="../../d4/de8/a05430.html">QuadraticImproperTorsion</a>.·</p>
  
206 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">quadraticImproperTorsion.h</a>.</p>206 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d1e/a00149_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../da/d1e/a00149_source.html">quadraticImproperTorsion.h</a>.</p>
207 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>207 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
208 <a·id="a4cf043bddf6335c3d30572458ac061d4"·name="a4cf043bddf6335c3d30572458ac061d4"></a>208 <a·id="a4cf043bddf6335c3d30572458ac061d4"·name="a4cf043bddf6335c3d30572458ac061d4"></a>
209 <h2·class="memtitle"><span·class="permalink"><a·href="#a4cf043bddf6335c3d30572458ac061d4">&#9670;&nbsp;</a></span>anonymous·enum</h2>209 <h2·class="memtitle"><span·class="permalink"><a·href="#a4cf043bddf6335c3d30572458ac061d4">&#9670;&nbsp;</a></span>anonymous·enum</h2>
  
210 <div·class="memitem">210 <div·class="memitem">
211 <div·class="memproto">211 <div·class="memproto">
212 ······<table·class="memname">212 ······<table·class="memname">
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217 ········</tr>217 ········</tr>
218 ······</table>218 ······</table>
219 </div><div·class="memdoc">219 </div><div·class="memdoc">
220 <table·class="fieldtable">220 <table·class="fieldtable">
221 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a4cf043bddf6335c3d30572458ac061d4a711883f87b3665cc46e1c1c324019bd4"·name="a4cf043bddf6335c3d30572458ac061d4a711883f87b3665cc46e1c1c324019bd4"></a>UNKNOWN&#160;</td><td·class="fielddoc"></td></tr>221 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a4cf043bddf6335c3d30572458ac061d4a711883f87b3665cc46e1c1c324019bd4"·name="a4cf043bddf6335c3d30572458ac061d4a711883f87b3665cc46e1c1c324019bd4"></a>UNKNOWN&#160;</td><td·class="fielddoc"></td></tr>
222 </table>222 </table>
  
223 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">quadraticImproperTorsion.h</a>.</p>223 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d1e/a00149_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../da/d1e/a00149_source.html">quadraticImproperTorsion.h</a>.</p>
  
224 </div>224 </div>
225 </div>225 </div>
226 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>226 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
227 <a·id="a1419c2d3bdece8c4f7ef9205301b9b72"·name="a1419c2d3bdece8c4f7ef9205301b9b72"></a>227 <a·id="a1419c2d3bdece8c4f7ef9205301b9b72"·name="a1419c2d3bdece8c4f7ef9205301b9b72"></a>
228 <h2·class="memtitle"><span·class="permalink"><a·href="#a1419c2d3bdece8c4f7ef9205301b9b72">&#9670;&nbsp;</a></span>QuadraticImproperTorsion()·<span·class="overload">[1/2]</span></h2>228 <h2·class="memtitle"><span·class="permalink"><a·href="#a1419c2d3bdece8c4f7ef9205301b9b72">&#9670;&nbsp;</a></span>QuadraticImproperTorsion()·<span·class="overload">[1/2]</span></h2>
  
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575 ··</td>575 ··</td>
576 ··<td·class="mlabels-right">576 ··<td·class="mlabels-right">
577 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>577 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
578 ··</tr>578 ··</tr>
579 </table>579 </table>
580 </div><div·class="memdoc">580 </div><div·class="memdoc">
  
581 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00148">148</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">quadraticImproperTorsion.h</a>.</p>581 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d1e/a00149_source.html#l00148">148</a>·of·file·<a·class="el"·href="../../da/d1e/a00149_source.html">quadraticImproperTorsion.h</a>.</p>
  
582 </div>582 </div>
583 </div>583 </div>
584 <a·id="a0f555c2317056a071ef07bba9ca5781f"·name="a0f555c2317056a071ef07bba9ca5781f"></a>584 <a·id="a0f555c2317056a071ef07bba9ca5781f"·name="a0f555c2317056a071ef07bba9ca5781f"></a>
585 <h2·class="memtitle"><span·class="permalink"><a·href="#a0f555c2317056a071ef07bba9ca5781f">&#9670;&nbsp;</a></span>torsion_hash_map_</h2>585 <h2·class="memtitle"><span·class="permalink"><a·href="#a0f555c2317056a071ef07bba9ca5781f">&#9670;&nbsp;</a></span>torsion_hash_map_</h2>
  
586 <div·class="memitem">586 <div·class="memitem">
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599 ··</td>599 ··</td>
600 ··<td·class="mlabels-right">600 ··<td·class="mlabels-right">
601 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>601 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
602 ··</tr>602 ··</tr>
603 </table>603 </table>
604 </div><div·class="memdoc">604 </div><div·class="memdoc">
  
605 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">quadraticImproperTorsion.h</a>.</p>605 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d1e/a00149_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../da/d1e/a00149_source.html">quadraticImproperTorsion.h</a>.</p>
  
606 </div>606 </div>
607 </div>607 </div>
608 <a·id="a057ac3feb75c8bcae324afda27467d2d"·name="a057ac3feb75c8bcae324afda27467d2d"></a>608 <a·id="a057ac3feb75c8bcae324afda27467d2d"·name="a057ac3feb75c8bcae324afda27467d2d"></a>
609 <h2·class="memtitle"><span·class="permalink"><a·href="#a057ac3feb75c8bcae324afda27467d2d">&#9670;&nbsp;</a></span>torsions_</h2>609 <h2·class="memtitle"><span·class="permalink"><a·href="#a057ac3feb75c8bcae324afda27467d2d">&#9670;&nbsp;</a></span>torsions_</h2>
  
610 <div·class="memitem">610 <div·class="memitem">
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623 ··</td>623 ··</td>
624 ··<td·class="mlabels-right">624 ··<td·class="mlabels-right">
625 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>625 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
626 ··</tr>626 ··</tr>
627 </table>627 </table>
628 </div><div·class="memdoc">628 </div><div·class="memdoc">
  
629 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00150">150</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">quadraticImproperTorsion.h</a>.</p>629 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d1e/a00149_source.html#l00150">150</a>·of·file·<a·class="el"·href="../../da/d1e/a00149_source.html">quadraticImproperTorsion.h</a>.</p>
  
630 </div>630 </div>
631 </div>631 </div>
632 </div><!--·contents·-->632 </div><!--·contents·-->
633 <!--·start·footer·part·-->633 <!--·start·footer·part·-->
634 <hr·class="footer"/><address·class="footer"><small>634 <hr·class="footer"/><address·class="footer"><small>
635 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4635 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="../../dc/d12/a04723.html">List·of·all·members</a>··</div>72 <a·href="../../dc/d12/a04723.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::AromaticBondsPredicate·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::AromaticBondsPredicate·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::AromaticBondsPredicate:</div>78 Inheritance·diagram·for·BALL::AromaticBondsPredicate:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d4/dea/a04726.png"·usemap="#BALL::AromaticBondsPredicate_map"·alt=""/>81 ··<img·src="../../d4/dea/a04726.png"·usemap="#BALL::AromaticBondsPredicate_map"·alt=""/>
82 ··<map·id="BALL::AromaticBondsPredicate_map"·name="BALL::AromaticBondsPredicate_map">82 ··<map·id="BALL::AromaticBondsPredicate_map"·name="BALL::AromaticBondsPredicate_map">
83 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>83 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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124 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>124 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
125 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>125 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
126 </table>126 </table>
127 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>127 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
128 <div·class="textblock"><p·>Predicate·class·for·atoms·bearing·a·certain·number·of·aromatic·bonds.·Arguments·of·this·class·are·<b>·required·</b>·to·consist·of·an·relational·operator·and·a·number·between·1·and·8.·The·default·is·"&gt;0"·which·means·that·the·atom·under·siege·has·to·bear·at·least·one·aromatic·bond·to·make·this·predicate's·operator·()·()·return·true.</p>128 <div·class="textblock"><p·>Predicate·class·for·atoms·bearing·a·certain·number·of·aromatic·bonds.·Arguments·of·this·class·are·<b>·required·</b>·to·consist·of·an·relational·operator·and·a·number·between·1·and·8.·The·default·is·"&gt;0"·which·means·that·the·atom·under·siege·has·to·bear·at·least·one·aromatic·bond·to·make·this·predicate's·operator·()·()·return·true.</p>
129 <p·>A·bond·is·defined·as·aromatic·if·it·has·the·property·<a·class="el"·href="../../df/dd2/a04486.html#a540773792a75171b48b4257124cf626aa53fc04875f0dd9ac50d8b80e68577a27"·title="This·property·can·be·used·to·store·aromaticity·information·without·overwriting·bond·orders.">Bond::IS_AROMATIC</a>·set,·or·if·its·bond·order·equals·<a·class="el"·href="../../df/dd2/a04486.html#aefd4b65ec6f641f9208264223f7104aaa4a2f16aa4119c5937b89272f399efb2a"·title="Aromatic·bonds.">Bond::ORDER__AROMATIC</a>.·</p>129 <p·>A·bond·is·defined·as·aromatic·if·it·has·the·property·<a·class="el"·href="../../df/dd2/a04486.html#a540773792a75171b48b4257124cf626aa53fc04875f0dd9ac50d8b80e68577a27"·title="This·property·can·be·used·to·store·aromaticity·information·without·overwriting·bond·orders.">Bond::IS_AROMATIC</a>·set,·or·if·its·bond·order·equals·<a·class="el"·href="../../df/dd2/a04486.html#aefd4b65ec6f641f9208264223f7104aaa4a2f16aa4119c5937b89272f399efb2a"·title="Aromatic·bonds.">Bond::ORDER__AROMATIC</a>.·</p>
  
130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00439">439</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00439">439</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
131 </div><h2·class="groupheader">Member·Function·Documentation</h2>131 </div><h2·class="groupheader">Member·Function·Documentation</h2>
132 <a·id="aa9844f3c515ecce92c1c95bdd8175de2"·name="aa9844f3c515ecce92c1c95bdd8175de2"></a>132 <a·id="aa9844f3c515ecce92c1c95bdd8175de2"·name="aa9844f3c515ecce92c1c95bdd8175de2"></a>
133 <h2·class="memtitle"><span·class="permalink"><a·href="#aa9844f3c515ecce92c1c95bdd8175de2">&#9670;&nbsp;</a></span>operator()()</h2>133 <h2·class="memtitle"><span·class="permalink"><a·href="#aa9844f3c515ecce92c1c95bdd8175de2">&#9670;&nbsp;</a></span>operator()()</h2>
  
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73 <a·href="../../db/dec/a08427.html">List·of·all·members</a>··</div>73 <a·href="../../db/dec/a08427.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::HTMLViewDock·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::HTMLViewDock·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d3/daa/a01577_source.html">BALL/VIEW/WIDGETS/HTMLView.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d0/d61/a01130_source.html">BALL/VIEW/WIDGETS/HTMLView.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
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82 ··<img·src="../../d4/dea/a08430.png"·usemap="#BALL::VIEW::HTMLViewDock_map"·alt=""/>82 ··<img·src="../../d4/dea/a08430.png"·usemap="#BALL::VIEW::HTMLViewDock_map"·alt=""/>
83 ··<map·id="BALL::VIEW::HTMLViewDock_map"·name="BALL::VIEW::HTMLViewDock_map">83 ··<map·id="BALL::VIEW::HTMLViewDock_map"·name="BALL::VIEW::HTMLViewDock_map">
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288 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>288 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>
289 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>289 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
290 </table>290 </table>
291 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>291 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
292 <div·class="textblock">292 <div·class="textblock">
293 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/daa/a01577_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d3/daa/a01577_source.html">HTMLView.h</a>.</p>293 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d61/a01130_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d0/d61/a01130_source.html">HTMLView.h</a>.</p>
294 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>294 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
295 <a·id="a6a39ee97413602d56ad24be5be8b48a4"·name="a6a39ee97413602d56ad24be5be8b48a4"></a>295 <a·id="a6a39ee97413602d56ad24be5be8b48a4"·name="a6a39ee97413602d56ad24be5be8b48a4"></a>
296 <h2·class="memtitle"><span·class="permalink"><a·href="#a6a39ee97413602d56ad24be5be8b48a4">&#9670;&nbsp;</a></span>HTMLViewDock()·<span·class="overload">[1/2]</span></h2>296 <h2·class="memtitle"><span·class="permalink"><a·href="#a6a39ee97413602d56ad24be5be8b48a4">&#9670;&nbsp;</a></span>HTMLViewDock()·<span·class="overload">[1/2]</span></h2>
  
297 <div·class="memitem">297 <div·class="memitem">
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476 </div>476 </div>
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493 ··</td>493 ··</td>
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499 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/daa/a01577_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../d3/daa/a01577_source.html">HTMLView.h</a>.</p>499 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d61/a01130_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../d0/d61/a01130_source.html">HTMLView.h</a>.</p>
  
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504 <div·class="memitem">504 <div·class="memitem">
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517 ··</td>517 ··</td>
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520 ··</tr>520 ··</tr>
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522 </div><div·class="memdoc">522 </div><div·class="memdoc">
  
523 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/daa/a01577_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../d3/daa/a01577_source.html">HTMLView.h</a>.</p>523 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d61/a01130_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../d0/d61/a01130_source.html">HTMLView.h</a>.</p>
  
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527 <!--·start·footer·part·-->527 <!--·start·footer·part·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">snBModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">pair6_12InteractionEnergyProcessor.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d8b/a02060_source.html">BALL/QSAR/statistics.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../dd/dd7/a00260_source.html">BALL/MATHS/surface.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d8/d98/a02009_source.html">BALL/QSAR/bayesModel.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/ENERGY/energyProcessor.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../dd/de7/a01868_source.html">BALL/STRUCTURE/RDFParameter.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../de/dca/a01907_source.html">BALL/SOLVATION/pair6_12RDFIntegrator.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../d4/d93/a01955_source.html">BALL/SOLVATION/solventDescriptor.h</a>&gt;</code><br·/>
77 </div>81 </div>
78 <p><a·href="../../d4/dec/a01952_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../d4/dec/a01952_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">83 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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 89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/df5/a06502.html">BALL::Pair6_12InteractionEnergyProcessor::Default</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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86 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
91 </table>97 </table>
92 </div><!--·contents·-->98 </div><!--·contents·-->
93 <!--·start·footer·part·-->99 <!--·start·footer·part·-->
94 <hr·class="footer"/><address·class="footer"><small>100 <hr·class="footer"/><address·class="footer"><small>
95 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../d8/dea/a04131.html">List·of·all·members</a>··</div>72 <a·href="../../d8/dea/a04131.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCON06·Struct·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCON06·Struct·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a58a9c62a3888eff8511f52774fb6b2cb"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dec/a04134.html#a58a9c62a3888eff8511f52774fb6b2cb">clear</a>·()</td></tr>80 <tr·class="memitem:a58a9c62a3888eff8511f52774fb6b2cb"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dec/a04134.html#a58a9c62a3888eff8511f52774fb6b2cb">clear</a>·()</td></tr>
81 <tr·class="separator:a58a9c62a3888eff8511f52774fb6b2cb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a58a9c62a3888eff8511f52774fb6b2cb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
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90 <tr·class="memitem:a25337d064abc90de8a96156838286b2a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dec/a04134.html#a25337d064abc90de8a96156838286b2a">atom_serial_number</a></td></tr>90 <tr·class="memitem:a25337d064abc90de8a96156838286b2a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dec/a04134.html#a25337d064abc90de8a96156838286b2a">atom_serial_number</a></td></tr>
91 <tr·class="separator:a25337d064abc90de8a96156838286b2a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a25337d064abc90de8a96156838286b2a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:ac1aba4e764730691e56ca639d69587b4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dec/a04134.html#ac1aba4e764730691e56ca639d69587b4">bond_atom</a>·[4]</td></tr>92 <tr·class="memitem:ac1aba4e764730691e56ca639d69587b4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dec/a04134.html#ac1aba4e764730691e56ca639d69587b4">bond_atom</a>·[4]</td></tr>
93 <tr·class="separator:ac1aba4e764730691e56ca639d69587b4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:ac1aba4e764730691e56ca639d69587b4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>94 </table>
95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock">96 <div·class="textblock">
97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00481">481</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00481">481</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
98 </div><h2·class="groupheader">Member·Function·Documentation</h2>98 </div><h2·class="groupheader">Member·Function·Documentation</h2>
99 <a·id="a58a9c62a3888eff8511f52774fb6b2cb"·name="a58a9c62a3888eff8511f52774fb6b2cb"></a>99 <a·id="a58a9c62a3888eff8511f52774fb6b2cb"·name="a58a9c62a3888eff8511f52774fb6b2cb"></a>
100 <h2·class="memtitle"><span·class="permalink"><a·href="#a58a9c62a3888eff8511f52774fb6b2cb">&#9670;&nbsp;</a></span>clear()</h2>100 <h2·class="memtitle"><span·class="permalink"><a·href="#a58a9c62a3888eff8511f52774fb6b2cb">&#9670;&nbsp;</a></span>clear()</h2>
  
101 <div·class="memitem">101 <div·class="memitem">
102 <div·class="memproto">102 <div·class="memproto">
103 <table·class="mlabels">103 <table·class="mlabels">
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115 ··</td>115 ··</td>
116 ··<td·class="mlabels-right">116 ··<td·class="mlabels-right">
117 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>117 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
118 ··</tr>118 ··</tr>
119 </table>119 </table>
120 </div><div·class="memdoc">120 </div><div·class="memdoc">
  
121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00488">488</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00488">488</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
122 </div>122 </div>
123 </div>123 </div>
124 <h2·class="groupheader">Member·Data·Documentation</h2>124 <h2·class="groupheader">Member·Data·Documentation</h2>
125 <a·id="a25337d064abc90de8a96156838286b2a"·name="a25337d064abc90de8a96156838286b2a"></a>125 <a·id="a25337d064abc90de8a96156838286b2a"·name="a25337d064abc90de8a96156838286b2a"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a25337d064abc90de8a96156838286b2a">&#9670;&nbsp;</a></span>atom_serial_number</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a25337d064abc90de8a96156838286b2a">&#9670;&nbsp;</a></span>atom_serial_number</h2>
  
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133 ········<tr>133 ········<tr>
134 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON06::atom_serial_number</td>134 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON06::atom_serial_number</td>
135 ········</tr>135 ········</tr>
136 ······</table>136 ······</table>
137 </div><div·class="memdoc">137 </div><div·class="memdoc">
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00485">485</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00485">485</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
139 </div>139 </div>
140 </div>140 </div>
141 <a·id="ac1aba4e764730691e56ca639d69587b4"·name="ac1aba4e764730691e56ca639d69587b4"></a>141 <a·id="ac1aba4e764730691e56ca639d69587b4"·name="ac1aba4e764730691e56ca639d69587b4"></a>
142 <h2·class="memtitle"><span·class="permalink"><a·href="#ac1aba4e764730691e56ca639d69587b4">&#9670;&nbsp;</a></span>bond_atom</h2>142 <h2·class="memtitle"><span·class="permalink"><a·href="#ac1aba4e764730691e56ca639d69587b4">&#9670;&nbsp;</a></span>bond_atom</h2>
  
143 <div·class="memitem">143 <div·class="memitem">
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148 ······<table·class="memname">148 ······<table·class="memname">
149 ········<tr>149 ········<tr>
150 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON06::bond_atom[4]</td>150 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON06::bond_atom[4]</td>
151 ········</tr>151 ········</tr>
152 ······</table>152 ······</table>
153 </div><div·class="memdoc">153 </div><div·class="memdoc">
  
154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00486">486</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00486">486</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
155 </div>155 </div>
156 </div>156 </div>
157 <a·id="aec99e16a2a171fac8dc690e64f0be7f3"·name="aec99e16a2a171fac8dc690e64f0be7f3"></a>157 <a·id="aec99e16a2a171fac8dc690e64f0be7f3"·name="aec99e16a2a171fac8dc690e64f0be7f3"></a>
158 <h2·class="memtitle"><span·class="permalink"><a·href="#aec99e16a2a171fac8dc690e64f0be7f3">&#9670;&nbsp;</a></span>record_name</h2>158 <h2·class="memtitle"><span·class="permalink"><a·href="#aec99e16a2a171fac8dc690e64f0be7f3">&#9670;&nbsp;</a></span>record_name</h2>
  
159 <div·class="memitem">159 <div·class="memitem">
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164 ······<table·class="memname">164 ······<table·class="memname">
165 ········<tr>165 ········<tr>
166 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordCON06::record_name</td>166 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordCON06::record_name</td>
167 ········</tr>167 ········</tr>
168 ······</table>168 ······</table>
169 </div><div·class="memdoc">169 </div><div·class="memdoc">
  
170 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00484">484</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>170 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00484">484</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
171 </div>171 </div>
172 </div>172 </div>
173 <a·id="a86e521840d655881bcf74bc7078ca8d0"·name="a86e521840d655881bcf74bc7078ca8d0"></a>173 <a·id="a86e521840d655881bcf74bc7078ca8d0"·name="a86e521840d655881bcf74bc7078ca8d0"></a>
174 <h2·class="memtitle"><span·class="permalink"><a·href="#a86e521840d655881bcf74bc7078ca8d0">&#9670;&nbsp;</a></span>record_type</h2>174 <h2·class="memtitle"><span·class="permalink"><a·href="#a86e521840d655881bcf74bc7078ca8d0">&#9670;&nbsp;</a></span>record_type</h2>
  
175 <div·class="memitem">175 <div·class="memitem">
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181 ········<tr>181 ········<tr>
182 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordCON06::record_type</td>182 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordCON06::record_type</td>
183 ········</tr>183 ········</tr>
184 ······</table>184 ······</table>
185 </div><div·class="memdoc">185 </div><div·class="memdoc">
  
186 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00483">483</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>186 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00483">483</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
187 </div>187 </div>
188 </div>188 </div>
189 </div><!--·contents·-->189 </div><!--·contents·-->
190 <!--·start·footer·part·-->190 <!--·start·footer·part·-->
191 <hr·class="footer"/><address·class="footer"><small>191 <hr·class="footer"/><address·class="footer"><small>
192 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4192 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="../../d4/dc0/a07419.html">List·of·all·members</a>··</div>72 <a·href="../../d4/dc0/a07419.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::SimpleDownloaderHelper::DLThread·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::SimpleDownloaderHelper::DLThread·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d8/d9c/a01733_source.html">BALL/SYSTEM/simpleDownloader.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/SYSTEM/simpleDownloader.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::SimpleDownloaderHelper::DLThread:</div>78 Inheritance·diagram·for·BALL::SimpleDownloaderHelper::DLThread:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d4/dec/a07422.png"·usemap="#BALL::SimpleDownloaderHelper::DLThread_map"·alt=""/>81 ··<img·src="../../d4/dec/a07422.png"·usemap="#BALL::SimpleDownloaderHelper::DLThread_map"·alt=""/>
82 ··<map·id="BALL::SimpleDownloaderHelper::DLThread_map"·name="BALL::SimpleDownloaderHelper::DLThread_map">82 ··<map·id="BALL::SimpleDownloaderHelper::DLThread_map"·name="BALL::SimpleDownloaderHelper::DLThread_map">
83 <area·href="../../d8/d85/a07418.html"·alt="BALL::SimpleDownloaderHelper::HelperThread"·shape="rect"·coords="0,56,276,80"/>83 <area·href="../../d8/d85/a07418.html"·alt="BALL::SimpleDownloaderHelper::HelperThread"·shape="rect"·coords="0,56,276,80"/>
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122 <tr·class="memitem:a4bb57c590d7863fd04558cdec7edb356·inherit·pro_attribs_a07418"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d85/a07418.html#a4bb57c590d7863fd04558cdec7edb356">path_</a></td></tr>122 <tr·class="memitem:a4bb57c590d7863fd04558cdec7edb356·inherit·pro_attribs_a07418"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d85/a07418.html#a4bb57c590d7863fd04558cdec7edb356">path_</a></td></tr>
123 <tr·class="separator:a4bb57c590d7863fd04558cdec7edb356·inherit·pro_attribs_a07418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>123 <tr·class="separator:a4bb57c590d7863fd04558cdec7edb356·inherit·pro_attribs_a07418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
124 <tr·class="memitem:aa745121435c7a9a4fb5c8a67590f7bf4·inherit·pro_attribs_a07418"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d4/da1/a07414.html">SimpleDownloader</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d85/a07418.html#aa745121435c7a9a4fb5c8a67590f7bf4">parent_</a></td></tr>124 <tr·class="memitem:aa745121435c7a9a4fb5c8a67590f7bf4·inherit·pro_attribs_a07418"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d4/da1/a07414.html">SimpleDownloader</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d85/a07418.html#aa745121435c7a9a4fb5c8a67590f7bf4">parent_</a></td></tr>
125 <tr·class="separator:aa745121435c7a9a4fb5c8a67590f7bf4·inherit·pro_attribs_a07418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>125 <tr·class="separator:aa745121435c7a9a4fb5c8a67590f7bf4·inherit·pro_attribs_a07418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
126 </table>126 </table>
127 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>127 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
128 <div·class="textblock">128 <div·class="textblock">
129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d9c/a01733_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../d8/d9c/a01733_source.html">simpleDownloader.h</a>.</p>129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5c/a00752_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../dd/d5c/a00752_source.html">simpleDownloader.h</a>.</p>
130 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>130 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
131 <a·id="abf49c05d69efe6cd9f96276ed2b061d1"·name="abf49c05d69efe6cd9f96276ed2b061d1"></a>131 <a·id="abf49c05d69efe6cd9f96276ed2b061d1"·name="abf49c05d69efe6cd9f96276ed2b061d1"></a>
132 <h2·class="memtitle"><span·class="permalink"><a·href="#abf49c05d69efe6cd9f96276ed2b061d1">&#9670;&nbsp;</a></span>DLThread()·<span·class="overload">[1/2]</span></h2>132 <h2·class="memtitle"><span·class="permalink"><a·href="#abf49c05d69efe6cd9f96276ed2b061d1">&#9670;&nbsp;</a></span>DLThread()·<span·class="overload">[1/2]</span></h2>
  
133 <div·class="memitem">133 <div·class="memitem">
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8 <title>BALL:·MOLFile.h·File·Reference</title>8 <title>BALL:·kernel.h·File·Reference</title>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary"> 
69 <a·href="#nested-classes">Classes</a>·&#124; 
70 <a·href="#namespaces">Namespaces</a>··</div> 
71 ··<div·class="headertitle"><div·class="title">MOLFile.h·File·Reference</div></div>68 ··<div·class="headertitle"><div·class="title">kernel.h·File·Reference</div></div>
72 </div><!--header-->69 </div><!--header-->
73 <div·class="contents">70 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d41/a00038_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>71 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
 72 <code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
 73 <code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>
 74 <code>#include·&lt;<a·class="el"·href="../../d3/d87/a00539_source.html">BALL/KERNEL/chain.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../de/d34/a20344_source.html">BALL/KERNEL/forEach.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d7/d21/a00584_source.html">BALL/KERNEL/fragment.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/KERNEL/global.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d4/d1e/a00497_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d0/d3e/a00566_source.html">BALL/KERNEL/nucleicAcid.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../d6/d06/a00572_source.html">BALL/KERNEL/nucleotide.h</a>&gt;</code><br·/>
 81 <code>#include·&lt;<a·class="el"·href="../../d0/ddb/a00542_source.html">BALL/KERNEL/PDBAtom.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/predicate.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d5/dee/a00518_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d4/de5/a00503_source.html">BALL/KERNEL/PTE.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../db/d44/a00533_source.html">BALL/KERNEL/residue.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00578_source.html">BALL/KERNEL/secondaryStructure.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>87 <code>#include·&lt;<a·class="el"·href="../../d5/d0f/a00494_source.html">BALL/KERNEL/selector.h</a>&gt;</code><br·/>
 88 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
76 </div>89 </div>
77 <p><a·href="../../d4/dee/a00008_source.html">Go·to·the·source·code·of·this·file.</a></p>90 <p><a·href="../../d4/dee/a00008_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls"> 
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
80 Classes</h2></td></tr> 
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d56/a03982.html">BALL::MOLFile</a></td></tr> 
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df2/a03986.html">BALL::MOLFile::Property</a></td></tr> 
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d3b/a03990.html">BALL::MOLFile::CountsStruct</a></td></tr> 
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dc1/a03994.html">BALL::MOLFile::AtomStruct</a></td></tr> 
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d58/a03998.html">BALL::MOLFile::BondStruct</a></td></tr> 
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
91 </table><table·class="memberdecls"> 
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
93 Namespaces</h2></td></tr> 
94 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
96 </table> 
97 </div><!--·contents·-->91 </div><!--·contents·-->
98 <!--·start·footer·part·-->92 <!--·start·footer·part·-->
99 <hr·class="footer"/><address·class="footer"><small>93 <hr·class="footer"/><address·class="footer"><small>
100 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.494 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../dc/df8/a08263.html">List·of·all·members</a>··</div>71 <a·href="../../dc/df8/a08263.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLRenderer::WrongModes·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLRenderer::WrongModes·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../da/d20/a01160_source.html">BALL/VIEW/RENDERING/RENDERERS/glRenderer.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d3/dbc/a01451_source.html">BALL/VIEW/RENDERING/RENDERERS/glRenderer.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::GLRenderer::WrongModes:</div>77 Inheritance·diagram·for·BALL::VIEW::GLRenderer::WrongModes:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d4/df2/a08266.png"·usemap="#BALL::VIEW::GLRenderer::WrongModes_map"·alt=""/>80 ··<img·src="../../d4/df2/a08266.png"·usemap="#BALL::VIEW::GLRenderer::WrongModes_map"·alt=""/>
81 ··<map·id="BALL::VIEW::GLRenderer::WrongModes_map"·name="BALL::VIEW::GLRenderer::WrongModes_map">81 ··<map·id="BALL::VIEW::GLRenderer::WrongModes_map"·name="BALL::VIEW::GLRenderer::WrongModes_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,236,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,236,80"/>
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131 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>131 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·><a·class="el"·href="../../d4/df2/a08266.html">WrongModes</a>·<a·class="el"·href="../../de/d59/a02219.html">Exception</a>·class.·This·exeption·will·be·thrown·if·the·<b>·drawing_precision_</b>·or·<b>·drawing_mode_</b>·are·not·allowed.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html#a398de7f7a5d657c9a635f52d13a38c6d"·title="Default·constructor.">GeneralException</a>·</dd></dl>136 <div·class="textblock"><p·><a·class="el"·href="../../d4/df2/a08266.html">WrongModes</a>·<a·class="el"·href="../../de/d59/a02219.html">Exception</a>·class.·This·exeption·will·be·thrown·if·the·<b>·drawing_precision_</b>·or·<b>·drawing_mode_</b>·are·not·allowed.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html#a398de7f7a5d657c9a635f52d13a38c6d"·title="Default·constructor.">GeneralException</a>·</dd></dl>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d20/a01160_source.html#l00111">111</a>·of·file·<a·class="el"·href="../../da/d20/a01160_source.html">glRenderer.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbc/a01451_source.html#l00111">111</a>·of·file·<a·class="el"·href="../../d3/dbc/a01451_source.html">glRenderer.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="a08c1b92bcda98c679d4b82c18fddba5c"·name="a08c1b92bcda98c679d4b82c18fddba5c"></a>139 <a·id="a08c1b92bcda98c679d4b82c18fddba5c"·name="a08c1b92bcda98c679d4b82c18fddba5c"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a08c1b92bcda98c679d4b82c18fddba5c">&#9670;&nbsp;</a></span>WrongModes()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a08c1b92bcda98c679d4b82c18fddba5c">&#9670;&nbsp;</a></span>WrongModes()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
142 <div·class="memproto">142 <div·class="memproto">
143 ······<table·class="memname">143 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../dc/dec/a03063.html">List·of·all·members</a>··</div>71 <a·href="../../dc/dec/a03063.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidArgument·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidArgument·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Exception::InvalidArgument:</div>77 Inheritance·diagram·for·BALL::Exception::InvalidArgument:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d4/df3/a03066.png"·usemap="#BALL::Exception::InvalidArgument_map"·alt=""/>80 ··<img·src="../../d4/df3/a03066.png"·usemap="#BALL::Exception::InvalidArgument_map"·alt=""/>
81 ··<map·id="BALL::Exception::InvalidArgument_map"·name="BALL::Exception::InvalidArgument_map">81 ··<map·id="BALL::Exception::InvalidArgument_map"·name="BALL::Exception::InvalidArgument_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>Invalid·Argument·Use·this·exception·when·a·function·is·called·with·an·invalid·argument·and·no·other·exception·applies.·</p>136 <div·class="textblock"><p·>Invalid·Argument·Use·this·exception·when·a·function·is·called·with·an·invalid·argument·and·no·other·exception·applies.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00177">177</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00177">177</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="a75c10b335ec78ef8c8e6c3d7240be0f9"·name="a75c10b335ec78ef8c8e6c3d7240be0f9"></a>139 <a·id="a75c10b335ec78ef8c8e6c3d7240be0f9"·name="a75c10b335ec78ef8c8e6c3d7240be0f9"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a75c10b335ec78ef8c8e6c3d7240be0f9">&#9670;&nbsp;</a></span>InvalidArgument()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a75c10b335ec78ef8c8e6c3d7240be0f9">&#9670;&nbsp;</a></span>InvalidArgument()</h2>
  
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9b1ba56f93d5f2332ce0debc4bc04e32.html">SYSTEM</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#typedef-members">Typedefs</a>·&#124; 
72 <a·href="#func-members">Functions</a>··</div> 
73 ··<div·class="headertitle"><div·class="title">simpleMolecularGraph.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">timer.h·File·Reference</div></div>
74 </div><!--header-->72 </div><!--header-->
75 <div·class="contents">73 <div·class="contents">
76 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d5/db5/a00374_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../d8/ddd/a00380_source.html">BALL/KERNEL/fragment.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;list&gt;</code><br·/> 
81 <code>#include·&lt;iostream&gt;</code><br·/>75 <code>#include·&lt;iostream&gt;</code><br·/>
82 <code>#include·&lt;algorithm&gt;</code><br·/>76 <code>#include·&quot;timer.iC&quot;</code><br·/>
83 </div>77 </div>
84 <p><a·href="../../d4/dfa/a00746_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d4/dfa/a00746_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">79 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>81 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d4b/a07198.html">BALL::NodeItem&lt;·Node,·Edge·&gt;</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/ddb/a07442.html">BALL::Timer</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d41/a07190.html">BALL::EdgeItem&lt;·Node,·Edge·&gt;</a></td></tr> 
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d53/a07194.html">BALL::TSimpleMolecularGraph&lt;·Node,·Edge·&gt;</a></td></tr> 
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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99 </table><table·class="memberdecls"> 
100 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
101 Typedefs</h2></td></tr> 
102 <tr·class="memitem:a864699ed539e1492d22139c91455f0c1"><td·class="memItemLeft"·align="right"·valign="top">typedef·TSimpleMolecularGraph&lt;·Index,·Index·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a864699ed539e1492d22139c91455f0c1">BALL::SimpleMolecularGraph</a></td></tr> 
103 <tr·class="separator:a864699ed539e1492d22139c91455f0c1"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
104 </table><table·class="memberdecls"> 
105 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
106 Functions</h2></td></tr> 
107 <tr·class="memitem:a399427fdc7154bc4886024dee24d4b9f"><td·class="memTemplParams"·colspan="2">template&lt;typename·Node·,·typename·Edge·&gt;·</td></tr> 
108 <tr·class="memitem:a399427fdc7154bc4886024dee24d4b9f"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a399427fdc7154bc4886024dee24d4b9f">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;os,·const·TSimpleMolecularGraph&lt;·Node,·Edge·&gt;·&amp;G)</td></tr> 
109 <tr·class="separator:a399427fdc7154bc4886024dee24d4b9f"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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114 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.493 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="../../dd/d16/a06179.html">List·of·all·members</a>··</div>72 <a·href="../../dd/d16/a06179.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::ScoringOptimizer·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::ScoringOptimizer·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d9/d39/a00257_source.html">BALL/SCORING/COMMON/scoringOptimizer.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d9/da1/a01976_source.html">BALL/SCORING/COMMON/scoringOptimizer.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>79 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc1/a06186.html">Result</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc1/a06186.html">Result</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
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93 <tr·class="separator:a92e6fd2158b7a8599e35bdf6ce19a35c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:a92e6fd2158b7a8599e35bdf6ce19a35c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 <tr·class="memitem:aaa2ff3000374bc23abb815200467b382"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d4/dc1/a06186.html">Result</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dfc/a06182.html#aaa2ff3000374bc23abb815200467b382">getResult</a>·()</td></tr>94 <tr·class="memitem:aaa2ff3000374bc23abb815200467b382"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d4/dc1/a06186.html">Result</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dfc/a06182.html#aaa2ff3000374bc23abb815200467b382">getResult</a>·()</td></tr>
95 <tr·class="separator:aaa2ff3000374bc23abb815200467b382"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:aaa2ff3000374bc23abb815200467b382"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table>96 </table>
97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
98 <div·class="textblock"><p·>Class·for·evaluating·and·optimizing·ScoringFunctions·on·a·given·set·of·receptor-ligand·complexes·whose·binding·free·energy·is·known·</p>98 <div·class="textblock"><p·>Class·for·evaluating·and·optimizing·ScoringFunctions·on·a·given·set·of·receptor-ligand·complexes·whose·binding·free·energy·is·known·</p>
  
99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d39/a00257_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d9/d39/a00257_source.html">scoringOptimizer.h</a>.</p>99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/da1/a01976_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d9/da1/a01976_source.html">scoringOptimizer.h</a>.</p>
100 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>100 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
101 <a·id="ab55517709cac48083b387520bd5802d6"·name="ab55517709cac48083b387520bd5802d6"></a>101 <a·id="ab55517709cac48083b387520bd5802d6"·name="ab55517709cac48083b387520bd5802d6"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#ab55517709cac48083b387520bd5802d6">&#9670;&nbsp;</a></span>ScoringOptimizer()</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#ab55517709cac48083b387520bd5802d6">&#9670;&nbsp;</a></span>ScoringOptimizer()</h2>
  
103 <div·class="memitem">103 <div·class="memitem">
104 <div·class="memproto">104 <div·class="memproto">
105 ······<table·class="memname">105 ······<table·class="memname">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li><li·class="navelem"><a·class="el"·href="../../dir_83d211f692a178865d0f66f95342537a.html">GRAPH</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>
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72 ··<div·class="headertitle"><div·class="title">molecularGraph.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">PCMCavFreeEnergyProcessor.h·File·Reference</div></div>
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75 <div·class="textblock"><code>#include·&lt;boost/graph/properties.hpp&gt;</code><br·/> 
76 <code>#include·&lt;boost/graph/graph_traits.hpp&gt;</code><br·/> 
77 <code>#include·&lt;boost/graph/adjacency_list.hpp&gt;</code><br·/> 
78 <code>#include·&lt;boost/graph/copy.hpp&gt;</code><br·/> 
79 <code>#include·&lt;list&gt;</code><br·/> 
80 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/ENERGY/energyProcessor.h</a>&gt;</code><br·/>
81 <code>#include·&lt;<a·class="el"·href="../../d4/d07/a01913_source.html">BALL/DATATYPE/GRAPH/graphAlgorithms.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
82 </div>77 </div>
83 <p><a·href="../../d4/dff/a01910_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d4/dff/a01910_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">79 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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100 <tr·class="separator:ab5f64eed0ff87ab278f0a399bd2a287f"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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102 <tr·class="separator:a41de67525e16202132b86982c85979a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
103 </table>93 </table>
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72 </div><!--header-->72 </div><!--header-->
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74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d0/d36/a01916_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/> 
78 </div>75 </div>
79 <p><a·href="../../d5/d0f/a00308_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d5/d0f/a00308_source.html">Go·to·the·source·code·of·this·file.</a></p>
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86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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91 Namespaces</h2></td></tr>79 Namespaces</h2></td></tr>
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72 </div><!--header-->72 </div><!--header-->
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75 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/> 
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77 <code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/> 
78 </div>75 </div>
79 <p><a·href="../../d5/d0f/a00494_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d5/d0f/a00494_source.html">Go·to·the·source·code·of·this·file.</a></p>
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d00/a00113_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d7e/a00809_source.html">BALL/CONCEPT/object.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d8/db7/a00812_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/> 
76 </div>75 </div>
77 <p><a·href="../../d5/d12/a00794_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d5/d12/a00794_source.html">Go·to·the·source·code·of·this·file.</a></p>
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89 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
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65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
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71 ··<div·class="headertitle"><div·class="title">fftwCommon.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">surfaceProcessor.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
75 <code>#include·&lt;fftw3.h&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/STRUCTURE/reducedSurface.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../db/d7f/a01718_source.html">BALL/STRUCTURE/solventExcludedSurface.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d9/d63/a01877_source.html">BALL/STRUCTURE/triangulatedSES.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d0/d9d/a01760_source.html">BALL/STRUCTURE/solventAccessibleSurface.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d1/dd5/a01742_source.html">BALL/STRUCTURE/triangulatedSAS.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../dc/d71/a01664_source.html">BALL/STRUCTURE/triangulatedSurface.h</a>&gt;</code><br·/>
 81 <code>#include·&lt;<a·class="el"·href="../../dd/dd7/a00260_source.html">BALL/MATHS/surface.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d4/de5/a00503_source.html">BALL/KERNEL/PTE.h</a>&gt;</code><br·/>
76 </div>85 </div>
77 <p><a·href="../../d5/d12/a01799_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d5/d12/a01799_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">87 <table·class="memberdecls">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../dc/d1d/a06379.html">List·of·all·members</a>··</div>71 <a·href="../../dc/d1d/a06379.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::AmberEvaluation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../de/df6/a02197.html">Docking·of·molecular·structures</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::AmberEvaluation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../de/df6/a02197.html">Docking·of·molecular·structures</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d39/a00314_source.html">BALL/SCORING/FUNCTIONS/amberEvaluation.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/d2d/a02018_source.html">BALL/SCORING/FUNCTIONS/amberEvaluation.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::AmberEvaluation:</div>77 Inheritance·diagram·for·BALL::AmberEvaluation:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d5/d19/a06382.png"·usemap="#BALL::AmberEvaluation_map"·alt=""/>80 ··<img·src="../../d5/d19/a06382.png"·usemap="#BALL::AmberEvaluation_map"·alt=""/>
81 ··<map·id="BALL::AmberEvaluation_map"·name="BALL::AmberEvaluation_map">81 ··<map·id="BALL::AmberEvaluation_map"·name="BALL::AmberEvaluation_map">
82 <area·href="../../d9/d71/a06390.html"·alt="BALL::ForceFieldEvaluation"·shape="rect"·coords="0,56,170,80"/>82 <area·href="../../d9/d71/a06390.html"·alt="BALL::ForceFieldEvaluation"·shape="rect"·coords="0,56,170,80"/>
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147 <tr·class="memitem:ad1e4605c0017cce793fd9463884c5247·inherit·pro_attribs_a06390"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d71/a06390.html#ad1e4605c0017cce793fd9463884c5247">delete_force_field_</a></td></tr>147 <tr·class="memitem:ad1e4605c0017cce793fd9463884c5247·inherit·pro_attribs_a06390"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d71/a06390.html#ad1e4605c0017cce793fd9463884c5247">delete_force_field_</a></td></tr>
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149 </table>149 </table>
150 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>150 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
151 <div·class="textblock"><p·>A·class·for·energetic·evaluators·of·docking·results·using·an·AMBER·force·field·as·scoring·function.·</p>151 <div·class="textblock"><p·>A·class·for·energetic·evaluators·of·docking·results·using·an·AMBER·force·field·as·scoring·function.·</p>
  
152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a00314_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d0/d39/a00314_source.html">amberEvaluation.h</a>.</p>152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d2d/a02018_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../da/d2d/a02018_source.html">amberEvaluation.h</a>.</p>
153 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>153 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
154 <a·id="af8ed5375cc0a3e9af4f2d878e75e8774"·name="af8ed5375cc0a3e9af4f2d878e75e8774"></a>154 <a·id="af8ed5375cc0a3e9af4f2d878e75e8774"·name="af8ed5375cc0a3e9af4f2d878e75e8774"></a>
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73 ··<div·class="headertitle"><div·class="title">BALL::PDB::Structure::NCSMatrix·Struct·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::PDB::Structure::NCSMatrix·Struct·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
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81 <tr·class="separator:a802cb69128a85a6f1ac30600c1d7390e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a802cb69128a85a6f1ac30600c1d7390e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock">92 <div·class="textblock">
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l01295">1295</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01295">1295</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
94 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>94 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
95 <a·id="a802cb69128a85a6f1ac30600c1d7390e"·name="a802cb69128a85a6f1ac30600c1d7390e"></a>95 <a·id="a802cb69128a85a6f1ac30600c1d7390e"·name="a802cb69128a85a6f1ac30600c1d7390e"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a802cb69128a85a6f1ac30600c1d7390e">&#9670;&nbsp;</a></span>NCSMatrix()</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a802cb69128a85a6f1ac30600c1d7390e">&#9670;&nbsp;</a></span>NCSMatrix()</h2>
  
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125 ··</tr>125 ··</tr>
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128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l01299">1299</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01299">1299</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
129 </div>129 </div>
130 </div>130 </div>
131 <h2·class="groupheader">Member·Data·Documentation</h2>131 <h2·class="groupheader">Member·Data·Documentation</h2>
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133 <h2·class="memtitle"><span·class="permalink"><a·href="#a62f3437904fcd725f594be0a5a1073d3">&#9670;&nbsp;</a></span>isgiven</h2>133 <h2·class="memtitle"><span·class="permalink"><a·href="#a62f3437904fcd725f594be0a5a1073d3">&#9670;&nbsp;</a></span>isgiven</h2>
  
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146 </div>146 </div>
147 </div>147 </div>
148 <a·id="a6f414912416d3f5a3d57f3915a874936"·name="a6f414912416d3f5a3d57f3915a874936"></a>148 <a·id="a6f414912416d3f5a3d57f3915a874936"·name="a6f414912416d3f5a3d57f3915a874936"></a>
149 <h2·class="memtitle"><span·class="permalink"><a·href="#a6f414912416d3f5a3d57f3915a874936">&#9670;&nbsp;</a></span>matrix</h2>149 <h2·class="memtitle"><span·class="permalink"><a·href="#a6f414912416d3f5a3d57f3915a874936">&#9670;&nbsp;</a></span>matrix</h2>
  
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157 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>·BALL::PDB::Structure::NCSMatrix::matrix[12]</td>157 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>·BALL::PDB::Structure::NCSMatrix::matrix[12]</td>
158 ········</tr>158 ········</tr>
159 ······</table>159 ······</table>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">knnModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">rescoring4D.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d95/a02075_source.html">BALL/QSAR/allModel.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d51/a02000_source.html">BALL/SCORING/FUNCTIONS/rescoring3D.h</a>&gt;</code><br·/>
75 </div>75 </div>
76 <p><a·href="../../d5/d2c/a02012_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d5/d2c/a02012_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d52/a05734.html">BALL::QSAR::KNNModel</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d30/a06434.html">BALL::Rescoring4D</a></td></tr>
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85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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71 <a·href="../../d1/d64/a04675.html">List·of·all·members</a>··</div>71 <a·href="../../d1/d64/a04675.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ChainPredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ChainPredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::ChainPredicate:</div>77 Inheritance·diagram·for·BALL::ChainPredicate:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d5/d2c/a04678.png"·usemap="#BALL::ChainPredicate_map"·alt=""/>80 ··<img·src="../../d5/d2c/a04678.png"·usemap="#BALL::ChainPredicate_map"·alt=""/>
81 ··<map·id="BALL::ChainPredicate_map"·name="BALL::ChainPredicate_map">81 ··<map·id="BALL::ChainPredicate_map"·name="BALL::ChainPredicate_map">
82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Predicate·for·matching·chains.·Returns·<code>true</code>,·if·the·name·of·the·chain·that·the·atom·belongs·to·matches·exactly·the·argument·of·this·expression.·</p>122 <div·class="textblock"><p·>Predicate·for·matching·chains.·Returns·<code>true</code>,·if·the·name·of·the·chain·that·the·atom·belongs·to·matches·exactly·the·argument·of·this·expression.·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00205">205</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00205">205</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
125 <a·id="ab607f0c28e975e78452007a9c6c2cd31"·name="ab607f0c28e975e78452007a9c6c2cd31"></a>125 <a·id="ab607f0c28e975e78452007a9c6c2cd31"·name="ab607f0c28e975e78452007a9c6c2cd31"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#ab607f0c28e975e78452007a9c6c2cd31">&#9670;&nbsp;</a></span>operator()()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#ab607f0c28e975e78452007a9c6c2cd31">&#9670;&nbsp;</a></span>operator()()</h2>
  
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71 <a·href="../../d5/d5e/a07183.html">List·of·all·members</a>··</div>71 <a·href="../../d5/d5e/a07183.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::SideChainPlacementProcessor::Method·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SideChainPlacementProcessor::Method·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/STRUCTURE/sideChainPlacementProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d2/d34/a01679_source.html">BALL/STRUCTURE/sideChainPlacementProcessor.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:af06673f8ccd350d598e05b2975c7d063"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d2e/a07186.html#af06673f8ccd350d598e05b2975c7d063">SCWRL_4_0</a></td></tr>79 <tr·class="memitem:af06673f8ccd350d598e05b2975c7d063"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d2e/a07186.html#af06673f8ccd350d598e05b2975c7d063">SCWRL_4_0</a></td></tr>
80 <tr·class="separator:af06673f8ccd350d598e05b2975c7d063"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:af06673f8ccd350d598e05b2975c7d063"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 </table>81 </table>
82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock">83 <div·class="textblock">
84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dba/a00773_source.html#l00109">109</a>·of·file·<a·class="el"·href="../../d8/dba/a00773_source.html">sideChainPlacementProcessor.h</a>.</p>84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d34/a01679_source.html#l00109">109</a>·of·file·<a·class="el"·href="../../d2/d34/a01679_source.html">sideChainPlacementProcessor.h</a>.</p>
85 </div><h2·class="groupheader">Member·Data·Documentation</h2>85 </div><h2·class="groupheader">Member·Data·Documentation</h2>
86 <a·id="af06673f8ccd350d598e05b2975c7d063"·name="af06673f8ccd350d598e05b2975c7d063"></a>86 <a·id="af06673f8ccd350d598e05b2975c7d063"·name="af06673f8ccd350d598e05b2975c7d063"></a>
87 <h2·class="memtitle"><span·class="permalink"><a·href="#af06673f8ccd350d598e05b2975c7d063">&#9670;&nbsp;</a></span>SCWRL_4_0</h2>87 <h2·class="memtitle"><span·class="permalink"><a·href="#af06673f8ccd350d598e05b2975c7d063">&#9670;&nbsp;</a></span>SCWRL_4_0</h2>
  
88 <div·class="memitem">88 <div·class="memitem">
89 <div·class="memproto">89 <div·class="memproto">
90 <table·class="mlabels">90 <table·class="mlabels">
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101 ··<td·class="mlabels-right">101 ··<td·class="mlabels-right">
102 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>102 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
103 ··</tr>103 ··</tr>
104 </table>104 </table>
105 </div><div·class="memdoc">105 </div><div·class="memdoc">
106 <p·>SCWRL4·is·a·program·for·predicting·side-chain·conformations·for·a·given·protein·backbone.·</p>106 <p·>SCWRL4·is·a·program·for·predicting·side-chain·conformations·for·a·given·protein·backbone.·</p>
  
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dba/a00773_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../d8/dba/a00773_source.html">sideChainPlacementProcessor.h</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d34/a01679_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../d2/d34/a01679_source.html">sideChainPlacementProcessor.h</a>.</p>
  
108 </div>108 </div>
109 </div>109 </div>
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73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d1a/a00251_source.html">BALL/SCORING/COMMON/baseFunction.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/da8/a00230_source.html">BALL/MATHS/piecewiseFunction.h</a>&gt;</code><br·/>
75 </div>75 </div>
76 <p><a·href="../../d5/d35/a00266_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d5/d35/a00266_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
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77 <code>#include·&lt;QtGui/QPaintDevice&gt;</code><br·/>75 <code>#include·&lt;QtGui/QKeyEvent&gt;</code><br·/>
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81 <table·class="memberdecls">81 <table·class="memberdecls">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="../../d4/d38/a06627.html">List·of·all·members</a>··</div>72 <a·href="../../d4/d38/a06627.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::AddHydrogenProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::AddHydrogenProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/deb/a00710_source.html">BALL/STRUCTURE/addHydrogenProcessor.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../db/d4b/a01883_source.html">BALL/STRUCTURE/addHydrogenProcessor.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::AddHydrogenProcessor:</div>78 Inheritance·diagram·for·BALL::AddHydrogenProcessor:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d5/d3f/a06630.png"·usemap="#BALL::AddHydrogenProcessor_map"·alt=""/>81 ··<img·src="../../d5/d3f/a06630.png"·usemap="#BALL::AddHydrogenProcessor_map"·alt=""/>
82 ··<map·id="BALL::AddHydrogenProcessor_map"·name="BALL::AddHydrogenProcessor_map">82 ··<map·id="BALL::AddHydrogenProcessor_map"·name="BALL::AddHydrogenProcessor_map">
83 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Composite·&gt;"·shape="rect"·coords="0,56,316,80"/>83 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Composite·&gt;"·shape="rect"·coords="0,56,316,80"/>
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157 <p·>No·additional·optimization·of·the·atom·placement·is·performed.·The·optimal·bond·lengths·are·calculated·by·a·modified·Schomaker-Stevenson·rule·(adapted·from·the·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a>).·For·hydrogen·atoms·located·in·a·peptide·bond·the·atom·is·placed·taking·the·planarity·of·the·bond·into·account.·In·this·case·bond·length·is·taken·from·the·rules·used·by·DSSP·(Kabsch-Sander)·as·implemented·by·the·HydrogenBondProcessor.·</p><dl·class="section·user"><dt></dt><dd>Usage:·<div·class="fragment"><div·class="line"><a·class="code·hl_class"·href="../../da/d81/a05850.html">RingPerceptionProcessor</a>·rpp;</div>157 <p·>No·additional·optimization·of·the·atom·placement·is·performed.·The·optimal·bond·lengths·are·calculated·by·a·modified·Schomaker-Stevenson·rule·(adapted·from·the·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a>).·For·hydrogen·atoms·located·in·a·peptide·bond·the·atom·is·placed·taking·the·planarity·of·the·bond·into·account.·In·this·case·bond·length·is·taken·from·the·rules·used·by·DSSP·(Kabsch-Sander)·as·implemented·by·the·HydrogenBondProcessor.·</p><dl·class="section·user"><dt></dt><dd>Usage:·<div·class="fragment"><div·class="line"><a·class="code·hl_class"·href="../../da/d81/a05850.html">RingPerceptionProcessor</a>·rpp;</div>
158 <div·class="line">vector&lt;vector&lt;Atom*&gt;·&gt;·rings;</div>158 <div·class="line">vector&lt;vector&lt;Atom*&gt;·&gt;·rings;</div>
159 <div·class="line">rpp.<a·class="code·hl_function"·href="../../da/d81/a05850.html#afda9f3a86ab7ab299140327e2c984259">calculateSSSR</a>(rings,·system);</div>159 <div·class="line">rpp.<a·class="code·hl_function"·href="../../da/d81/a05850.html#afda9f3a86ab7ab299140327e2c984259">calculateSSSR</a>(rings,·system);</div>
160 <div·class="line">rings·=·rpp.<a·class="code·hl_function"·href="../../da/d81/a05850.html#aa93bc36568f02ce5f77c22859d717676">getAllSmallRings</a>();</div>160 <div·class="line">rings·=·rpp.<a·class="code·hl_function"·href="../../da/d81/a05850.html#aa93bc36568f02ce5f77c22859d717676">getAllSmallRings</a>();</div>
161 <div·class="line"><a·class="code·hl_class"·href="../../d5/d3f/a06630.html">AddHydrogenProcessor</a>·ap;</div>161 <div·class="line"><a·class="code·hl_class"·href="../../d5/d3f/a06630.html">AddHydrogenProcessor</a>·ap;</div>
162 <div·class="line">ap.<a·class="code·hl_function"·href="../../d5/d3f/a06630.html#aaaf414b2cb67c975cc02e477a0ea4859">setRings</a>(rings);</div>162 <div·class="line">ap.<a·class="code·hl_function"·href="../../d5/d3f/a06630.html#aaaf414b2cb67c975cc02e477a0ea4859">setRings</a>(rings);</div>
163 <div·class="line">system.apply(ap);</div>163 <div·class="line">system.apply(ap);</div>
164 <div·class="ttc"·id="aa05850_html"><div·class="ttname"><a·href="../../da/d81/a05850.html">BALL::RingPerceptionProcessor</a></div><div·class="ttdef"><b>Definition:</b>·<a·href="../../d2/dea/a02057_source.html#l00036">ringPerceptionProcessor.h:38</a></div></div>164 <div·class="ttc"·id="aa05850_html"><div·class="ttname"><a·href="../../da/d81/a05850.html">BALL::RingPerceptionProcessor</a></div><div·class="ttdef"><b>Definition:</b>·<a·href="../../d3/d29/a00419_source.html#l00036">ringPerceptionProcessor.h:38</a></div></div>
165 <div·class="ttc"·id="aa05850_html_aa93bc36568f02ce5f77c22859d717676"><div·class="ttname"><a·href="../../da/d81/a05850.html#aa93bc36568f02ce5f77c22859d717676">BALL::RingPerceptionProcessor::getAllSmallRings</a></div><div·class="ttdeci">const·vector&lt;·vector&lt;·Atom·*·&gt;·&gt;·&amp;·getAllSmallRings()·const</div></div>165 <div·class="ttc"·id="aa05850_html_aa93bc36568f02ce5f77c22859d717676"><div·class="ttname"><a·href="../../da/d81/a05850.html#aa93bc36568f02ce5f77c22859d717676">BALL::RingPerceptionProcessor::getAllSmallRings</a></div><div·class="ttdeci">const·vector&lt;·vector&lt;·Atom·*·&gt;·&gt;·&amp;·getAllSmallRings()·const</div></div>
166 <div·class="ttc"·id="aa05850_html_afda9f3a86ab7ab299140327e2c984259"><div·class="ttname"><a·href="../../da/d81/a05850.html#afda9f3a86ab7ab299140327e2c984259">BALL::RingPerceptionProcessor::calculateSSSR</a></div><div·class="ttdeci">Size·calculateSSSR(vector&lt;·vector&lt;·Atom·*·&gt;·&gt;·&amp;sssr,·AtomContainer·&amp;ac)</div></div>166 <div·class="ttc"·id="aa05850_html_afda9f3a86ab7ab299140327e2c984259"><div·class="ttname"><a·href="../../da/d81/a05850.html#afda9f3a86ab7ab299140327e2c984259">BALL::RingPerceptionProcessor::calculateSSSR</a></div><div·class="ttdeci">Size·calculateSSSR(vector&lt;·vector&lt;·Atom·*·&gt;·&gt;·&amp;sssr,·AtomContainer·&amp;ac)</div></div>
167 <div·class="ttc"·id="aa06630_html"><div·class="ttname"><a·href="../../d5/d3f/a06630.html">BALL::AddHydrogenProcessor</a></div><div·class="ttdef"><b>Definition:</b>·<a·href="../../d4/deb/a00710_source.html#l00058">addHydrogenProcessor.h:60</a></div></div>167 <div·class="ttc"·id="aa06630_html"><div·class="ttname"><a·href="../../d5/d3f/a06630.html">BALL::AddHydrogenProcessor</a></div><div·class="ttdef"><b>Definition:</b>·<a·href="../../db/d4b/a01883_source.html#l00058">addHydrogenProcessor.h:60</a></div></div>
168 <div·class="ttc"·id="aa06630_html_aaaf414b2cb67c975cc02e477a0ea4859"><div·class="ttname"><a·href="../../d5/d3f/a06630.html#aaaf414b2cb67c975cc02e477a0ea4859">BALL::AddHydrogenProcessor::setRings</a></div><div·class="ttdeci">void·setRings(const·vector&lt;·vector&lt;·Atom·*·&gt;·&gt;·&amp;rings)</div></div>168 <div·class="ttc"·id="aa06630_html_aaaf414b2cb67c975cc02e477a0ea4859"><div·class="ttname"><a·href="../../d5/d3f/a06630.html#aaaf414b2cb67c975cc02e477a0ea4859">BALL::AddHydrogenProcessor::setRings</a></div><div·class="ttdeci">void·setRings(const·vector&lt;·vector&lt;·Atom·*·&gt;·&gt;·&amp;rings)</div></div>
169 </div><!--·fragment·--></dd></dl>169 </div><!--·fragment·--></dd></dl>
170 <p>Keep·in·mind·that·the·hydrogen·positions·obtained·by·using·this·method·are·usually·not·optimal.·For·better·better·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·placment·when·adding·hydrogens·to·Proteins·and·DNA·you·should·use·the·<a·class="el"·href="../../d1/d43/a07042.html">ReconstructFragmentProcessor</a>.·Nevertheless·in·both·cases·it·is·recommended·to·optimize·the·obtained·hydrogen·atom·positions·using·a·force·field·(e.g.·<a·class="el"·href="../../da/d9e/a04926.html">BALL::AmberFF</a>,·<a·class="el"·href="../../dc/d66/a05014.html">BALL::CharmmFF</a>,·<a·class="el"·href="../../d5/d9b/a05222.html">BALL::MMFF94</a>)·</p>170 <p>Keep·in·mind·that·the·hydrogen·positions·obtained·by·using·this·method·are·usually·not·optimal.·For·better·better·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·placment·when·adding·hydrogens·to·Proteins·and·DNA·you·should·use·the·<a·class="el"·href="../../d1/d43/a07042.html">ReconstructFragmentProcessor</a>.·Nevertheless·in·both·cases·it·is·recommended·to·optimize·the·obtained·hydrogen·atom·positions·using·a·force·field·(e.g.·<a·class="el"·href="../../da/d9e/a04926.html">BALL::AmberFF</a>,·<a·class="el"·href="../../dc/d66/a05014.html">BALL::CharmmFF</a>,·<a·class="el"·href="../../d5/d9b/a05222.html">BALL::MMFF94</a>)·</p>
  
171 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/deb/a00710_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../d4/deb/a00710_source.html">addHydrogenProcessor.h</a>.</p>171 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d4b/a01883_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../db/d4b/a01883_source.html">addHydrogenProcessor.h</a>.</p>
172 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>172 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
173 <a·id="a26b00141d0f28ce076a902d71536f134"·name="a26b00141d0f28ce076a902d71536f134"></a>173 <a·id="a26b00141d0f28ce076a902d71536f134"·name="a26b00141d0f28ce076a902d71536f134"></a>
174 <h2·class="memtitle"><span·class="permalink"><a·href="#a26b00141d0f28ce076a902d71536f134">&#9670;&nbsp;</a></span>AddHydrogenProcessor()</h2>174 <h2·class="memtitle"><span·class="permalink"><a·href="#a26b00141d0f28ce076a902d71536f134">&#9670;&nbsp;</a></span>AddHydrogenProcessor()</h2>
  
175 <div·class="memitem">175 <div·class="memitem">
176 <div·class="memproto">176 <div·class="memproto">
177 ······<table·class="memname">177 ······<table·class="memname">
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411 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>411 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
412 ··</tr>412 ··</tr>
413 </table>413 </table>
414 </div><div·class="memdoc">414 </div><div·class="memdoc">
415 <p·>Returns·the·number·of·added·hydrogen·atoms.·This·value·will·accumulate·over·multiple·calls·of·operator()</p>415 <p·>Returns·the·number·of·added·hydrogen·atoms.·This·value·will·accumulate·over·multiple·calls·of·operator()</p>
416 <dl·class="section·return"><dt>Returns</dt><dd>The·number·of·added·hydrogens·</dd></dl>416 <dl·class="section·return"><dt>Returns</dt><dd>The·number·of·added·hydrogens·</dd></dl>
  
417 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/deb/a00710_source.html#l00118">118</a>·of·file·<a·class="el"·href="../../d4/deb/a00710_source.html">addHydrogenProcessor.h</a>.</p>417 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d4b/a01883_source.html#l00118">118</a>·of·file·<a·class="el"·href="../../db/d4b/a01883_source.html">addHydrogenProcessor.h</a>.</p>
  
418 </div>418 </div>
419 </div>419 </div>
420 <a·id="ae6f7418e81a322c6897b79d418eae551"·name="ae6f7418e81a322c6897b79d418eae551"></a>420 <a·id="ae6f7418e81a322c6897b79d418eae551"·name="ae6f7418e81a322c6897b79d418eae551"></a>
421 <h2·class="memtitle"><span·class="permalink"><a·href="#ae6f7418e81a322c6897b79d418eae551">&#9670;&nbsp;</a></span>getPartners_()</h2>421 <h2·class="memtitle"><span·class="permalink"><a·href="#ae6f7418e81a322c6897b79d418eae551">&#9670;&nbsp;</a></span>getPartners_()</h2>
  
422 <div·class="memitem">422 <div·class="memitem">
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d5/dc1/a04943.html">List·of·all·members</a>··</div>70 <a·href="../../d5/dc1/a04943.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::AmberStretch·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d86/a02170.html">AMBER·Force·Field.</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::AmberStretch·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d86/a02170.html">AMBER·Force·Field.</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d8/dbb/a00932_source.html">BALL/MOLMEC/AMBER/amberStretch.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../db/db2/a00020_source.html">BALL/MOLMEC/AMBER/amberStretch.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::AmberStretch:</div>76 Inheritance·diagram·for·BALL::AmberStretch:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d5/d41/a04946.png"·usemap="#BALL::AmberStretch_map"·alt=""/>79 ··<img·src="../../d5/d41/a04946.png"·usemap="#BALL::AmberStretch_map"·alt=""/>
80 ··<map·id="BALL::AmberStretch_map"·name="BALL::AmberStretch_map">80 ··<map·id="BALL::AmberStretch_map"·name="BALL::AmberStretch_map">
81 <area·href="../../dc/de6/a05126.html"·alt="BALL::StretchComponent"·shape="rect"·coords="0,112,174,136"/>81 <area·href="../../dc/de6/a05126.html"·alt="BALL::StretchComponent"·shape="rect"·coords="0,112,174,136"/>
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231 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>231 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
232 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>232 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
233 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>233 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
234 </table>234 </table>
235 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>235 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
236 <div·class="textblock"><p·>Amber·bond·stretch·component·</p>236 <div·class="textblock"><p·>Amber·bond·stretch·component·</p>
  
237 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbb/a00932_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d8/dbb/a00932_source.html">amberStretch.h</a>.</p>237 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/db2/a00020_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../db/db2/a00020_source.html">amberStretch.h</a>.</p>
238 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>238 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
239 <a·id="a5628dab7425ffa443bc8d14518b7bcf1"·name="a5628dab7425ffa443bc8d14518b7bcf1"></a>239 <a·id="a5628dab7425ffa443bc8d14518b7bcf1"·name="a5628dab7425ffa443bc8d14518b7bcf1"></a>
240 <h2·class="memtitle"><span·class="permalink"><a·href="#a5628dab7425ffa443bc8d14518b7bcf1">&#9670;&nbsp;</a></span>AmberStretch()·<span·class="overload">[1/2]</span></h2>240 <h2·class="memtitle"><span·class="permalink"><a·href="#a5628dab7425ffa443bc8d14518b7bcf1">&#9670;&nbsp;</a></span>AmberStretch()·<span·class="overload">[1/2]</span></h2>
  
241 <div·class="memitem">241 <div·class="memitem">
242 <div·class="memproto">242 <div·class="memproto">
243 ······<table·class="memname">243 ······<table·class="memname">
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72 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;72 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
73 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;73 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
74 <a·href="../../d1/d5e/a05403.html">List·of·all·members</a>··</div>74 <a·href="../../d1/d5e/a05403.html">List·of·all·members</a>··</div>
75 ··<div·class="headertitle"><div·class="title">BALL::QuadraticAngleBend·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>75 ··<div·class="headertitle"><div·class="title">BALL::QuadraticAngleBend·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>
76 </div><!--header-->76 </div><!--header-->
77 <div·class="contents">77 <div·class="contents">
  
78 <p><code>#include·&lt;<a·class="el"·href="../../df/d0e/a00800_source.html">BALL/MOLMEC/PARAMETER/quadraticAngleBend.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../d6/db8/a00158_source.html">BALL/MOLMEC/PARAMETER/quadraticAngleBend.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
80 Inheritance·diagram·for·BALL::QuadraticAngleBend:</div>80 Inheritance·diagram·for·BALL::QuadraticAngleBend:</div>
81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../d5/d43/a05406.png"·usemap="#BALL::QuadraticAngleBend_map"·alt=""/>83 ··<img·src="../../d5/d43/a05406.png"·usemap="#BALL::QuadraticAngleBend_map"·alt=""/>
84 ··<map·id="BALL::QuadraticAngleBend_map"·name="BALL::QuadraticAngleBend_map">84 ··<map·id="BALL::QuadraticAngleBend_map"·name="BALL::QuadraticAngleBend_map">
85 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,167,24"/>85 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,167,24"/>
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194 <tr·class="inherit_header·pub_static_attribs_a04082"><td·colspan="2"·onclick="javascript:toggleInherit('pub_static_attribs_a04082')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Public·Attributes·inherited·from·<a·class="el"·href="../../db/d64/a04082.html">BALL::ParameterSection</a></td></tr>194 <tr·class="inherit_header·pub_static_attribs_a04082"><td·colspan="2"·onclick="javascript:toggleInherit('pub_static_attribs_a04082')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Public·Attributes·inherited·from·<a·class="el"·href="../../db/d64/a04082.html">BALL::ParameterSection</a></td></tr>
195 <tr·class="memitem:a9ac05e32ffcf916b92539170f61befd2·inherit·pub_static_attribs_a04082"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a9ac05e32ffcf916b92539170f61befd2">UNDEFINED</a></td></tr>195 <tr·class="memitem:a9ac05e32ffcf916b92539170f61befd2·inherit·pub_static_attribs_a04082"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a9ac05e32ffcf916b92539170f61befd2">UNDEFINED</a></td></tr>
196 <tr·class="separator:a9ac05e32ffcf916b92539170f61befd2·inherit·pub_static_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>196 <tr·class="separator:a9ac05e32ffcf916b92539170f61befd2·inherit·pub_static_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
197 </table>197 </table>
198 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>198 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
199 <div·class="textblock"><p·><a·class="el"·href="../../d5/d43/a05406.html">QuadraticAngleBend</a>.·Molecular·Mechanics·Parameter:·class·describing·the·parameters·required·to·implement·a·harmonic·potential·describing·angle·bends.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>199 <div·class="textblock"><p·><a·class="el"·href="../../d5/d43/a05406.html">QuadraticAngleBend</a>.·Molecular·Mechanics·Parameter:·class·describing·the·parameters·required·to·implement·a·harmonic·potential·describing·angle·bends.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0e/a00800_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../df/d0e/a00800_source.html">quadraticAngleBend.h</a>.</p>200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">quadraticAngleBend.h</a>.</p>
201 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>201 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
202 <a·id="a1f82c71beda47e3867f1550eb9826091"·name="a1f82c71beda47e3867f1550eb9826091"></a>202 <a·id="a1f82c71beda47e3867f1550eb9826091"·name="a1f82c71beda47e3867f1550eb9826091"></a>
203 <h2·class="memtitle"><span·class="permalink"><a·href="#a1f82c71beda47e3867f1550eb9826091">&#9670;&nbsp;</a></span>anonymous·enum</h2>203 <h2·class="memtitle"><span·class="permalink"><a·href="#a1f82c71beda47e3867f1550eb9826091">&#9670;&nbsp;</a></span>anonymous·enum</h2>
  
204 <div·class="memitem">204 <div·class="memitem">
205 <div·class="memproto">205 <div·class="memproto">
206 ······<table·class="memname">206 ······<table·class="memname">
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211 ········</tr>211 ········</tr>
212 ······</table>212 ······</table>
213 </div><div·class="memdoc">213 </div><div·class="memdoc">
214 <table·class="fieldtable">214 <table·class="fieldtable">
215 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a1f82c71beda47e3867f1550eb9826091a8d3c3cee527c3a576a7ecaccdd3cfb21"·name="a1f82c71beda47e3867f1550eb9826091a8d3c3cee527c3a576a7ecaccdd3cfb21"></a>UNKNOWN&#160;</td><td·class="fielddoc"></td></tr>215 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a1f82c71beda47e3867f1550eb9826091a8d3c3cee527c3a576a7ecaccdd3cfb21"·name="a1f82c71beda47e3867f1550eb9826091a8d3c3cee527c3a576a7ecaccdd3cfb21"></a>UNKNOWN&#160;</td><td·class="fielddoc"></td></tr>
216 </table>216 </table>
  
217 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0e/a00800_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../df/d0e/a00800_source.html">quadraticAngleBend.h</a>.</p>217 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">quadraticAngleBend.h</a>.</p>
  
218 </div>218 </div>
219 </div>219 </div>
220 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>220 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
221 <a·id="a6ffdd8daaf4765d3c3d00a90d5995fa7"·name="a6ffdd8daaf4765d3c3d00a90d5995fa7"></a>221 <a·id="a6ffdd8daaf4765d3c3d00a90d5995fa7"·name="a6ffdd8daaf4765d3c3d00a90d5995fa7"></a>
222 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ffdd8daaf4765d3c3d00a90d5995fa7">&#9670;&nbsp;</a></span>QuadraticAngleBend()</h2>222 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ffdd8daaf4765d3c3d00a90d5995fa7">&#9670;&nbsp;</a></span>QuadraticAngleBend()</h2>
  
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494 ··</td>494 ··</td>
495 ··<td·class="mlabels-right">495 ··<td·class="mlabels-right">
496 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>496 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
497 ··</tr>497 ··</tr>
498 </table>498 </table>
499 </div><div·class="memdoc">499 </div><div·class="memdoc">
  
500 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0e/a00800_source.html#l00092">92</a>·of·file·<a·class="el"·href="../../df/d0e/a00800_source.html">quadraticAngleBend.h</a>.</p>500 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00092">92</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">quadraticAngleBend.h</a>.</p>
  
501 </div>501 </div>
502 </div>502 </div>
503 <a·id="a04aad6a186d8ca45960b360923f7cbd3"·name="a04aad6a186d8ca45960b360923f7cbd3"></a>503 <a·id="a04aad6a186d8ca45960b360923f7cbd3"·name="a04aad6a186d8ca45960b360923f7cbd3"></a>
504 <h2·class="memtitle"><span·class="permalink"><a·href="#a04aad6a186d8ca45960b360923f7cbd3">&#9670;&nbsp;</a></span>value_index_</h2>504 <h2·class="memtitle"><span·class="permalink"><a·href="#a04aad6a186d8ca45960b360923f7cbd3">&#9670;&nbsp;</a></span>value_index_</h2>
  
505 <div·class="memitem">505 <div·class="memitem">
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518 ··</td>518 ··</td>
519 ··<td·class="mlabels-right">519 ··<td·class="mlabels-right">
520 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>520 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
521 ··</tr>521 ··</tr>
522 </table>522 </table>
523 </div><div·class="memdoc">523 </div><div·class="memdoc">
  
524 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0e/a00800_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../df/d0e/a00800_source.html">quadraticAngleBend.h</a>.</p>524 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">quadraticAngleBend.h</a>.</p>
  
525 </div>525 </div>
526 </div>526 </div>
527 <a·id="a9605b917ff9722f30dc23d08708c65ae"·name="a9605b917ff9722f30dc23d08708c65ae"></a>527 <a·id="a9605b917ff9722f30dc23d08708c65ae"·name="a9605b917ff9722f30dc23d08708c65ae"></a>
528 <h2·class="memtitle"><span·class="permalink"><a·href="#a9605b917ff9722f30dc23d08708c65ae">&#9670;&nbsp;</a></span>values_</h2>528 <h2·class="memtitle"><span·class="permalink"><a·href="#a9605b917ff9722f30dc23d08708c65ae">&#9670;&nbsp;</a></span>values_</h2>
  
529 <div·class="memitem">529 <div·class="memitem">
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542 ··</td>542 ··</td>
543 ··<td·class="mlabels-right">543 ··<td·class="mlabels-right">
544 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>544 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
545 ··</tr>545 ··</tr>
546 </table>546 </table>
547 </div><div·class="memdoc">547 </div><div·class="memdoc">
  
548 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0e/a00800_source.html#l00094">94</a>·of·file·<a·class="el"·href="../../df/d0e/a00800_source.html">quadraticAngleBend.h</a>.</p>548 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00094">94</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">quadraticAngleBend.h</a>.</p>
  
549 </div>549 </div>
550 </div>550 </div>
551 </div><!--·contents·-->551 </div><!--·contents·-->
552 <!--·start·footer·part·-->552 <!--·start·footer·part·-->
553 <hr·class="footer"/><address·class="footer"><small>553 <hr·class="footer"/><address·class="footer"><small>
554 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4554 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../dd/d95/a08347.html">List·of·all·members</a>··</div>71 <a·href="../../dd/d95/a08347.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RenderTarget·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RenderTarget·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/d65/a01145_source.html">BALL/VIEW/RENDERING/renderTarget.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d8/dd0/a01430_source.html">BALL/VIEW/RENDERING/renderTarget.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::RenderTarget:</div>77 Inheritance·diagram·for·BALL::VIEW::RenderTarget:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d5/d43/a08350.png"·usemap="#BALL::VIEW::RenderTarget_map"·alt=""/>80 ··<img·src="../../d5/d43/a08350.png"·usemap="#BALL::VIEW::RenderTarget_map"·alt=""/>
81 ··<map·id="BALL::VIEW::RenderTarget_map"·name="BALL::VIEW::RenderTarget_map">81 ··<map·id="BALL::VIEW::RenderTarget_map"·name="BALL::VIEW::RenderTarget_map">
82 <area·href="../../d2/d37/a08354.html"·alt="BALL::VIEW::TRenderWindow&lt;·taPixelDatatype·&gt;"·shape="rect"·coords="149,56,438,80"/>82 <area·href="../../d2/d37/a08354.html"·alt="BALL::VIEW::TRenderWindow&lt;·taPixelDatatype·&gt;"·shape="rect"·coords="149,56,438,80"/>
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107 <tr·class="memitem:af6035ef7d42ebd044f3046bd850de904"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d43/a08350.html#af6035ef7d42ebd044f3046bd850de904">setupStereo</a>·(<a·class="el"·href="../../de/ded/a09238.html">float</a>,·<a·class="el"·href="../../de/ded/a09238.html">float</a>)</td></tr>107 <tr·class="memitem:af6035ef7d42ebd044f3046bd850de904"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d43/a08350.html#af6035ef7d42ebd044f3046bd850de904">setupStereo</a>·(<a·class="el"·href="../../de/ded/a09238.html">float</a>,·<a·class="el"·href="../../de/ded/a09238.html">float</a>)</td></tr>
108 <tr·class="separator:af6035ef7d42ebd044f3046bd850de904"><td·class="memSeparator"·colspan="2">&#160;</td></tr>108 <tr·class="separator:af6035ef7d42ebd044f3046bd850de904"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
109 <tr·class="memitem:adebd0cb141a5e4fccb89f34898487f35"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d43/a08350.html#adebd0cb141a5e4fccb89f34898487f35">doNotResize</a>·()·const·=0</td></tr>109 <tr·class="memitem:adebd0cb141a5e4fccb89f34898487f35"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d43/a08350.html#adebd0cb141a5e4fccb89f34898487f35">doNotResize</a>·()·const·=0</td></tr>
110 <tr·class="separator:adebd0cb141a5e4fccb89f34898487f35"><td·class="memSeparator"·colspan="2">&#160;</td></tr>110 <tr·class="separator:adebd0cb141a5e4fccb89f34898487f35"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
111 </table>111 </table>
112 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>112 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
113 <div·class="textblock">113 <div·class="textblock">
114 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d65/a01145_source.html#l00226">226</a>·of·file·<a·class="el"·href="../../d9/d65/a01145_source.html">renderTarget.h</a>.</p>114 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dd0/a01430_source.html#l00226">226</a>·of·file·<a·class="el"·href="../../d8/dd0/a01430_source.html">renderTarget.h</a>.</p>
115 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>115 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
116 <a·id="af912b2e531ddc90f212b99cdb1ba4d6e"·name="af912b2e531ddc90f212b99cdb1ba4d6e"></a>116 <a·id="af912b2e531ddc90f212b99cdb1ba4d6e"·name="af912b2e531ddc90f212b99cdb1ba4d6e"></a>
117 <h2·class="memtitle"><span·class="permalink"><a·href="#af912b2e531ddc90f212b99cdb1ba4d6e">&#9670;&nbsp;</a></span>~RenderTarget()</h2>117 <h2·class="memtitle"><span·class="permalink"><a·href="#af912b2e531ddc90f212b99cdb1ba4d6e">&#9670;&nbsp;</a></span>~RenderTarget()</h2>
  
118 <div·class="memitem">118 <div·class="memitem">
119 <div·class="memproto">119 <div·class="memproto">
120 <table·class="mlabels">120 <table·class="mlabels">
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132 ··</td>132 ··</td>
133 ··<td·class="mlabels-right">133 ··<td·class="mlabels-right">
134 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>134 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
135 ··</tr>135 ··</tr>
136 </table>136 </table>
137 </div><div·class="memdoc">137 </div><div·class="memdoc">
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d65/a01145_source.html#l00230">230</a>·of·file·<a·class="el"·href="../../d9/d65/a01145_source.html">renderTarget.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dd0/a01430_source.html#l00230">230</a>·of·file·<a·class="el"·href="../../d8/dd0/a01430_source.html">renderTarget.h</a>.</p>
  
139 </div>139 </div>
140 </div>140 </div>
141 <h2·class="groupheader">Member·Function·Documentation</h2>141 <h2·class="groupheader">Member·Function·Documentation</h2>
142 <a·id="adebd0cb141a5e4fccb89f34898487f35"·name="adebd0cb141a5e4fccb89f34898487f35"></a>142 <a·id="adebd0cb141a5e4fccb89f34898487f35"·name="adebd0cb141a5e4fccb89f34898487f35"></a>
143 <h2·class="memtitle"><span·class="permalink"><a·href="#adebd0cb141a5e4fccb89f34898487f35">&#9670;&nbsp;</a></span>doNotResize()</h2>143 <h2·class="memtitle"><span·class="permalink"><a·href="#adebd0cb141a5e4fccb89f34898487f35">&#9670;&nbsp;</a></span>doNotResize()</h2>
  
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414 </table>414 </table>
415 </div><div·class="memdoc">415 </div><div·class="memdoc">
416 <p·>Sets·this·render·target·as·a·part·of·a·stereo·setup.</p>416 <p·>Sets·this·render·target·as·a·part·of·a·stereo·setup.</p>
417 <p·>eye_separation·denotes·the·distance·along·the·right·vector·used·by·this·"eye".·</p>417 <p·>eye_separation·denotes·the·distance·along·the·right·vector·used·by·this·"eye".·</p>
  
418 <p>Reimplemented·in·<a·class="el"·href="../../d4/dfb/a08242.html#a427b43175ede130283b66272235eb4c5">BALL::VIEW::GLRenderWindow</a>.</p>418 <p>Reimplemented·in·<a·class="el"·href="../../d4/dfb/a08242.html#a427b43175ede130283b66272235eb4c5">BALL::VIEW::GLRenderWindow</a>.</p>
  
419 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d65/a01145_source.html#l00272">272</a>·of·file·<a·class="el"·href="../../d9/d65/a01145_source.html">renderTarget.h</a>.</p>419 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dd0/a01430_source.html#l00272">272</a>·of·file·<a·class="el"·href="../../d8/dd0/a01430_source.html">renderTarget.h</a>.</p>
  
420 </div>420 </div>
421 </div>421 </div>
422 </div><!--·contents·-->422 </div><!--·contents·-->
423 <!--·start·footer·part·-->423 <!--·start·footer·part·-->
424 <hr·class="footer"/><address·class="footer"><small>424 <hr·class="footer"/><address·class="footer"><small>
425 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4425 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../d0/d94/a06507.html">List·of·all·members</a>··</div>71 <a·href="../../d0/d94/a06507.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Pair6_12RDFIntegrator::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Pair6_12RDFIntegrator::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/db3/a01751_source.html">BALL/SOLVATION/pair6_12RDFIntegrator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/dca/a01907_source.html">BALL/SOLVATION/pair6_12RDFIntegrator.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a8355ac66baf1d3cf537233e8c97a7d4a"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d44/a06510.html#a8355ac66baf1d3cf537233e8c97a7d4a">METHOD</a></td></tr>79 <tr·class="memitem:a8355ac66baf1d3cf537233e8c97a7d4a"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d44/a06510.html#a8355ac66baf1d3cf537233e8c97a7d4a">METHOD</a></td></tr>
80 <tr·class="separator:a8355ac66baf1d3cf537233e8c97a7d4a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a8355ac66baf1d3cf537233e8c97a7d4a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:ae1c2eab9a90ffc6a4c4dd1c47793988d"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d44/a06510.html#ae1c2eab9a90ffc6a4c4dd1c47793988d">SAMPLES</a></td></tr>81 <tr·class="memitem:ae1c2eab9a90ffc6a4c4dd1c47793988d"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d44/a06510.html#ae1c2eab9a90ffc6a4c4dd1c47793988d">SAMPLES</a></td></tr>
82 <tr·class="separator:ae1c2eab9a90ffc6a4c4dd1c47793988d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:ae1c2eab9a90ffc6a4c4dd1c47793988d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a75869d6b1020a34b3014f64001058cea"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d44/a06510.html#a75869d6b1020a34b3014f64001058cea">VERBOSITY</a></td></tr>83 <tr·class="memitem:a75869d6b1020a34b3014f64001058cea"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d44/a06510.html#a75869d6b1020a34b3014f64001058cea">VERBOSITY</a></td></tr>
84 <tr·class="separator:a75869d6b1020a34b3014f64001058cea"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a75869d6b1020a34b3014f64001058cea"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock"><p·>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../dc/dc0/a06506.html#a56188353f2e3edc05cf83ef7d2ace9af">Pair6_12RDFIntegrator::options</a>.·</p>87 <div·class="textblock"><p·>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../dc/dc0/a06506.html#a56188353f2e3edc05cf83ef7d2ace9af">Pair6_12RDFIntegrator::options</a>.·</p>
  
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db3/a01751_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d5/db3/a01751_source.html">pair6_12RDFIntegrator.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">pair6_12RDFIntegrator.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="a8355ac66baf1d3cf537233e8c97a7d4a"·name="a8355ac66baf1d3cf537233e8c97a7d4a"></a>90 <a·id="a8355ac66baf1d3cf537233e8c97a7d4a"·name="a8355ac66baf1d3cf537233e8c97a7d4a"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#a8355ac66baf1d3cf537233e8c97a7d4a">&#9670;&nbsp;</a></span>METHOD</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#a8355ac66baf1d3cf537233e8c97a7d4a">&#9670;&nbsp;</a></span>METHOD</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
93 <div·class="memproto">93 <div·class="memproto">
94 <table·class="mlabels">94 <table·class="mlabels">
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112 <dl·class="params"><dt>Parameters</dt><dd>112 <dl·class="params"><dt>Parameters</dt><dd>
113 ··<table·class="params">113 ··<table·class="params">
114 ····<tr><td·class="paramname">integration_method</td><td>integer·</td></tr>114 ····<tr><td·class="paramname">integration_method</td><td>integer·</td></tr>
115 ··</table>115 ··</table>
116 ··</dd>116 ··</dd>
117 </dl>117 </dl>
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db3/a01751_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d5/db3/a01751_source.html">pair6_12RDFIntegrator.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">pair6_12RDFIntegrator.h</a>.</p>
  
119 </div>119 </div>
120 </div>120 </div>
121 <a·id="ae1c2eab9a90ffc6a4c4dd1c47793988d"·name="ae1c2eab9a90ffc6a4c4dd1c47793988d"></a>121 <a·id="ae1c2eab9a90ffc6a4c4dd1c47793988d"·name="ae1c2eab9a90ffc6a4c4dd1c47793988d"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1c2eab9a90ffc6a4c4dd1c47793988d">&#9670;&nbsp;</a></span>SAMPLES</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1c2eab9a90ffc6a4c4dd1c47793988d">&#9670;&nbsp;</a></span>SAMPLES</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
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143 <dl·class="params"><dt>Parameters</dt><dd>143 <dl·class="params"><dt>Parameters</dt><dd>
144 ··<table·class="params">144 ··<table·class="params">
145 ····<tr><td·class="paramname">samples</td><td>integer·</td></tr>145 ····<tr><td·class="paramname">samples</td><td>integer·</td></tr>
146 ··</table>146 ··</table>
147 ··</dd>147 ··</dd>
148 </dl>148 </dl>
  
149 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db3/a01751_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../d5/db3/a01751_source.html">pair6_12RDFIntegrator.h</a>.</p>149 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">pair6_12RDFIntegrator.h</a>.</p>
  
150 </div>150 </div>
151 </div>151 </div>
152 <a·id="a75869d6b1020a34b3014f64001058cea"·name="a75869d6b1020a34b3014f64001058cea"></a>152 <a·id="a75869d6b1020a34b3014f64001058cea"·name="a75869d6b1020a34b3014f64001058cea"></a>
153 <h2·class="memtitle"><span·class="permalink"><a·href="#a75869d6b1020a34b3014f64001058cea">&#9670;&nbsp;</a></span>VERBOSITY</h2>153 <h2·class="memtitle"><span·class="permalink"><a·href="#a75869d6b1020a34b3014f64001058cea">&#9670;&nbsp;</a></span>VERBOSITY</h2>
  
154 <div·class="memitem">154 <div·class="memitem">
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174 <dl·class="params"><dt>Parameters</dt><dd>174 <dl·class="params"><dt>Parameters</dt><dd>
175 ··<table·class="params">175 ··<table·class="params">
176 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>176 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>
177 ··</table>177 ··</table>
178 ··</dd>178 ··</dd>
179 </dl>179 </dl>
  
180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db3/a01751_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../d5/db3/a01751_source.html">pair6_12RDFIntegrator.h</a>.</p>180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">pair6_12RDFIntegrator.h</a>.</p>
  
181 </div>181 </div>
182 </div>182 </div>
183 </div><!--·contents·-->183 </div><!--·contents·-->
184 <!--·start·footer·part·-->184 <!--·start·footer·part·-->
185 <hr·class="footer"/><address·class="footer"><small>185 <hr·class="footer"/><address·class="footer"><small>
186 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4186 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d8/dc4/a04487.html">List·of·all·members</a>··</div>71 <a·href="../../d8/dc4/a04487.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Bond::NotBound·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Bond::NotBound·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/KERNEL/bond.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/KERNEL/bond.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Bond::NotBound:</div>77 Inheritance·diagram·for·BALL::Bond::NotBound:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d5/d47/a04490.png"·usemap="#BALL::Bond::NotBound_map"·alt=""/>80 ··<img·src="../../d5/d47/a04490.png"·usemap="#BALL::Bond::NotBound_map"·alt=""/>
81 ··<map·id="BALL::Bond::NotBound_map"·name="BALL::Bond::NotBound_map">81 ··<map·id="BALL::Bond::NotBound_map"·name="BALL::Bond::NotBound_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>Not·bound·to·two·atoms.·This·exception·may·be·thrown·by·<a·class="el"·href="../../df/dd2/a04486.html#aa107cbcdcc60ce27ccb05ce09eaf1f70">getLength·</a>·if·this·instance·is·not·bound.·</p>136 <div·class="textblock"><p·>Not·bound·to·two·atoms.·This·exception·may·be·thrown·by·<a·class="el"·href="../../df/dd2/a04486.html#aa107cbcdcc60ce27ccb05ce09eaf1f70">getLength·</a>·if·this·instance·is·not·bound.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/def/a00359_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../d4/def/a00359_source.html">bond.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dae/a00563_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../dc/dae/a00563_source.html">bond.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="a5105a3a6b51f4c7b5747e9246237ccaa"·name="a5105a3a6b51f4c7b5747e9246237ccaa"></a>139 <a·id="a5105a3a6b51f4c7b5747e9246237ccaa"·name="a5105a3a6b51f4c7b5747e9246237ccaa"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a5105a3a6b51f4c7b5747e9246237ccaa">&#9670;&nbsp;</a></span>NotBound()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a5105a3a6b51f4c7b5747e9246237ccaa">&#9670;&nbsp;</a></span>NotBound()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
142 <div·class="memproto">142 <div·class="memproto">
143 ······<table·class="memname">143 ······<table·class="memname">
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71 ··<div·class="headertitle"><div·class="title">interactionMode.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">representation.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/db8/a00797_source.html">BALL/CONCEPT/property.h</a>&gt;</code><br·/>
75 <code>#include·&lt;QtCore/QPoint&gt;</code><br·/> 
76 <code>#include·&lt;QtCore/QSize&gt;</code><br·/> 
77 <code>#include·&lt;QtCore/QObject&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d7/dcf/a00845_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../df/d0c/a00788_source.html">BALL/CONCEPT/molecularInformation.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d0/d22/a01049_source.html">BALL/VIEW/KERNEL/modelInformation.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../dc/d47/a01487_source.html">BALL/VIEW/MODELS/modelProcessor.h</a>&gt;</code><br·/>
 81 <code>#include·&lt;<a·class="el"·href="../../dc/d96/a01517_source.html">BALL/VIEW/MODELS/colorProcessor.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;BALL/VIEW/KERNEL/representation.iC&gt;</code><br·/>
78 </div>83 </div>
79 <p><a·href="../../d5/d4c/a01058_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d5/d4c/a01058_source.html">Go·to·the·source·code·of·this·file.</a></p>
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 99 Typedefs</h2></td></tr>
 100 <tr·class="memitem:a4773b4ec1f8307cffbe3ef401244c9f9"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::list&lt;·Representation·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html#a4773b4ec1f8307cffbe3ef401244c9f9">BALL::VIEW::RepresentationList</a></td></tr>
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73 ··<div·class="headertitle"><div·class="title">BALL::GeneralizedBornModel·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::GeneralizedBornModel·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../dd/d20/a01772_source.html">BALL/SOLVATION/generalizedBornCase.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dd/d19/a01922_source.html">BALL/SOLVATION/generalizedBornCase.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
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79 Classes</h2></td></tr>79 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dd0/a06486.html">Default</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dd0/a06486.html">Default</a></td></tr>
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125 Macromolecules"·Onufriev,·Bashford,·Case·J.·Phys.·Chem.·B·104:3712-3720,·2000</p>125 Macromolecules"·Onufriev,·Bashford,·Case·J.·Phys.·Chem.·B·104:3712-3720,·2000</p>
126 <p·>This·paper·uses·techniques·from</p>126 <p·>This·paper·uses·techniques·from</p>
127 <p·>[2]·"Semianalytical·Treatment·of·Solvation·for·Molecular127 <p·>[2]·"Semianalytical·Treatment·of·Solvation·for·Molecular
128 Mechanics·and·Dynamics"·Still,·Tempczyk,·Hawley,·Hendrickson·J.·Am.·Chem.·Soc.·112(16):6127-6129,·1990</p>128 Mechanics·and·Dynamics"·Still,·Tempczyk,·Hawley,·Hendrickson·J.·Am.·Chem.·Soc.·112(16):6127-6129,·1990</p>
129 <p·>[3]·"Application·of·a·pairwise·generalized·Born·model·to129 <p·>[3]·"Application·of·a·pairwise·generalized·Born·model·to
130 proteins·and·nucleic·acids:·inclusion·of·salt·eff¤ects·"·Srinivasan,·Trevathan,·Beroza,·Case·Theor.·Chem.·Acc.·101(6):426-434,·1999·</p>130 proteins·and·nucleic·acids:·inclusion·of·salt·eff¤ects·"·Srinivasan,·Trevathan,·Beroza,·Case·Theor.·Chem.·Acc.·101(6):426-434,·1999·</p>
  
131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d20/a01772_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../dd/d20/a01772_source.html">generalizedBornCase.h</a>.</p>131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d19/a01922_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../dd/d19/a01922_source.html">generalizedBornCase.h</a>.</p>
132 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>132 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
133 <a·id="a640382ebf8cc65602c63a00fe2740f41"·name="a640382ebf8cc65602c63a00fe2740f41"></a>133 <a·id="a640382ebf8cc65602c63a00fe2740f41"·name="a640382ebf8cc65602c63a00fe2740f41"></a>
134 <h2·class="memtitle"><span·class="permalink"><a·href="#a640382ebf8cc65602c63a00fe2740f41">&#9670;&nbsp;</a></span>GeneralizedBornModel()</h2>134 <h2·class="memtitle"><span·class="permalink"><a·href="#a640382ebf8cc65602c63a00fe2740f41">&#9670;&nbsp;</a></span>GeneralizedBornModel()</h2>
  
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136 <div·class="memproto">136 <div·class="memproto">
137 ······<table·class="memname">137 ······<table·class="memname">
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71 ··<div·class="headertitle"><div·class="title">SASVertex.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">hashMap.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d0f/a00644_source.html">BALL/STRUCTURE/graphVertex.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d2/d94/a00716_source.html">BALL/DATATYPE/triple.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d6/dc0/a00734_source.html">BALL/DATATYPE/quadruple.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;boost/unordered_map.hpp&gt;</code><br·/>
 79 <code>#include·&lt;boost/functional/hash.hpp&gt;</code><br·/>
76 </div>80 </div>
77 <p><a·href="../../d5/d5b/a00695_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../d5/d5b/a00695_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">82 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>84 Classes</h2></td></tr>
 85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d65/a03518.html">boost::hash&lt;·BALL::String·&gt;</a></td></tr>
 86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d7f/a03522.html">boost::hash&lt;·BALL::Triple&lt;·T1,·T2,·T3·&gt;·&gt;</a></td></tr>
 88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d19/a03526.html">boost::hash&lt;·BALL::Quadruple&lt;·T1,·T2,·T3,·T4·&gt;·&gt;</a></td></tr>
 90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dcc/a07138.html">BALL::SASVertex</a></td></tr>91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/de9/a03530.html">BALL::HashMap&lt;·Key,·T·&gt;</a></td></tr>
 92 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d0/de9/a03530.html"·title="HashMap·class·based·on·the·STL·map·(containing·serveral·convenience·functions)">HashMap</a>·class·based·on·the·STL·map·(containing·serveral·convenience·functions)··<a·href="../../d0/de9/a03530.html#details">More...</a><br·/></td></tr>
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89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
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92 <tr·class="memitem:gaabdd319478a7cf1db2ec4c4dfcc5481f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gaabdd319478a7cf1db2ec4c4dfcc5481f">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·SASVertex·&amp;sasvertex)</td></tr> 
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66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">clippingPlane.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">dockWidget.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d7d/a01880_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d6/d80/a01076_source.html">BALL/VIEW/KERNEL/representation.h</a>&gt;</code><br·/>75 <code>#include·&lt;QtWidgets/QDockWidget&gt;</code><br·/>
 76 <code>#include·&lt;QtGui/QDropEvent&gt;</code><br·/>
 77 <code>#include·&lt;QtGui/QMouseEvent&gt;</code><br·/>
 78 <code>#include·&lt;QtWidgets/QGridLayout&gt;</code><br·/>
76 </div>79 </div>
77 <p><a·href="../../d5/d67/a01070_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../d5/d67/a01070_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">81 <table·class="memberdecls">
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85 Namespaces</h2></td></tr>88 Namespaces</h2></td></tr>
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66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">label.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">POVRenderer.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
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76 <code>#include·&lt;QtGui/QFont&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
77 </div>78 </div>
78 <p><a·href="../../d5/d67/a01466_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d5/d67/a01466_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">80 <table·class="memberdecls">
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73 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;73 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
74 <a·href="../../d6/d08/a08367.html">List·of·all·members</a>··</div>74 <a·href="../../d6/d08/a08367.html">List·of·all·members</a>··</div>
75 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DatasetControl·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/deb/a02214.html">Modular·Widgets</a></div></div></div>75 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DatasetControl·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/deb/a02214.html">Modular·Widgets</a></div></div></div>
76 </div><!--header-->76 </div><!--header-->
77 <div·class="contents">77 <div·class="contents">
  
78 <p><code>#include·&lt;<a·class="el"·href="../../da/d0a/a01526_source.html">BALL/VIEW/WIDGETS/datasetControl.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../df/dd5/a01115_source.html">BALL/VIEW/WIDGETS/datasetControl.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
80 Inheritance·diagram·for·BALL::VIEW::DatasetControl:</div>80 Inheritance·diagram·for·BALL::VIEW::DatasetControl:</div>
81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../d5/d68/a08370.png"·usemap="#BALL::VIEW::DatasetControl_map"·alt=""/>83 ··<img·src="../../d5/d68/a08370.png"·usemap="#BALL::VIEW::DatasetControl_map"·alt=""/>
84 ··<map·id="BALL::VIEW::DatasetControl_map"·name="BALL::VIEW::DatasetControl_map">84 ··<map·id="BALL::VIEW::DatasetControl_map"·name="BALL::VIEW::DatasetControl_map">
85 <area·href="../../db/dff/a08390.html"·alt="BALL::VIEW::GenericControl"·shape="rect"·coords="98,168,285,192"/>85 <area·href="../../db/dff/a08390.html"·alt="BALL::VIEW::GenericControl"·shape="rect"·coords="98,168,285,192"/>
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337 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>337 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
338 <div·class="textblock"><p·><a·class="el"·href="../../d5/d68/a08370.html">DatasetControl</a>·is·a·widget·to·manage·and·manipulate·arbitrary·data·types.·For·each·type·a·derived·<a·class="el"·href="../../de/dbd/a07482.html">DatasetController</a>·class·must·be·registered.·The·<a·class="el"·href="../../d5/d68/a08370.html">DatasetControl</a>·has·three·columns:·Name,·from·(<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>)·and·Type.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d5/d68/a08370.html">DatasetControl</a>·</dd>338 <div·class="textblock"><p·><a·class="el"·href="../../d5/d68/a08370.html">DatasetControl</a>·is·a·widget·to·manage·and·manipulate·arbitrary·data·types.·For·each·type·a·derived·<a·class="el"·href="../../de/dbd/a07482.html">DatasetController</a>·class·must·be·registered.·The·<a·class="el"·href="../../d5/d68/a08370.html">DatasetControl</a>·has·three·columns:·Name,·from·(<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>)·and·Type.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d5/d68/a08370.html">DatasetControl</a>·</dd>
339 <dd>339 <dd>
340 <a·class="el"·href="../../dd/d74/a07478.html">Dataset</a>·</dd>340 <a·class="el"·href="../../dd/d74/a07478.html">Dataset</a>·</dd>
341 <dd>341 <dd>
342 <a·class="el"·href="../../de/d19/a07822.html">DatasetMessage</a>·</dd></dl>342 <a·class="el"·href="../../de/d19/a07822.html">DatasetMessage</a>·</dd></dl>
  
343 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d0a/a01526_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../da/d0a/a01526_source.html">datasetControl.h</a>.</p>343 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dd5/a01115_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../df/dd5/a01115_source.html">datasetControl.h</a>.</p>
344 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>344 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
345 <a·id="a1a2e46c74572c166f679eb312494451a"·name="a1a2e46c74572c166f679eb312494451a"></a>345 <a·id="a1a2e46c74572c166f679eb312494451a"·name="a1a2e46c74572c166f679eb312494451a"></a>
346 <h2·class="memtitle"><span·class="permalink"><a·href="#a1a2e46c74572c166f679eb312494451a">&#9670;&nbsp;</a></span>DatasetControl()·<span·class="overload">[1/2]</span></h2>346 <h2·class="memtitle"><span·class="permalink"><a·href="#a1a2e46c74572c166f679eb312494451a">&#9670;&nbsp;</a></span>DatasetControl()·<span·class="overload">[1/2]</span></h2>
  
347 <div·class="memitem">347 <div·class="memitem">
348 <div·class="memproto">348 <div·class="memproto">
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806 ··</td>806 ··</td>
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808 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>808 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
809 ··</tr>809 ··</tr>
810 </table>810 </table>
811 </div><div·class="memdoc">811 </div><div·class="memdoc">
  
812 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d0a/a01526_source.html#l00136">136</a>·of·file·<a·class="el"·href="../../da/d0a/a01526_source.html">datasetControl.h</a>.</p>812 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dd5/a01115_source.html#l00136">136</a>·of·file·<a·class="el"·href="../../df/dd5/a01115_source.html">datasetControl.h</a>.</p>
  
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63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
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66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">typenameRuleProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">lineBasedFile.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d8a/a00899_source.html">BALL/MOLMEC/COMMON/ruleProcessor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;vector&gt;</code><br·/>
 76 <code>#include·&lt;BALL/FORMAT/lineBasedFile.iC&gt;</code><br·/>
75 </div>77 </div>
76 <p><a·href="../../d5/d69/a00878_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d5/d69/a00878_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">79 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>81 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d8c/a05130.html">BALL::TypenameRuleProcessor</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d61/a03950.html">BALL::LineBasedFile</a></td></tr>
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84 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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71 <a·href="../../d0/d18/a07667.html">List·of·all·members</a>··</div>71 <a·href="../../d0/d18/a07667.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::OpenSavePreferences·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::OpenSavePreferences·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/da5/a01424_source.html">BALL/VIEW/DIALOGS/openSavePreferences.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/d25/a01157_source.html">BALL/VIEW/DIALOGS/openSavePreferences.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::OpenSavePreferences:</div>77 Inheritance·diagram·for·BALL::VIEW::OpenSavePreferences:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d5/d6a/a07670.png"·usemap="#BALL::VIEW::OpenSavePreferences_map"·alt=""/>80 ··<img·src="../../d5/d6a/a07670.png"·usemap="#BALL::VIEW::OpenSavePreferences_map"·alt=""/>
81 ··<map·id="BALL::VIEW::OpenSavePreferences_map"·name="BALL::VIEW::OpenSavePreferences_map">81 ··<map·id="BALL::VIEW::OpenSavePreferences_map"·name="BALL::VIEW::OpenSavePreferences_map">
82 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,216,24"/>82 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,216,24"/>
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189 </table>189 </table>
190 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>190 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
191 <div·class="textblock">191 <div·class="textblock">
192 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da5/a01424_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d5/da5/a01424_source.html">openSavePreferences.h</a>.</p>192 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d25/a01157_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d9/d25/a01157_source.html">openSavePreferences.h</a>.</p>
193 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>193 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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195 <h2·class="memtitle"><span·class="permalink"><a·href="#a80ea8d3cc623171605ca728603836853">&#9670;&nbsp;</a></span>OpenSavePreferences()</h2>195 <h2·class="memtitle"><span·class="permalink"><a·href="#a80ea8d3cc623171605ca728603836853">&#9670;&nbsp;</a></span>OpenSavePreferences()</h2>
  
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_f03d71dde2003b483dd9e4436a4b37e3.html">MMFF94</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">MMFF94Torsion.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">DSN6File.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d17/a00872_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../dc/d2c/a00893_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../df/d88/a00962_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code><br·/> 
77 </div>76 </div>
78 <p><a·href="../../d5/d6c/a00977_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d5/d6c/a00977_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">78 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>80 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dcf/a05334.html">BALL::MMFF94Torsion</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d72/a03886.html">BALL::DSN6File</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da3/a05338.html">BALL::MMFF94Torsion::Torsion</a></td></tr> 
85 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">see·MMFFTOR.PAR··<a·href="../../da/da3/a05338.html#details">More...</a><br·/></td></tr> 
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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89 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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92 </table><table·class="memberdecls"> 
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
94 Macros</h2></td></tr> 
95 <tr><td·colspan="2"><div·class="groupHeader">Type·Definitions·&lt;br&gt;</div></td></tr> 
96 <tr·class="memitem:a49d176d52d345dbc6f2055613ca84ddf"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6c/a00977.html#a49d176d52d345dbc6f2055613ca84ddf">MMFF94_TORSIONS_ENABLED</a>&#160;&#160;&#160;&quot;enable·Torsions&quot;</td></tr> 
97 <tr·class="memdesc:a49d176d52d345dbc6f2055613ca84ddf"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·Torsions··<a·href="../../d5/d6c/a00977.html#a49d176d52d345dbc6f2055613ca84ddf">More...</a><br·/></td></tr> 
98 <tr·class="separator:a49d176d52d345dbc6f2055613ca84ddf"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
99 </table>88 </table>
100 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
101 <a·id="a49d176d52d345dbc6f2055613ca84ddf"·name="a49d176d52d345dbc6f2055613ca84ddf"></a> 
102 <h2·class="memtitle"><span·class="permalink"><a·href="#a49d176d52d345dbc6f2055613ca84ddf">&#9670;&nbsp;</a></span>MMFF94_TORSIONS_ENABLED</h2> 
  
103 <div·class="memitem"> 
104 <div·class="memproto"> 
105 ······<table·class="memname"> 
106 ········<tr> 
107 ··········<td·class="memname">#define·MMFF94_TORSIONS_ENABLED&#160;&#160;&#160;&quot;enable·Torsions&quot;</td> 
108 ········</tr> 
109 ······</table> 
110 </div><div·class="memdoc"> 
  
111 <p>flag·to·enable·Torsions·</p> 
  
112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d6c/a00977_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d5/d6c/a00977_source.html">MMFF94Torsion.h</a>.</p> 
  
113 </div> 
114 </div> 
115 </div><!--·contents·-->89 </div><!--·contents·-->
116 <!--·start·footer·part·-->90 <!--·start·footer·part·-->
117 <hr·class="footer"/><address·class="footer"><small>91 <hr·class="footer"/><address·class="footer"><small>
118 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.492 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 ··<div·class="headertitle"><div·class="title">BALL::CanonicalMD::AuxFactors·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::CanonicalMD::AuxFactors·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p>Helper·class·containing·auxiliary·factors.··75 <p>Helper·class·containing·auxiliary·factors.··
76 ·<a·href="../../d5/d6d/a05142.html#details">More...</a></p>76 ·<a·href="../../d5/d6d/a05142.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d3/de5/a00956_source.html">BALL/MOLMEC/MDSIMULATION/canonicalMD.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../db/dd9/a00179_source.html">BALL/MOLMEC/MDSIMULATION/canonicalMD.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
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80 Public·Attributes</h2></td></tr>80 Public·Attributes</h2></td></tr>
81 <tr·class="memitem:a30af31c24334dcc44457211b4914f5b5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6d/a05142.html#a30af31c24334dcc44457211b4914f5b5">factor1</a></td></tr>81 <tr·class="memitem:a30af31c24334dcc44457211b4914f5b5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6d/a05142.html#a30af31c24334dcc44457211b4914f5b5">factor1</a></td></tr>
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85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock"><p·>Helper·class·containing·auxiliary·factors.·</p>87 <div·class="textblock"><p·>Helper·class·containing·auxiliary·factors.·</p>
  
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00142">142</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">canonicalMD.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dd9/a00179_source.html#l00142">142</a>·of·file·<a·class="el"·href="../../db/dd9/a00179_source.html">canonicalMD.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="a30af31c24334dcc44457211b4914f5b5"·name="a30af31c24334dcc44457211b4914f5b5"></a>90 <a·id="a30af31c24334dcc44457211b4914f5b5"·name="a30af31c24334dcc44457211b4914f5b5"></a>
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97 ········</tr>97 ········</tr>
98 ······</table>98 ······</table>
99 </div><div·class="memdoc">99 </div><div·class="memdoc">
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00144">144</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">canonicalMD.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dd9/a00179_source.html#l00144">144</a>·of·file·<a·class="el"·href="../../db/dd9/a00179_source.html">canonicalMD.h</a>.</p>
  
101 </div>101 </div>
102 </div>102 </div>
103 <a·id="a4c73c81523a57913c51f46d513bf5ccf"·name="a4c73c81523a57913c51f46d513bf5ccf"></a>103 <a·id="a4c73c81523a57913c51f46d513bf5ccf"·name="a4c73c81523a57913c51f46d513bf5ccf"></a>
104 <h2·class="memtitle"><span·class="permalink"><a·href="#a4c73c81523a57913c51f46d513bf5ccf">&#9670;&nbsp;</a></span>factor2</h2>104 <h2·class="memtitle"><span·class="permalink"><a·href="#a4c73c81523a57913c51f46d513bf5ccf">&#9670;&nbsp;</a></span>factor2</h2>
  
105 <div·class="memitem">105 <div·class="memitem">
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115 ········<tr>115 ········<tr>
116 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::CanonicalMD::AuxFactors::factor2</td>116 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::CanonicalMD::AuxFactors::factor2</td>
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121 </div>121 </div>
122 </div>122 </div>
123 </div><!--·contents·-->123 </div><!--·contents·-->
124 <!--·start·footer·part·-->124 <!--·start·footer·part·-->
125 <hr·class="footer"/><address·class="footer"><small>125 <hr·class="footer"/><address·class="footer"><small>
126 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4126 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 <a·href="../../d5/d79/a07435.html">List·of·all·members</a>··</div>72 <a·href="../../d5/d79/a07435.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::SimpleDownloaderHelper::DLHelper·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::SimpleDownloaderHelper::DLHelper·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d8/d9c/a01733_source.html">BALL/SYSTEM/simpleDownloader.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/SYSTEM/simpleDownloader.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::SimpleDownloaderHelper::DLHelper:</div>78 Inheritance·diagram·for·BALL::SimpleDownloaderHelper::DLHelper:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d5/d6d/a07438.png"·usemap="#BALL::SimpleDownloaderHelper::DLHelper_map"·alt=""/>81 ··<img·src="../../d5/d6d/a07438.png"·usemap="#BALL::SimpleDownloaderHelper::DLHelper_map"·alt=""/>
82 ··<map·id="BALL::SimpleDownloaderHelper::DLHelper_map"·name="BALL::SimpleDownloaderHelper::DLHelper_map">82 ··<map·id="BALL::SimpleDownloaderHelper::DLHelper_map"·name="BALL::SimpleDownloaderHelper::DLHelper_map">
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118 <tr·class="memitem:aae18a3e8fe91d992b4ce6303bd666005·inherit·pro_attribs_a07430"><td·class="memItemLeft"·align="right"·valign="top">QNetworkReply·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d8e/a07430.html#aae18a3e8fe91d992b4ce6303bd666005">reply_</a></td></tr>118 <tr·class="memitem:aae18a3e8fe91d992b4ce6303bd666005·inherit·pro_attribs_a07430"><td·class="memItemLeft"·align="right"·valign="top">QNetworkReply·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d8e/a07430.html#aae18a3e8fe91d992b4ce6303bd666005">reply_</a></td></tr>
119 <tr·class="separator:aae18a3e8fe91d992b4ce6303bd666005·inherit·pro_attribs_a07430"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:aae18a3e8fe91d992b4ce6303bd666005·inherit·pro_attribs_a07430"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock">122 <div·class="textblock">
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d9c/a01733_source.html#l00230">230</a>·of·file·<a·class="el"·href="../../d8/d9c/a01733_source.html">simpleDownloader.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5c/a00752_source.html#l00230">230</a>·of·file·<a·class="el"·href="../../dd/d5c/a00752_source.html">simpleDownloader.h</a>.</p>
124 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>124 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
125 <a·id="a552db790994913973d4d05261764d309"·name="a552db790994913973d4d05261764d309"></a>125 <a·id="a552db790994913973d4d05261764d309"·name="a552db790994913973d4d05261764d309"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a552db790994913973d4d05261764d309">&#9670;&nbsp;</a></span>DLHelper()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a552db790994913973d4d05261764d309">&#9670;&nbsp;</a></span>DLHelper()</h2>
  
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">charmmEEF1.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">randomAccessIterator.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d00/a00113_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d8/db7/a00812_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../dc/d1b/a00827_source.html">BALL/CONCEPT/bidirectionalIterator.h</a>&gt;</code><br·/>
76 </div>76 </div>
77 <p><a·href="../../d5/d72/a00803_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d5/d72/a00803_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>80 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d30/a05346.html">BALL::CharmmEEF1</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d24/a03358.html">BALL::ConstRandomAccessIterator&lt;·Container,·DataType,·Position,·Traits·&gt;</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dce/a03362.html">BALL::RandomAccessIterator&lt;·Container,·DataType,·Position,·Traits·&gt;</a></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d24/a05350.html">BALL::CharmmEEF1::Values</a></td></tr> 
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da3/a05354.html">BALL::CharmmEEF1::Data</a></td></tr> 
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89 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 </table><table·class="memberdecls">
 91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 92 Functions</h2></td></tr>
 93 <tr><td·colspan="2"><div·class="groupHeader">Generic·Constant·Random·Access·Iterator</div></td></tr>
 94 <tr·class="memitem:a902d381afb809b157ad674a3087377a1"><td·class="memTemplParams"·colspan="2">template&lt;typename·Container·,·typename·DataType·,·typename·Position·,·typename·Traits·&gt;·</td></tr>
 95 <tr·class="memitem:a902d381afb809b157ad674a3087377a1"><td·class="memTemplItemLeft"·align="right"·valign="top">ConstRandomAccessIterator&lt;·Container,·DataType,·Position,·Traits·&gt;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a902d381afb809b157ad674a3087377a1">BALL::operator+</a>·(Distance·distance,·const·ConstRandomAccessIterator&lt;·Container,·DataType,·Position,·Traits·&gt;·&amp;iterator)</td></tr>
 96 <tr·class="separator:a902d381afb809b157ad674a3087377a1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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95 <hr·class="footer"/><address·class="footer"><small>100 <hr·class="footer"/><address·class="footer"><small>
96 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../de/dd7/a07051.html">List·of·all·members</a>··</div>71 <a·href="../../de/dd7/a07051.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·BALL::SortedPosition2·&gt;·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·BALL::SortedPosition2·&gt;·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d0a/a00602_source.html">BALL/STRUCTURE/reducedSurface.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/STRUCTURE/reducedSurface.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:abb944ce5df087cc4fabe49e80023ad81"><td·class="memItemLeft"·align="right"·valign="top">size_t&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d78/a07054.html#abb944ce5df087cc4fabe49e80023ad81">operator()</a>·(const·<a·class="el"·href="../../de/d0a/a07046.html">BALL::SortedPosition2</a>·&amp;p)·const</td></tr>79 <tr·class="memitem:abb944ce5df087cc4fabe49e80023ad81"><td·class="memItemLeft"·align="right"·valign="top">size_t&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d78/a07054.html#abb944ce5df087cc4fabe49e80023ad81">operator()</a>·(const·<a·class="el"·href="../../de/d0a/a07046.html">BALL::SortedPosition2</a>·&amp;p)·const</td></tr>
80 <tr·class="separator:abb944ce5df087cc4fabe49e80023ad81"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:abb944ce5df087cc4fabe49e80023ad81"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock">83 <div·class="textblock">
84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0a/a00602_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../d5/d0a/a00602_source.html">reducedSurface.h</a>.</p>84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">reducedSurface.h</a>.</p>
85 </div><h2·class="groupheader">Member·Function·Documentation</h2>85 </div><h2·class="groupheader">Member·Function·Documentation</h2>
86 <a·id="abb944ce5df087cc4fabe49e80023ad81"·name="abb944ce5df087cc4fabe49e80023ad81"></a>86 <a·id="abb944ce5df087cc4fabe49e80023ad81"·name="abb944ce5df087cc4fabe49e80023ad81"></a>
87 <h2·class="memtitle"><span·class="permalink"><a·href="#abb944ce5df087cc4fabe49e80023ad81">&#9670;&nbsp;</a></span>operator()()</h2>87 <h2·class="memtitle"><span·class="permalink"><a·href="#abb944ce5df087cc4fabe49e80023ad81">&#9670;&nbsp;</a></span>operator()()</h2>
  
88 <div·class="memitem">88 <div·class="memitem">
89 <div·class="memproto">89 <div·class="memproto">
90 <table·class="mlabels">90 <table·class="mlabels">
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104 ··</td>104 ··</td>
105 ··<td·class="mlabels-right">105 ··<td·class="mlabels-right">
106 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>106 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
107 ··</tr>107 ··</tr>
108 </table>108 </table>
109 </div><div·class="memdoc">109 </div><div·class="memdoc">
  
110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0a/a00602_source.html#l00154">154</a>·of·file·<a·class="el"·href="../../d5/d0a/a00602_source.html">reducedSurface.h</a>.</p>110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00154">154</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">reducedSurface.h</a>.</p>
  
111 </div>111 </div>
112 </div>112 </div>
113 </div><!--·contents·-->113 </div><!--·contents·-->
114 <!--·start·footer·part·-->114 <!--·start·footer·part·-->
115 <hr·class="footer"/><address·class="footer"><small>115 <hr·class="footer"/><address·class="footer"><small>
116 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4116 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="#pro-slots">Protected·Slots</a>·&#124;72 <a·href="#pro-slots">Protected·Slots</a>·&#124;
73 <a·href="../../d8/dc0/a08543.html">List·of·all·members</a>··</div>73 <a·href="../../d8/dc0/a08543.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShortcutTableView·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShortcutTableView·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d6/d83/a01544_source.html">BALL/VIEW/WIDGETS/shortcutTableView.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../dd/de4/a01121_source.html">BALL/VIEW/WIDGETS/shortcutTableView.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::VIEW::ShortcutTableView:</div>79 Inheritance·diagram·for·BALL::VIEW::ShortcutTableView:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d5/d80/a08546.png"·usemap="#BALL::VIEW::ShortcutTableView_map"·alt=""/>82 ··<img·src="../../d5/d80/a08546.png"·usemap="#BALL::VIEW::ShortcutTableView_map"·alt=""/>
83 ··<map·id="BALL::VIEW::ShortcutTableView_map"·name="BALL::VIEW::ShortcutTableView_map">83 ··<map·id="BALL::VIEW::ShortcutTableView_map"·name="BALL::VIEW::ShortcutTableView_map">
84 <area·href="../../d0/da8/a20302.html"·alt="QTableView"·shape="rect"·coords="0,0,192,24"/>84 <area·href="../../d0/da8/a20302.html"·alt="QTableView"·shape="rect"·coords="0,0,192,24"/>
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105 <tr·class="memitem:a8f9488bde1100e0bcaf249f0d6206d8e"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d80/a08546.html#a8f9488bde1100e0bcaf249f0d6206d8e">editSuccess_</a>·()</td></tr>105 <tr·class="memitem:a8f9488bde1100e0bcaf249f0d6206d8e"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d80/a08546.html#a8f9488bde1100e0bcaf249f0d6206d8e">editSuccess_</a>·()</td></tr>
106 <tr·class="separator:a8f9488bde1100e0bcaf249f0d6206d8e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>106 <tr·class="separator:a8f9488bde1100e0bcaf249f0d6206d8e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
107 <tr·class="memitem:a0d3206c93aa8be3c64fc69734a2d2fc0"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d80/a08546.html#a0d3206c93aa8be3c64fc69734a2d2fc0">onClick</a>·(const·QModelIndex·&amp;index)</td></tr>107 <tr·class="memitem:a0d3206c93aa8be3c64fc69734a2d2fc0"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d80/a08546.html#a0d3206c93aa8be3c64fc69734a2d2fc0">onClick</a>·(const·QModelIndex·&amp;index)</td></tr>
108 <tr·class="separator:a0d3206c93aa8be3c64fc69734a2d2fc0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>108 <tr·class="separator:a0d3206c93aa8be3c64fc69734a2d2fc0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
109 </table>109 </table>
110 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>110 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
111 <div·class="textblock">111 <div·class="textblock">
112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d83/a01544_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d6/d83/a01544_source.html">shortcutTableView.h</a>.</p>112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de4/a01121_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../dd/de4/a01121_source.html">shortcutTableView.h</a>.</p>
113 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>113 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
114 <a·id="adedde5d4de46d4f458aab7342300e768"·name="adedde5d4de46d4f458aab7342300e768"></a>114 <a·id="adedde5d4de46d4f458aab7342300e768"·name="adedde5d4de46d4f458aab7342300e768"></a>
115 <h2·class="memtitle"><span·class="permalink"><a·href="#adedde5d4de46d4f458aab7342300e768">&#9670;&nbsp;</a></span>ShortcutTableView()</h2>115 <h2·class="memtitle"><span·class="permalink"><a·href="#adedde5d4de46d4f458aab7342300e768">&#9670;&nbsp;</a></span>ShortcutTableView()</h2>
  
116 <div·class="memitem">116 <div·class="memitem">
117 <div·class="memproto">117 <div·class="memproto">
118 ······<table·class="memname">118 ······<table·class="memname">
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109 ········</tr>109 ········</tr>
110 ······</table>110 ······</table>
111 </div><div·class="memdoc">111 </div><div·class="memdoc">
  
112 <p>One-dimensional·spectrum.·</p>112 <p>One-dimensional·spectrum.·</p>
113 <p·>Convenience·typedefs·</p>113 <p·>Convenience·typedefs·</p>
  
114 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d5f/a00461_source.html#l00319">319</a>·of·file·<a·class="el"·href="../../d5/d5f/a00461_source.html">spectrum.h</a>.</p>114 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d3a/a01622_source.html#l00319">319</a>·of·file·<a·class="el"·href="../../d1/d3a/a01622_source.html">spectrum.h</a>.</p>
  
115 </div>115 </div>
116 </div>116 </div>
117 <h2·class="groupheader">Function·Documentation</h2>117 <h2·class="groupheader">Function·Documentation</h2>
118 <a·id="gada6b196233d4e5313ee8656cb30bac5c"·name="gada6b196233d4e5313ee8656cb30bac5c"></a>118 <a·id="gada6b196233d4e5313ee8656cb30bac5c"·name="gada6b196233d4e5313ee8656cb30bac5c"></a>
119 <h2·class="memtitle"><span·class="permalink"><a·href="#gada6b196233d4e5313ee8656cb30bac5c">&#9670;&nbsp;</a></span>operator&lt;&lt;()</h2>119 <h2·class="memtitle"><span·class="permalink"><a·href="#gada6b196233d4e5313ee8656cb30bac5c">&#9670;&nbsp;</a></span>operator&lt;&lt;()</h2>
  
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../d2/d78/a03431.html">List·of·all·members</a>··</div>72 <a·href="../../d2/d78/a03431.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::GRAPH::EditableEdgeCopier&lt;·Graph1,·Graph2·&gt;·Struct·Template·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::GRAPH::EditableEdgeCopier&lt;·Graph1,·Graph2·&gt;·Struct·Template·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d07/a01913_source.html">BALL/DATATYPE/GRAPH/graphAlgorithms.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../df/d3b/a00728_source.html">BALL/DATATYPE/GRAPH/graphAlgorithms.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a6e86348c9d62bdf71404e88c54f36bbd"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d85/a03434.html#a6e86348c9d62bdf71404e88c54f36bbd">EditableEdgeCopier</a>·(const·Graph1·&amp;,·Graph2·&amp;g2)</td></tr>80 <tr·class="memitem:a6e86348c9d62bdf71404e88c54f36bbd"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d85/a03434.html#a6e86348c9d62bdf71404e88c54f36bbd">EditableEdgeCopier</a>·(const·Graph1·&amp;,·Graph2·&amp;g2)</td></tr>
81 <tr·class="separator:a6e86348c9d62bdf71404e88c54f36bbd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a6e86348c9d62bdf71404e88c54f36bbd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:a38fa8102ffc43cca67abc45a8a309713"><td·class="memTemplParams"·colspan="2">template&lt;typename·Edge1·,·typename·Edge2·&gt;·</td></tr>82 <tr·class="memitem:a38fa8102ffc43cca67abc45a8a309713"><td·class="memTemplParams"·colspan="2">template&lt;typename·Edge1·,·typename·Edge2·&gt;·</td></tr>
83 <tr·class="memitem:a38fa8102ffc43cca67abc45a8a309713"><td·class="memTemplItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../d5/d85/a03434.html#a38fa8102ffc43cca67abc45a8a309713">operator()</a>·(const·Edge1·&amp;e1,·Edge2·&amp;e2)·const</td></tr>83 <tr·class="memitem:a38fa8102ffc43cca67abc45a8a309713"><td·class="memTemplItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../d5/d85/a03434.html#a38fa8102ffc43cca67abc45a8a309713">operator()</a>·(const·Edge1·&amp;e1,·Edge2·&amp;e2)·const</td></tr>
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88 Public·Attributes</h2></td></tr>88 Public·Attributes</h2></td></tr>
89 <tr·class="memitem:a7e46700896326bbae77e561c852be3a1"><td·class="memItemLeft"·align="right"·valign="top">boost::property_map&lt;·Graph2,·<a·class="el"·href="../../d6/d41/a02222.html#a7ea3d66609d49526a0f1d9e41acbfe45">boost::edge_orig_ptr_t</a>·&gt;::type&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d85/a03434.html#a7e46700896326bbae77e561c852be3a1">edge_orig_map</a></td></tr>89 <tr·class="memitem:a7e46700896326bbae77e561c852be3a1"><td·class="memItemLeft"·align="right"·valign="top">boost::property_map&lt;·Graph2,·<a·class="el"·href="../../d6/d41/a02222.html#a7ea3d66609d49526a0f1d9e41acbfe45">boost::edge_orig_ptr_t</a>·&gt;::type&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d85/a03434.html#a7e46700896326bbae77e561c852be3a1">edge_orig_map</a></td></tr>
90 <tr·class="separator:a7e46700896326bbae77e561c852be3a1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a7e46700896326bbae77e561c852be3a1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table>91 </table>
92 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>92 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
93 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·Graph1,·typename·Graph2&gt;<br·/>93 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·Graph1,·typename·Graph2&gt;<br·/>
94 struct·BALL::GRAPH::EditableEdgeCopier&lt;·Graph1,·Graph2·&gt;</div>94 struct·BALL::GRAPH::EditableEdgeCopier&lt;·Graph1,·Graph2·&gt;</div>
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d07/a01913_source.html#l00093">93</a>·of·file·<a·class="el"·href="../../d4/d07/a01913_source.html">graphAlgorithms.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00093">93</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
97 <a·id="a6e86348c9d62bdf71404e88c54f36bbd"·name="a6e86348c9d62bdf71404e88c54f36bbd"></a>97 <a·id="a6e86348c9d62bdf71404e88c54f36bbd"·name="a6e86348c9d62bdf71404e88c54f36bbd"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e86348c9d62bdf71404e88c54f36bbd">&#9670;&nbsp;</a></span>EditableEdgeCopier()</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e86348c9d62bdf71404e88c54f36bbd">&#9670;&nbsp;</a></span>EditableEdgeCopier()</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 <div·class="memtemplate">101 <div·class="memtemplate">
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126 ··</td>126 ··</td>
127 ··<td·class="mlabels-right">127 ··<td·class="mlabels-right">
128 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>128 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
129 ··</tr>129 ··</tr>
130 </table>130 </table>
131 </div><div·class="memdoc">131 </div><div·class="memdoc">
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d07/a01913_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../d4/d07/a01913_source.html">graphAlgorithms.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
  
133 </div>133 </div>
134 </div>134 </div>
135 <h2·class="groupheader">Member·Function·Documentation</h2>135 <h2·class="groupheader">Member·Function·Documentation</h2>
136 <a·id="a38fa8102ffc43cca67abc45a8a309713"·name="a38fa8102ffc43cca67abc45a8a309713"></a>136 <a·id="a38fa8102ffc43cca67abc45a8a309713"·name="a38fa8102ffc43cca67abc45a8a309713"></a>
137 <h2·class="memtitle"><span·class="permalink"><a·href="#a38fa8102ffc43cca67abc45a8a309713">&#9670;&nbsp;</a></span>operator()()</h2>137 <h2·class="memtitle"><span·class="permalink"><a·href="#a38fa8102ffc43cca67abc45a8a309713">&#9670;&nbsp;</a></span>operator()()</h2>
  
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169 ··</td>169 ··</td>
170 ··<td·class="mlabels-right">170 ··<td·class="mlabels-right">
171 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>171 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
172 ··</tr>172 ··</tr>
173 </table>173 </table>
174 </div><div·class="memdoc">174 </div><div·class="memdoc">
  
175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d07/a01913_source.html#l00100">100</a>·of·file·<a·class="el"·href="../../d4/d07/a01913_source.html">graphAlgorithms.h</a>.</p>175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00100">100</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
  
176 </div>176 </div>
177 </div>177 </div>
178 <h2·class="groupheader">Member·Data·Documentation</h2>178 <h2·class="groupheader">Member·Data·Documentation</h2>
179 <a·id="a7e46700896326bbae77e561c852be3a1"·name="a7e46700896326bbae77e561c852be3a1"></a>179 <a·id="a7e46700896326bbae77e561c852be3a1"·name="a7e46700896326bbae77e561c852be3a1"></a>
180 <h2·class="memtitle"><span·class="permalink"><a·href="#a7e46700896326bbae77e561c852be3a1">&#9670;&nbsp;</a></span>edge_orig_map</h2>180 <h2·class="memtitle"><span·class="permalink"><a·href="#a7e46700896326bbae77e561c852be3a1">&#9670;&nbsp;</a></span>edge_orig_map</h2>
  
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196 ··</td>196 ··</td>
197 ··<td·class="mlabels-right">197 ··<td·class="mlabels-right">
198 <span·class="mlabels"><span·class="mlabel">mutable</span></span>··</td>198 <span·class="mlabels"><span·class="mlabel">mutable</span></span>··</td>
199 ··</tr>199 ··</tr>
200 </table>200 </table>
201 </div><div·class="memdoc">201 </div><div·class="memdoc">
  
202 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d07/a01913_source.html#l00105">105</a>·of·file·<a·class="el"·href="../../d4/d07/a01913_source.html">graphAlgorithms.h</a>.</p>202 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00105">105</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
  
203 </div>203 </div>
204 </div>204 </div>
205 </div><!--·contents·-->205 </div><!--·contents·-->
206 <!--·start·footer·part·-->206 <!--·start·footer·part·-->
207 <hr·class="footer"/><address·class="footer"><small>207 <hr·class="footer"/><address·class="footer"><small>
208 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4208 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 ··<div·class="headertitle"><div·class="title">BALL::SnapShotManager::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SnapShotManager::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p>Local·class·for·handling·options.··75 <p>Local·class·for·handling·options.··
76 ·<a·href="../../d5/d87/a05118.html#details">More...</a></p>76 ·<a·href="../../d5/d87/a05118.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d0/d85/a00908_source.html">BALL/MOLMEC/COMMON/snapShotManager.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc1/a00092_source.html">BALL/MOLMEC/COMMON/snapShotManager.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
80 Static·Public·Attributes</h2></td></tr>80 Static·Public·Attributes</h2></td></tr>
81 <tr·class="memitem:a96b23672adeb796c72d0a79e45e1a388"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d87/a05118.html#a96b23672adeb796c72d0a79e45e1a388">FLUSH_TO_DISK_FREQUENCY</a></td></tr>81 <tr·class="memitem:a96b23672adeb796c72d0a79e45e1a388"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d87/a05118.html#a96b23672adeb796c72d0a79e45e1a388">FLUSH_TO_DISK_FREQUENCY</a></td></tr>
82 <tr·class="separator:a96b23672adeb796c72d0a79e45e1a388"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a96b23672adeb796c72d0a79e45e1a388"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock"><p·>Local·class·for·handling·options.·</p>85 <div·class="textblock"><p·>Local·class·for·handling·options.·</p>
  
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d85/a00908_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d0/d85/a00908_source.html">snapShotManager.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc1/a00092_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d1/dc1/a00092_source.html">snapShotManager.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="a96b23672adeb796c72d0a79e45e1a388"·name="a96b23672adeb796c72d0a79e45e1a388"></a>88 <a·id="a96b23672adeb796c72d0a79e45e1a388"·name="a96b23672adeb796c72d0a79e45e1a388"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#a96b23672adeb796c72d0a79e45e1a388">&#9670;&nbsp;</a></span>FLUSH_TO_DISK_FREQUENCY</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#a96b23672adeb796c72d0a79e45e1a388">&#9670;&nbsp;</a></span>FLUSH_TO_DISK_FREQUENCY</h2>
  
90 <div·class="memitem">90 <div·class="memitem">
91 <div·class="memproto">91 <div·class="memproto">
92 <table·class="mlabels">92 <table·class="mlabels">
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111 <dl·class="params"><dt>Parameters</dt><dd>111 <dl·class="params"><dt>Parameters</dt><dd>
112 ··<table·class="params">112 ··<table·class="params">
113 ····<tr><td·class="paramname">frequency</td><td>integer·</td></tr>113 ····<tr><td·class="paramname">frequency</td><td>integer·</td></tr>
114 ··</table>114 ··</table>
115 ··</dd>115 ··</dd>
116 </dl>116 </dl>
  
117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d85/a00908_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d0/d85/a00908_source.html">snapShotManager.h</a>.</p>117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc1/a00092_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d1/dc1/a00092_source.html">snapShotManager.h</a>.</p>
  
118 </div>118 </div>
119 </div>119 </div>
120 </div><!--·contents·-->120 </div><!--·contents·-->
121 <!--·start·footer·part·-->121 <!--·start·footer·part·-->
122 <hr·class="footer"/><address·class="footer"><small>122 <hr·class="footer"/><address·class="footer"><small>
123 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4123 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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135 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>135 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
136 ··</tr>136 ··</tr>
137 </table>137 </table>
138 </div><div·class="memdoc">138 </div><div·class="memdoc">
139 <p·>Hash·</p>139 <p·>Hash·</p>
  
140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d2d/a00047_source.html#l00910">910</a>·of·file·<a·class="el"·href="../../d6/d2d/a00047_source.html">PDBFile.h</a>.</p>140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d92/a00929_source.html#l00910">910</a>·of·file·<a·class="el"·href="../../dc/d92/a00929_source.html">PDBFile.h</a>.</p>
  
141 </div>141 </div>
142 </div>142 </div>
143 <a·id="gae6c9cc88925cc6a5cab8ef7fc8126983"·name="gae6c9cc88925cc6a5cab8ef7fc8126983"></a>143 <a·id="gae6c9cc88925cc6a5cab8ef7fc8126983"·name="gae6c9cc88925cc6a5cab8ef7fc8126983"></a>
144 <h2·class="memtitle"><span·class="permalink"><a·href="#gae6c9cc88925cc6a5cab8ef7fc8126983">&#9670;&nbsp;</a></span>operator&lt;&lt;()</h2>144 <h2·class="memtitle"><span·class="permalink"><a·href="#gae6c9cc88925cc6a5cab8ef7fc8126983">&#9670;&nbsp;</a></span>operator&lt;&lt;()</h2>
  
145 <div·class="memitem">145 <div·class="memitem">
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173 ··<td·class="mlabels-right">173 ··<td·class="mlabels-right">
174 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>174 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
175 ··</tr>175 ··</tr>
176 </table>176 </table>
177 </div><div·class="memdoc">177 </div><div·class="memdoc">
178 <p·>Operator·&lt;&lt;·</p>178 <p·>Operator·&lt;&lt;·</p>
  
179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d2d/a00047_source.html#l00920">920</a>·of·file·<a·class="el"·href="../../d6/d2d/a00047_source.html">PDBFile.h</a>.</p>179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d92/a00929_source.html#l00920">920</a>·of·file·<a·class="el"·href="../../dc/d92/a00929_source.html">PDBFile.h</a>.</p>
  
180 </div>180 </div>
181 </div>181 </div>
182 </div><!--·contents·-->182 </div><!--·contents·-->
183 <!--·start·footer·part·-->183 <!--·start·footer·part·-->
184 <hr·class="footer"/><address·class="footer"><small>184 <hr·class="footer"/><address·class="footer"><small>
185 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4185 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d1/d64/a05739.html">List·of·all·members</a>··</div>70 <a·href="../../d1/d64/a05739.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::KPLSModel·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::KPLSModel·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d5/da1/a01988_source.html">BALL/QSAR/kplsModel.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../db/dbc/a00395_source.html">BALL/QSAR/kplsModel.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::QSAR::KPLSModel:</div>76 Inheritance·diagram·for·BALL::QSAR::KPLSModel:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d5/d88/a05742.png"·usemap="#BALL::QSAR::KPLSModel_map"·alt=""/>79 ··<img·src="../../d5/d88/a05742.png"·usemap="#BALL::QSAR::KPLSModel_map"·alt=""/>
80 ··<map·id="BALL::QSAR::KPLSModel_map"·name="BALL::QSAR::KPLSModel_map">80 ··<map·id="BALL::QSAR::KPLSModel_map"·name="BALL::QSAR::KPLSModel_map">
81 <area·href="../../db/dd1/a05730.html"·alt="BALL::QSAR::KernelModel"·shape="rect"·coords="0,168,207,192"/>81 <area·href="../../db/dd1/a05730.html"·alt="BALL::QSAR::KernelModel"·shape="rect"·coords="0,168,207,192"/>
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298 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>298 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
299 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>299 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>
300 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>300 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
301 </table>301 </table>
302 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>302 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
303 <div·class="textblock"><p·>kernel·partial-least-squares·class·</p>303 <div·class="textblock"><p·>kernel·partial-least-squares·class·</p>
  
304 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da1/a01988_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d5/da1/a01988_source.html">kplsModel.h</a>.</p>304 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dbc/a00395_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../db/dbc/a00395_source.html">kplsModel.h</a>.</p>
305 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>305 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
306 <a·id="ac4091971c4b5b7da0865847ba772d3fd"·name="ac4091971c4b5b7da0865847ba772d3fd"></a>306 <a·id="ac4091971c4b5b7da0865847ba772d3fd"·name="ac4091971c4b5b7da0865847ba772d3fd"></a>
307 <h2·class="memtitle"><span·class="permalink"><a·href="#ac4091971c4b5b7da0865847ba772d3fd">&#9670;&nbsp;</a></span>KPLSModel()·<span·class="overload">[1/4]</span></h2>307 <h2·class="memtitle"><span·class="permalink"><a·href="#ac4091971c4b5b7da0865847ba772d3fd">&#9670;&nbsp;</a></span>KPLSModel()·<span·class="overload">[1/4]</span></h2>
  
308 <div·class="memitem">308 <div·class="memitem">
309 <div·class="memproto">309 <div·class="memproto">
310 ······<table·class="memname">310 ······<table·class="memname">
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652 ··</td>652 ··</td>
653 ··<td·class="mlabels-right">653 ··<td·class="mlabels-right">
654 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>654 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
655 ··</tr>655 ··</tr>
656 </table>656 </table>
657 </div><div·class="memdoc">657 </div><div·class="memdoc">
  
658 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da1/a01988_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d5/da1/a01988_source.html">kplsModel.h</a>.</p>658 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dbc/a00395_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../db/dbc/a00395_source.html">kplsModel.h</a>.</p>
  
659 </div>659 </div>
660 </div>660 </div>
661 <a·id="ab1f3a1cce7cbf0f438213ff9850a19f8"·name="ab1f3a1cce7cbf0f438213ff9850a19f8"></a>661 <a·id="ab1f3a1cce7cbf0f438213ff9850a19f8"·name="ab1f3a1cce7cbf0f438213ff9850a19f8"></a>
662 <h2·class="memtitle"><span·class="permalink"><a·href="#ab1f3a1cce7cbf0f438213ff9850a19f8">&#9670;&nbsp;</a></span>U_</h2>662 <h2·class="memtitle"><span·class="permalink"><a·href="#ab1f3a1cce7cbf0f438213ff9850a19f8">&#9670;&nbsp;</a></span>U_</h2>
  
663 <div·class="memitem">663 <div·class="memitem">
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676 ··</td>676 ··</td>
677 ··<td·class="mlabels-right">677 ··<td·class="mlabels-right">
678 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>678 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
679 ··</tr>679 ··</tr>
680 </table>680 </table>
681 </div><div·class="memdoc">681 </div><div·class="memdoc">
  
682 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da1/a01988_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../d5/da1/a01988_source.html">kplsModel.h</a>.</p>682 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dbc/a00395_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../db/dbc/a00395_source.html">kplsModel.h</a>.</p>
  
683 </div>683 </div>
684 </div>684 </div>
685 </div><!--·contents·-->685 </div><!--·contents·-->
686 <!--·start·footer·part·-->686 <!--·start·footer·part·-->
687 <hr·class="footer"/><address·class="footer"><small>687 <hr·class="footer"/><address·class="footer"><small>
688 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4688 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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2 <html·xmlns="http://www.w3.org/1999/xhtml">2 <html·xmlns="http://www.w3.org/1999/xhtml">
3 <head>3 <head>
4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>
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8 <title>BALL:·statistics.h·File·Reference</title>8 <title>BALL:·lipophilic.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
59 ········name="MSearchResults"·id="MSearchResults">59 ········name="MSearchResults"·id="MSearchResults">
60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">statistics.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">lipophilic.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>
74 <div·class="textblock"><code>#include·&lt;vector&gt;</code><br·/> 
75 <code>#include·&lt;iostream&gt;</code><br·/> 
76 <code>#include·&lt;cmath&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../da/d66/a01856_source.html">BALL/MATHS/parsedFunction.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d4/d2e/a02051_source.html">BALL/SCORING/COMPONENTS/fresnoTypes.h</a>&gt;</code><br·/>
78 <code>#include·&lt;set&gt;</code><br·/> 
79 <code>#include·&lt;Eigen/Core&gt;</code><br·/> 
80 </div>77 </div>
81 <p><a·href="../../d5/d8b/a02060_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d5/d8b/a02060_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls">79 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
84 Classes</h2></td></tr>81 Classes</h2></td></tr>
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d4e/a06038.html">BALL::QSAR::Statistics</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d44/a06302.html">BALL::Lipophilic</a></td></tr>
 83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d71/a06306.html">BALL::Lipophilic::Option</a></td></tr>
 85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dbe/a06310.html">BALL::Lipophilic::Default</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table><table·class="memberdecls">88 </table><table·class="memberdecls">
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89 Namespaces</h2></td></tr>90 Namespaces</h2></td></tr>
90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
94 </table>93 </table>
95 </div><!--·contents·-->94 </div><!--·contents·-->
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d0/d42/a05127.html">List·of·all·members</a>··</div>71 <a·href="../../d0/d42/a05127.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::TypenameRuleProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d4/d63/a02173.html">Rule-based·parameter·assignment</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TypenameRuleProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d4/d63/a02173.html">Rule-based·parameter·assignment</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/MOLMEC/COMMON/typenameRuleProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d1/d09/a00077_source.html">BALL/MOLMEC/COMMON/typenameRuleProcessor.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::TypenameRuleProcessor:</div>77 Inheritance·diagram·for·BALL::TypenameRuleProcessor:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d5/d8c/a05130.png"·usemap="#BALL::TypenameRuleProcessor_map"·alt=""/>80 ··<img·src="../../d5/d8c/a05130.png"·usemap="#BALL::TypenameRuleProcessor_map"·alt=""/>
81 ··<map·id="BALL::TypenameRuleProcessor_map"·name="BALL::TypenameRuleProcessor_map">81 ··<map·id="BALL::TypenameRuleProcessor_map"·name="BALL::TypenameRuleProcessor_map">
82 <area·href="../../d1/ddb/a05106.html"·alt="BALL::RuleProcessor"·shape="rect"·coords="0,112,286,136"/>82 <area·href="../../d1/ddb/a05106.html"·alt="BALL::RuleProcessor"·shape="rect"·coords="0,112,286,136"/>
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156 <tr·class="separator:a6b407f3e2cbcec8c2d319bb1a2ca86e0·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>156 <tr·class="separator:a6b407f3e2cbcec8c2d319bb1a2ca86e0·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
157 <tr·class="memitem:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/ddb/a05106.html#a229397c3d49a8b6d9a6b5d3583f5f6b5">valid_</a></td></tr>157 <tr·class="memitem:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/ddb/a05106.html#a229397c3d49a8b6d9a6b5d3583f5f6b5">valid_</a></td></tr>
158 <tr·class="separator:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>158 <tr·class="separator:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
159 </table>159 </table>
160 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>160 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
161 <div·class="textblock"><p·>Typename·Rule·<a·class="el"·href="../../de/d93/a03330.html">Processor</a>.·</p>161 <div·class="textblock"><p·>Typename·Rule·<a·class="el"·href="../../de/d93/a03330.html">Processor</a>.·</p>
  
162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d69/a00878_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d5/d69/a00878_source.html">typenameRuleProcessor.h</a>.</p>162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d09/a00077_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d1/d09/a00077_source.html">typenameRuleProcessor.h</a>.</p>
163 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>163 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
164 <a·id="ad1e03548ec301e8b978b8f8788681740"·name="ad1e03548ec301e8b978b8f8788681740"></a>164 <a·id="ad1e03548ec301e8b978b8f8788681740"·name="ad1e03548ec301e8b978b8f8788681740"></a>
165 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1e03548ec301e8b978b8f8788681740">&#9670;&nbsp;</a></span>TypenameRuleProcessor()·<span·class="overload">[1/3]</span></h2>165 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1e03548ec301e8b978b8f8788681740">&#9670;&nbsp;</a></span>TypenameRuleProcessor()·<span·class="overload">[1/3]</span></h2>
  
166 <div·class="memitem">166 <div·class="memitem">
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../da/d5b/a06435.html">List·of·all·members</a>··</div>71 <a·href="../../da/d5b/a06435.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::SLICKEnergy·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SLICKEnergy·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dc/d5d/a00278_source.html">BALL/SCORING/FUNCTIONS/slickEnergy.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d8/d98/a02009_source.html">BALL/SCORING/FUNCTIONS/slickEnergy.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::SLICKEnergy:</div>77 Inheritance·diagram·for·BALL::SLICKEnergy:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d5/d8c/a06438.png"·usemap="#BALL::SLICKEnergy_map"·alt=""/>80 ··<img·src="../../d5/d8c/a06438.png"·usemap="#BALL::SLICKEnergy_map"·alt=""/>
81 ··<map·id="BALL::SLICKEnergy_map"·name="BALL::SLICKEnergy_map">81 ··<map·id="BALL::SLICKEnergy_map"·name="BALL::SLICKEnergy_map">
82 <area·href="../../d0/d64/a06166.html"·alt="BALL::ScoringFunction"·shape="rect"·coords="0,0,142,24"/>82 <area·href="../../d0/d64/a06166.html"·alt="BALL::ScoringFunction"·shape="rect"·coords="0,0,142,24"/>
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418 <tr·class="separator:a197f72cc13fbc6595eaf67b7544c6f7e·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>418 <tr·class="separator:a197f72cc13fbc6595eaf67b7544c6f7e·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
419 <tr·class="memitem:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a6884ad80f5b4a53ac9075b09e080488c">rotatable_ligand_bonds_</a>·{}</td></tr>419 <tr·class="memitem:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a6884ad80f5b4a53ac9075b09e080488c">rotatable_ligand_bonds_</a>·{}</td></tr>
420 <tr·class="separator:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>420 <tr·class="separator:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
421 <tr·class="memitem:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·list&lt;·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a1b984092e5214e6adbd1cdf8b6b62976">flexres_org_positions_</a>·{}</td></tr>421 <tr·class="memitem:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·list&lt;·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a1b984092e5214e6adbd1cdf8b6b62976">flexres_org_positions_</a>·{}</td></tr>
422 <tr·class="separator:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>422 <tr·class="separator:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
423 </table>423 </table>
424 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>424 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
425 <div·class="textblock"><p·><a·class="el"·href="../../d5/d8c/a06438.html">SLICKEnergy</a>·scoring·function·{\bf·Definition:}·\URL{<a·class="el"·href="../../dc/d5d/a00278.html">BALL/SCORING/FUNCTIONS/slickEnergy.h</a>}·</p>425 <div·class="textblock"><p·><a·class="el"·href="../../d5/d8c/a06438.html">SLICKEnergy</a>·scoring·function·{\bf·Definition:}·\URL{<a·class="el"·href="../../d8/d98/a02009.html">BALL/SCORING/FUNCTIONS/slickEnergy.h</a>}·</p>
  
426 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d5d/a00278_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../dc/d5d/a00278_source.html">slickEnergy.h</a>.</p>426 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d98/a02009_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d8/d98/a02009_source.html">slickEnergy.h</a>.</p>
427 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>427 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
428 <a·id="ab20a0790fc5a1a99f3e0d7e15de852f7"·name="ab20a0790fc5a1a99f3e0d7e15de852f7"></a>428 <a·id="ab20a0790fc5a1a99f3e0d7e15de852f7"·name="ab20a0790fc5a1a99f3e0d7e15de852f7"></a>
429 <h2·class="memtitle"><span·class="permalink"><a·href="#ab20a0790fc5a1a99f3e0d7e15de852f7">&#9670;&nbsp;</a></span>SLICKEnergy()·<span·class="overload">[1/4]</span></h2>429 <h2·class="memtitle"><span·class="permalink"><a·href="#ab20a0790fc5a1a99f3e0d7e15de852f7">&#9670;&nbsp;</a></span>SLICKEnergy()·<span·class="overload">[1/4]</span></h2>
  
430 <div·class="memitem">430 <div·class="memitem">
431 <div·class="memproto">431 <div·class="memproto">
432 ······<table·class="memname">432 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../da/dbb/a04871.html">List·of·all·members</a>··</div>71 <a·href="../../da/dbb/a04871.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ParsedFunction&lt;·arg·&gt;·Class·Template·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../db/dcf/a02157.html">Mathematics</a>·&raquo;·<a·class="el"·href="../../df/dbf/a02161.html">Function·classes</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ParsedFunction&lt;·arg·&gt;·Class·Template·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../db/dcf/a02157.html">Mathematics</a>·&raquo;·<a·class="el"·href="../../df/dbf/a02161.html">Function·classes</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../da/d66/a01856_source.html">BALL/MATHS/parsedFunction.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d03/a00254_source.html">BALL/MATHS/parsedFunction.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::ParsedFunction&lt;·arg·&gt;:</div>77 Inheritance·diagram·for·BALL::ParsedFunction&lt;·arg·&gt;:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d5/d8e/a04874.png"·alt=""/>80 ··<img·src="../../d5/d8e/a04874.png"·alt=""/>
81 ·</div></div>81 ·</div></div>
82 <table·class="memberdecls">82 <table·class="memberdecls">
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114 <tr·class="memitem:ga1cece59ce93d2f5c285433661cc61b64"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dbf/a02161.html#ga1cece59ce93d2f5c285433661cc61b64">initTable</a>·()</td></tr>114 <tr·class="memitem:ga1cece59ce93d2f5c285433661cc61b64"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dbf/a02161.html#ga1cece59ce93d2f5c285433661cc61b64">initTable</a>·()</td></tr>
115 <tr·class="separator:ga1cece59ce93d2f5c285433661cc61b64"><td·class="memSeparator"·colspan="2">&#160;</td></tr>115 <tr·class="separator:ga1cece59ce93d2f5c285433661cc61b64"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
116 </table>116 </table>
117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
118 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·arg&gt;<br·/>118 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·arg&gt;<br·/>
119 class·BALL::ParsedFunction&lt;·arg·&gt;</div><p·><a·class="el"·href="../../d5/d8e/a04874.html">ParsedFunction</a>.·This·function·type·contains·a·double·-·valued·function·string·like·<img·class="formulaInl"·alt="$var1=atan(.5);·sin(cos(atan(asin(exp(X+var1)))))$"·src="../../form_29.png"·width="295"·height="14"/>.·When·the·operator·()·is·called,·<img·class="formulaInl"·alt="$X$"·src="../../form_30.png"·width="13"·height="10"/>·is·replaced·with·the·argument·of·the·operator·call·and·the·function·string·is·parsed·and·evaluated.·</p>119 class·BALL::ParsedFunction&lt;·arg·&gt;</div><p·><a·class="el"·href="../../d5/d8e/a04874.html">ParsedFunction</a>.·This·function·type·contains·a·double·-·valued·function·string·like·<img·class="formulaInl"·alt="$var1=atan(.5);·sin(cos(atan(asin(exp(X+var1)))))$"·src="../../form_29.png"·width="295"·height="14"/>.·When·the·operator·()·is·called,·<img·class="formulaInl"·alt="$X$"·src="../../form_30.png"·width="13"·height="10"/>·is·replaced·with·the·argument·of·the·operator·call·and·the·function·string·is·parsed·and·evaluated.·</p>
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d66/a01856_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../da/d66/a01856_source.html">parsedFunction.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d03/a00254_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d7/d03/a00254_source.html">parsedFunction.h</a>.</p>
121 </div><h2·class="groupheader">Member·Function·Documentation</h2>121 </div><h2·class="groupheader">Member·Function·Documentation</h2>
122 <a·id="afd5990b45bd2b39471dc55e56872c7fb"·name="afd5990b45bd2b39471dc55e56872c7fb"></a>122 <a·id="afd5990b45bd2b39471dc55e56872c7fb"·name="afd5990b45bd2b39471dc55e56872c7fb"></a>
123 <h2·class="memtitle"><span·class="permalink"><a·href="#afd5990b45bd2b39471dc55e56872c7fb">&#9670;&nbsp;</a></span>operator()()·<span·class="overload">[1/2]</span></h2>123 <h2·class="memtitle"><span·class="permalink"><a·href="#afd5990b45bd2b39471dc55e56872c7fb">&#9670;&nbsp;</a></span>operator()()·<span·class="overload">[1/2]</span></h2>
  
124 <div·class="memitem">124 <div·class="memitem">
125 <div·class="memproto">125 <div·class="memproto">
126 ······<table·class="memname">126 ······<table·class="memname">
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168 ········<tr>168 ········<tr>
169 ··········<td·class="memname"><a·class="el"·href="../../de/d7e/a03618.html">StringHashMap</a>&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>*&gt;·<a·class="el"·href="../../d5/d8e/a04874.html">BALL::ParsedFunction</a>&lt;·arg·&gt;::constants_</td>169 ··········<td·class="memname"><a·class="el"·href="../../de/d7e/a03618.html">StringHashMap</a>&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>*&gt;·<a·class="el"·href="../../d5/d8e/a04874.html">BALL::ParsedFunction</a>&lt;·arg·&gt;::constants_</td>
170 ········</tr>170 ········</tr>
171 ······</table>171 ······</table>
172 </div><div·class="memdoc">172 </div><div·class="memdoc">
173 <p·>The·table·of·constants·</p>173 <p·>The·table·of·constants·</p>
  
174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d66/a01856_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../da/d66/a01856_source.html">parsedFunction.h</a>.</p>174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d03/a00254_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d7/d03/a00254_source.html">parsedFunction.h</a>.</p>
  
175 </div>175 </div>
176 </div>176 </div>
177 <a·id="a078ce98842662cc6074d4243db088e01"·name="a078ce98842662cc6074d4243db088e01"></a>177 <a·id="a078ce98842662cc6074d4243db088e01"·name="a078ce98842662cc6074d4243db088e01"></a>
178 <h2·class="memtitle"><span·class="permalink"><a·href="#a078ce98842662cc6074d4243db088e01">&#9670;&nbsp;</a></span>expression_</h2>178 <h2·class="memtitle"><span·class="permalink"><a·href="#a078ce98842662cc6074d4243db088e01">&#9670;&nbsp;</a></span>expression_</h2>
  
179 <div·class="memitem">179 <div·class="memitem">
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194 ··</td>194 ··</td>
195 ··<td·class="mlabels-right">195 ··<td·class="mlabels-right">
196 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>196 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
197 ··</tr>197 ··</tr>
198 </table>198 </table>
199 </div><div·class="memdoc">199 </div><div·class="memdoc">
  
200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d66/a01856_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../da/d66/a01856_source.html">parsedFunction.h</a>.</p>200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d03/a00254_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../d7/d03/a00254_source.html">parsedFunction.h</a>.</p>
  
201 </div>201 </div>
202 </div>202 </div>
203 <a·id="a95a08e2e09ef24c19b053b9d6ecf3f82"·name="a95a08e2e09ef24c19b053b9d6ecf3f82"></a>203 <a·id="a95a08e2e09ef24c19b053b9d6ecf3f82"·name="a95a08e2e09ef24c19b053b9d6ecf3f82"></a>
204 <h2·class="memtitle"><span·class="permalink"><a·href="#a95a08e2e09ef24c19b053b9d6ecf3f82">&#9670;&nbsp;</a></span>functions_</h2>204 <h2·class="memtitle"><span·class="permalink"><a·href="#a95a08e2e09ef24c19b053b9d6ecf3f82">&#9670;&nbsp;</a></span>functions_</h2>
  
205 <div·class="memitem">205 <div·class="memitem">
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213 ········<tr>213 ········<tr>
214 ··········<td·class="memname"><a·class="el"·href="../../de/d7e/a03618.html">StringHashMap</a>&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>·(*)(<a·class="el"·href="../../de/d5d/a09194.html">double</a>)&gt;·<a·class="el"·href="../../d5/d8e/a04874.html">BALL::ParsedFunction</a>&lt;·arg·&gt;::functions_</td>214 ··········<td·class="memname"><a·class="el"·href="../../de/d7e/a03618.html">StringHashMap</a>&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>·(*)(<a·class="el"·href="../../de/d5d/a09194.html">double</a>)&gt;·<a·class="el"·href="../../d5/d8e/a04874.html">BALL::ParsedFunction</a>&lt;·arg·&gt;::functions_</td>
215 ········</tr>215 ········</tr>
216 ······</table>216 ······</table>
217 </div><div·class="memdoc">217 </div><div·class="memdoc">
218 <p·>The·table·of·functions·</p>218 <p·>The·table·of·functions·</p>
  
219 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d66/a01856_source.html#l00082">82</a>·of·file·<a·class="el"·href="../../da/d66/a01856_source.html">parsedFunction.h</a>.</p>219 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d03/a00254_source.html#l00082">82</a>·of·file·<a·class="el"·href="../../d7/d03/a00254_source.html">parsedFunction.h</a>.</p>
  
220 </div>220 </div>
221 </div>221 </div>
222 </div><!--·contents·-->222 </div><!--·contents·-->
223 <!--·start·footer·part·-->223 <!--·start·footer·part·-->
224 <hr·class="footer"/><address·class="footer"><small>224 <hr·class="footer"/><address·class="footer"><small>
225 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4225 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
73 <a·href="../../d8/dcd/a07427.html">List·of·all·members</a>··</div>73 <a·href="../../d8/dcd/a07427.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::SimpleDownloaderHelper::BasicHelper·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::SimpleDownloaderHelper::BasicHelper·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d8/d9c/a01733_source.html">BALL/SYSTEM/simpleDownloader.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/SYSTEM/simpleDownloader.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::SimpleDownloaderHelper::BasicHelper:</div>79 Inheritance·diagram·for·BALL::SimpleDownloaderHelper::BasicHelper:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d5/d8e/a07430.png"·usemap="#BALL::SimpleDownloaderHelper::BasicHelper_map"·alt=""/>82 ··<img·src="../../d5/d8e/a07430.png"·usemap="#BALL::SimpleDownloaderHelper::BasicHelper_map"·alt=""/>
83 ··<map·id="BALL::SimpleDownloaderHelper::BasicHelper_map"·name="BALL::SimpleDownloaderHelper::BasicHelper_map">83 ··<map·id="BALL::SimpleDownloaderHelper::BasicHelper_map"·name="BALL::SimpleDownloaderHelper::BasicHelper_map">
84 <area·href="../../dc/d45/a20003.html"·alt="QObject"·shape="rect"·coords="147,0,432,24"/>84 <area·href="../../dc/d45/a20003.html"·alt="QObject"·shape="rect"·coords="147,0,432,24"/>
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109 <tr·class="memitem:a192dd834db8c47d3415d9c9b35f15a02"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/d85/a07418.html">HelperThread</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d8e/a07430.html#a192dd834db8c47d3415d9c9b35f15a02">caller_</a></td></tr>109 <tr·class="memitem:a192dd834db8c47d3415d9c9b35f15a02"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/d85/a07418.html">HelperThread</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d8e/a07430.html#a192dd834db8c47d3415d9c9b35f15a02">caller_</a></td></tr>
110 <tr·class="separator:a192dd834db8c47d3415d9c9b35f15a02"><td·class="memSeparator"·colspan="2">&#160;</td></tr>110 <tr·class="separator:a192dd834db8c47d3415d9c9b35f15a02"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
111 <tr·class="memitem:aae18a3e8fe91d992b4ce6303bd666005"><td·class="memItemLeft"·align="right"·valign="top">QNetworkReply·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d8e/a07430.html#aae18a3e8fe91d992b4ce6303bd666005">reply_</a></td></tr>111 <tr·class="memitem:aae18a3e8fe91d992b4ce6303bd666005"><td·class="memItemLeft"·align="right"·valign="top">QNetworkReply·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d8e/a07430.html#aae18a3e8fe91d992b4ce6303bd666005">reply_</a></td></tr>
112 <tr·class="separator:aae18a3e8fe91d992b4ce6303bd666005"><td·class="memSeparator"·colspan="2">&#160;</td></tr>112 <tr·class="separator:aae18a3e8fe91d992b4ce6303bd666005"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
113 </table>113 </table>
114 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>114 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
115 <div·class="textblock">115 <div·class="textblock">
116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d9c/a01733_source.html#l00196">196</a>·of·file·<a·class="el"·href="../../d8/d9c/a01733_source.html">simpleDownloader.h</a>.</p>116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5c/a00752_source.html#l00196">196</a>·of·file·<a·class="el"·href="../../dd/d5c/a00752_source.html">simpleDownloader.h</a>.</p>
117 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>117 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
118 <a·id="a8a3bbbb6d7ba1362ff6faa87bb4b8564"·name="a8a3bbbb6d7ba1362ff6faa87bb4b8564"></a>118 <a·id="a8a3bbbb6d7ba1362ff6faa87bb4b8564"·name="a8a3bbbb6d7ba1362ff6faa87bb4b8564"></a>
119 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a3bbbb6d7ba1362ff6faa87bb4b8564">&#9670;&nbsp;</a></span>BasicHelper()</h2>119 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a3bbbb6d7ba1362ff6faa87bb4b8564">&#9670;&nbsp;</a></span>BasicHelper()</h2>
  
120 <div·class="memitem">120 <div·class="memitem">
121 <div·class="memproto">121 <div·class="memproto">
122 ······<table·class="memname">122 ······<table·class="memname">
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162 ··</td>162 ··</td>
163 ··<td·class="mlabels-right">163 ··<td·class="mlabels-right">
164 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>164 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
165 ··</tr>165 ··</tr>
166 </table>166 </table>
167 </div><div·class="memdoc">167 </div><div·class="memdoc">
  
168 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d9c/a01733_source.html#l00202">202</a>·of·file·<a·class="el"·href="../../d8/d9c/a01733_source.html">simpleDownloader.h</a>.</p>168 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5c/a00752_source.html#l00202">202</a>·of·file·<a·class="el"·href="../../dd/d5c/a00752_source.html">simpleDownloader.h</a>.</p>
  
169 </div>169 </div>
170 </div>170 </div>
171 <h2·class="groupheader">Member·Function·Documentation</h2>171 <h2·class="groupheader">Member·Function·Documentation</h2>
172 <a·id="a04155073ec90b1b716ada7d03b787d7d"·name="a04155073ec90b1b716ada7d03b787d7d"></a>172 <a·id="a04155073ec90b1b716ada7d03b787d7d"·name="a04155073ec90b1b716ada7d03b787d7d"></a>
173 <h2·class="memtitle"><span·class="permalink"><a·href="#a04155073ec90b1b716ada7d03b787d7d">&#9670;&nbsp;</a></span>error</h2>173 <h2·class="memtitle"><span·class="permalink"><a·href="#a04155073ec90b1b716ada7d03b787d7d">&#9670;&nbsp;</a></span>error</h2>
  
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265 ··</td>265 ··</td>
266 ··<td·class="mlabels-right">266 ··<td·class="mlabels-right">
267 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>267 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
268 ··</tr>268 ··</tr>
269 </table>269 </table>
270 </div><div·class="memdoc">270 </div><div·class="memdoc">
  
271 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d9c/a01733_source.html#l00212">212</a>·of·file·<a·class="el"·href="../../d8/d9c/a01733_source.html">simpleDownloader.h</a>.</p>271 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5c/a00752_source.html#l00212">212</a>·of·file·<a·class="el"·href="../../dd/d5c/a00752_source.html">simpleDownloader.h</a>.</p>
  
272 </div>272 </div>
273 </div>273 </div>
274 <a·id="aae18a3e8fe91d992b4ce6303bd666005"·name="aae18a3e8fe91d992b4ce6303bd666005"></a>274 <a·id="aae18a3e8fe91d992b4ce6303bd666005"·name="aae18a3e8fe91d992b4ce6303bd666005"></a>
275 <h2·class="memtitle"><span·class="permalink"><a·href="#aae18a3e8fe91d992b4ce6303bd666005">&#9670;&nbsp;</a></span>reply_</h2>275 <h2·class="memtitle"><span·class="permalink"><a·href="#aae18a3e8fe91d992b4ce6303bd666005">&#9670;&nbsp;</a></span>reply_</h2>
  
276 <div·class="memitem">276 <div·class="memitem">
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289 ··</td>289 ··</td>
290 ··<td·class="mlabels-right">290 ··<td·class="mlabels-right">
291 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>291 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
292 ··</tr>292 ··</tr>
293 </table>293 </table>
294 </div><div·class="memdoc">294 </div><div·class="memdoc">
  
295 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d9c/a01733_source.html#l00213">213</a>·of·file·<a·class="el"·href="../../d8/d9c/a01733_source.html">simpleDownloader.h</a>.</p>295 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5c/a00752_source.html#l00213">213</a>·of·file·<a·class="el"·href="../../dd/d5c/a00752_source.html">simpleDownloader.h</a>.</p>
  
296 </div>296 </div>
297 </div>297 </div>
298 </div><!--·contents·-->298 </div><!--·contents·-->
299 <!--·start·footer·part·-->299 <!--·start·footer·part·-->
300 <hr·class="footer"/><address·class="footer"><small>300 <hr·class="footer"/><address·class="footer"><small>
301 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4301 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../df/d51/a05491.html">List·of·all·members</a>··</div>70 <a·href="../../df/d51/a05491.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::SimpleExperiment1D·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d61/a02179.html">Nuclear·Magnetic·Resonance·Spectroscopy</a>·&raquo;·<a·class="el"·href="../../d5/d85/a02181.html">NMR·spectra·and·related·classes</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::SimpleExperiment1D·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d61/a02179.html">Nuclear·Magnetic·Resonance·Spectroscopy</a>·&raquo;·<a·class="el"·href="../../d5/d85/a02181.html">NMR·spectra·and·related·classes</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../dc/d8e/a00473_source.html">BALL/NMR/experiment.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../df/dee/a01646_source.html">BALL/NMR/experiment.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::SimpleExperiment1D:</div>76 Inheritance·diagram·for·BALL::SimpleExperiment1D:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d5/d90/a05494.png"·usemap="#BALL::SimpleExperiment1D_map"·alt=""/>79 ··<img·src="../../d5/d90/a05494.png"·usemap="#BALL::SimpleExperiment1D_map"·alt=""/>
80 ··<map·id="BALL::SimpleExperiment1D_map"·name="BALL::SimpleExperiment1D_map">80 ··<map·id="BALL::SimpleExperiment1D_map"·name="BALL::SimpleExperiment1D_map">
81 <area·href="../../d2/d30/a05490.html"·alt="BALL::Experiment&lt;·PeakListType·&gt;"·shape="rect"·coords="0,168,316,192"/>81 <area·href="../../d2/d30/a05490.html"·alt="BALL::Experiment&lt;·PeakListType·&gt;"·shape="rect"·coords="0,168,316,192"/>
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195 <tr·class="separator:a8cc2dbd8f03470ba9e692e2314e1ed39·inherit·pro_attribs_a05538"><td·class="memSeparator"·colspan="2">&#160;</td></tr>195 <tr·class="separator:a8cc2dbd8f03470ba9e692e2314e1ed39·inherit·pro_attribs_a05538"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
196 <tr·class="memitem:ac11c2bfe6d81e9c47aa2400f58750bd2·inherit·pro_attribs_a05538"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a05538.html#ac11c2bfe6d81e9c47aa2400f58750bd2">valid_</a></td></tr>196 <tr·class="memitem:ac11c2bfe6d81e9c47aa2400f58750bd2·inherit·pro_attribs_a05538"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a05538.html#ac11c2bfe6d81e9c47aa2400f58750bd2">valid_</a></td></tr>
197 <tr·class="separator:ac11c2bfe6d81e9c47aa2400f58750bd2·inherit·pro_attribs_a05538"><td·class="memSeparator"·colspan="2">&#160;</td></tr>197 <tr·class="separator:ac11c2bfe6d81e9c47aa2400f58750bd2·inherit·pro_attribs_a05538"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
198 </table>198 </table>
199 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>199 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
200 <div·class="textblock"><p·>Simple·1D·NMR·experiment·class.·This·experiment·extracts·all·atoms·with·an·assigned·shift·value,·which·match·a·given·kernel·expression.·The·default·expression·is·<b>"true()"</b>,·so·by·default·all·atoms·with·an·assigned·shift·value·are·added·to·the·peak·list.·The·default·peak·intensity·and·width·are·user-defined·(·<a·class="el"·href="../../d2/d30/a05490.html#aee9a269710ac9e85baee46de13685fa5">setDefaultPeak·</a>·).·</p>200 <div·class="textblock"><p·>Simple·1D·NMR·experiment·class.·This·experiment·extracts·all·atoms·with·an·assigned·shift·value,·which·match·a·given·kernel·expression.·The·default·expression·is·<b>"true()"</b>,·so·by·default·all·atoms·with·an·assigned·shift·value·are·added·to·the·peak·list.·The·default·peak·intensity·and·width·are·user-defined·(·<a·class="el"·href="../../d2/d30/a05490.html#aee9a269710ac9e85baee46de13685fa5">setDefaultPeak·</a>·).·</p>
  
201 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d8e/a00473_source.html#l00157">157</a>·of·file·<a·class="el"·href="../../dc/d8e/a00473_source.html">experiment.h</a>.</p>201 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dee/a01646_source.html#l00157">157</a>·of·file·<a·class="el"·href="../../df/dee/a01646_source.html">experiment.h</a>.</p>
202 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>202 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
203 <a·id="aa874d6940cbfb3ca8983c2265821dac3"·name="aa874d6940cbfb3ca8983c2265821dac3"></a>203 <a·id="aa874d6940cbfb3ca8983c2265821dac3"·name="aa874d6940cbfb3ca8983c2265821dac3"></a>
204 <h2·class="memtitle"><span·class="permalink"><a·href="#aa874d6940cbfb3ca8983c2265821dac3">&#9670;&nbsp;</a></span>SimpleExperiment1D()·<span·class="overload">[1/2]</span></h2>204 <h2·class="memtitle"><span·class="permalink"><a·href="#aa874d6940cbfb3ca8983c2265821dac3">&#9670;&nbsp;</a></span>SimpleExperiment1D()·<span·class="overload">[1/2]</span></h2>
  
205 <div·class="memitem">205 <div·class="memitem">
206 <div·class="memproto">206 <div·class="memproto">
207 ······<table·class="memname">207 ······<table·class="memname">
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378 ··</td>378 ··</td>
379 ··<td·class="mlabels-right">379 ··<td·class="mlabels-right">
380 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>380 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
381 ··</tr>381 ··</tr>
382 </table>382 </table>
383 </div><div·class="memdoc">383 </div><div·class="memdoc">
  
384 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d8e/a00473_source.html#l00209">209</a>·of·file·<a·class="el"·href="../../dc/d8e/a00473_source.html">experiment.h</a>.</p>384 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dee/a01646_source.html#l00209">209</a>·of·file·<a·class="el"·href="../../df/dee/a01646_source.html">experiment.h</a>.</p>
  
385 </div>385 </div>
386 </div>386 </div>
387 </div><!--·contents·-->387 </div><!--·contents·-->
388 <!--·start·footer·part·-->388 <!--·start·footer·part·-->
389 <hr·class="footer"/><address·class="footer"><small>389 <hr·class="footer"/><address·class="footer"><small>
390 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4390 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d6/d37/a05783.html">List·of·all·members</a>··</div>70 <a·href="../../d6/d37/a05783.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::NonLinearModel·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::NonLinearModel·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d9/de8/a02006_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d1/d7e/a00434_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::QSAR::NonLinearModel:</div>76 Inheritance·diagram·for·BALL::QSAR::NonLinearModel:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d5/d95/a05786.png"·usemap="#BALL::QSAR::NonLinearModel_map"·alt=""/>79 ··<img·src="../../d5/d95/a05786.png"·usemap="#BALL::QSAR::NonLinearModel_map"·alt=""/>
80 ··<map·id="BALL::QSAR::NonLinearModel_map"·name="BALL::QSAR::NonLinearModel_map">80 ··<map·id="BALL::QSAR::NonLinearModel_map"·name="BALL::QSAR::NonLinearModel_map">
81 <area·href="../../dd/d9e/a05838.html"·alt="BALL::QSAR::RegressionModel"·shape="rect"·coords="247,56,435,80"/>81 <area·href="../../dd/d9e/a05838.html"·alt="BALL::QSAR::RegressionModel"·shape="rect"·coords="247,56,435,80"/>
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231 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>231 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>
232 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>232 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
233 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>233 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
234 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>234 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
235 </table>235 </table>
236 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>236 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
237 <div·class="textblock">237 <div·class="textblock">
238 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/de8/a02006_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d9/de8/a02006_source.html">nonlinearModel.h</a>.</p>238 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d7e/a00434_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d1/d7e/a00434_source.html">nonlinearModel.h</a>.</p>
239 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>239 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
240 <a·id="a3335b888885871990a1aefda7fb4990d"·name="a3335b888885871990a1aefda7fb4990d"></a>240 <a·id="a3335b888885871990a1aefda7fb4990d"·name="a3335b888885871990a1aefda7fb4990d"></a>
241 <h2·class="memtitle"><span·class="permalink"><a·href="#a3335b888885871990a1aefda7fb4990d">&#9670;&nbsp;</a></span>NonLinearModel()</h2>241 <h2·class="memtitle"><span·class="permalink"><a·href="#a3335b888885871990a1aefda7fb4990d">&#9670;&nbsp;</a></span>NonLinearModel()</h2>
  
242 <div·class="memitem">242 <div·class="memitem">
243 <div·class="memproto">243 <div·class="memproto">
244 ······<table·class="memname">244 ······<table·class="memname">
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297 </div><div·class="memdoc">297 </div><div·class="memdoc">
298 <p·>do·nothing·for·non-kernel·models.·<a·class="el"·href="../../db/dd1/a05730.html">KernelModel</a>·on·the·other·hand·overloads·this·function...·</p>298 <p·>do·nothing·for·non-kernel·models.·<a·class="el"·href="../../db/dd1/a05730.html">KernelModel</a>·on·the·other·hand·overloads·this·function...·</p>
  
299 <p>Implements·<a·class="el"·href="../../dd/d9e/a05838.html#aebeaca838558b1c80ccaccb1adf29b86">BALL::QSAR::RegressionModel</a>.</p>299 <p>Implements·<a·class="el"·href="../../dd/d9e/a05838.html#aebeaca838558b1c80ccaccb1adf29b86">BALL::QSAR::RegressionModel</a>.</p>
  
300 <p>Reimplemented·in·<a·class="el"·href="../../db/dd1/a05730.html#a55ac7e6140e57af90a1ecca72bb89621">BALL::QSAR::KernelModel</a>.</p>300 <p>Reimplemented·in·<a·class="el"·href="../../db/dd1/a05730.html#a55ac7e6140e57af90a1ecca72bb89621">BALL::QSAR::KernelModel</a>.</p>
  
301 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/de8/a02006_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d9/de8/a02006_source.html">nonlinearModel.h</a>.</p>301 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d7e/a00434_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d1/d7e/a00434_source.html">nonlinearModel.h</a>.</p>
  
302 </div>302 </div>
303 </div>303 </div>
304 </div><!--·contents·-->304 </div><!--·contents·-->
305 <!--·start·footer·part·-->305 <!--·start·footer·part·-->
306 <hr·class="footer"/><address·class="footer"><small>306 <hr·class="footer"/><address·class="footer"><small>
307 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4307 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../dc/d16/a04283.html">List·of·all·members</a>··</div>71 <a·href="../../dc/d16/a04283.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordORIGX2·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordORIGX2·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:ac942bc81197764c7dc78af0cb2981c32"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d9d/a04286.html#ac942bc81197764c7dc78af0cb2981c32">record_type</a></td></tr>79 <tr·class="memitem:ac942bc81197764c7dc78af0cb2981c32"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d9d/a04286.html#ac942bc81197764c7dc78af0cb2981c32">record_type</a></td></tr>
80 <tr·class="separator:ac942bc81197764c7dc78af0cb2981c32"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:ac942bc81197764c7dc78af0cb2981c32"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a4a9a0dd6f4c7fa4dabde2a388e9d9064"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d9d/a04286.html#a4a9a0dd6f4c7fa4dabde2a388e9d9064">record_name</a></td></tr>81 <tr·class="memitem:a4a9a0dd6f4c7fa4dabde2a388e9d9064"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d9d/a04286.html#a4a9a0dd6f4c7fa4dabde2a388e9d9064">record_name</a></td></tr>
82 <tr·class="separator:a4a9a0dd6f4c7fa4dabde2a388e9d9064"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a4a9a0dd6f4c7fa4dabde2a388e9d9064"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a7b87e45972932c461bbc4fc7f9477fbf"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d9d/a04286.html#a7b87e45972932c461bbc4fc7f9477fbf">transformation_matrix</a>·[4]</td></tr>83 <tr·class="memitem:a7b87e45972932c461bbc4fc7f9477fbf"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d9d/a04286.html#a7b87e45972932c461bbc4fc7f9477fbf">transformation_matrix</a>·[4]</td></tr>
84 <tr·class="separator:a7b87e45972932c461bbc4fc7f9477fbf"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a7b87e45972932c461bbc4fc7f9477fbf"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock">87 <div·class="textblock">
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00897">897</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00897">897</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="a4a9a0dd6f4c7fa4dabde2a388e9d9064"·name="a4a9a0dd6f4c7fa4dabde2a388e9d9064"></a>90 <a·id="a4a9a0dd6f4c7fa4dabde2a388e9d9064"·name="a4a9a0dd6f4c7fa4dabde2a388e9d9064"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#a4a9a0dd6f4c7fa4dabde2a388e9d9064">&#9670;&nbsp;</a></span>record_name</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#a4a9a0dd6f4c7fa4dabde2a388e9d9064">&#9670;&nbsp;</a></span>record_name</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
93 <div·class="memproto">93 <div·class="memproto">
94 ······<table·class="memname">94 ······<table·class="memname">
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8 <title>BALL:·openSavePreferences.h·File·Reference</title>8 <title>BALL:·glRenderWindow.h·File·Reference</title>
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63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">openSavePreferences.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">glRenderWindow.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
75 <code>#include·&lt;BALL/VIEW/UIC/ui_openSavePreferences.h&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d4/d3c/a01418_source.html">BALL/VIEW/RENDERING/renderWindow.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code><br·/>
76 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/>79 <code>#include·&lt;QtOpenGL/qgl.h&gt;</code><br·/>
77 </div>80 </div>
78 <p><a·href="../../d5/da5/a01424_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../d5/da5/a01424_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">82 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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66 </div>66 </div>
67 </div><!--·top·-->67 </div><!--·top·-->
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69 ··<div·class="summary">69 ··<div·class="summary">
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71 <a·href="#namespaces">Namespaces</a>··</div>71 <a·href="#namespaces">Namespaces</a>··</div>
72 ··<div·class="headertitle"><div·class="title">assignBondOrderConfigurationDialog.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">assignBondOrderResultsDialog.h·File·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d1/dae/a01136_source.html">BALL/VIEW/WIDGETS/SDWidget.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/STRUCTURE/assignBondOrderProcessor.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../de/df6/a01670_source.html">BALL/STRUCTURE/assignBondOrderProcessor.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;BALL/VIEW/UIC/ui_assignBondOrderConfigurationDialog.h&gt;</code><br·/>78 <code>#include·&lt;BALL/VIEW/UIC/ui_assignBondOrderResultsDialog.h&gt;</code><br·/>
 79 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>
 80 <code>#include·&lt;map&gt;</code><br·/>
79 </div>81 </div>
80 <p><a·href="../../d5/da7/a01283_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../d5/da7/a01283_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls">83 <table·class="memberdecls">
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
86 </table><table·class="memberdecls">88 </table><table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
88 Namespaces</h2></td></tr>90 Namespaces</h2></td></tr>
89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>93 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d8/de2/a03299.html">List·of·all·members</a>··</div>70 <a·href="../../d8/de2/a03299.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::Object·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::Object·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d9/d79/a01658_source.html">BALL/CONCEPT/object.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../dd/d7e/a00809_source.html">BALL/CONCEPT/object.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::Object:</div>76 Inheritance·diagram·for·BALL::Object:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d5/da8/a03302.png"·usemap="#BALL::Object_map"·alt=""/>79 ··<img·src="../../d5/da8/a03302.png"·usemap="#BALL::Object_map"·alt=""/>
80 ··<map·id="BALL::Object_map"·name="BALL::Object_map">80 ··<map·id="BALL::Object_map"·name="BALL::Object_map">
81 <area·href="../../d9/d4f/a03206.html"·alt="BALL::AutoDeletable"·shape="rect"·coords="115,0,336,24"/>81 <area·href="../../d9/d4f/a03206.html"·alt="BALL::AutoDeletable"·shape="rect"·coords="115,0,336,24"/>
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167 <tr·class="memitem:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html#a345d52e6c41aed91ec149e74a63e22bc">AutoDeletable</a>·(const·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·&amp;auto_deletable,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·deep=false)</td></tr>167 <tr·class="memitem:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html#a345d52e6c41aed91ec149e74a63e22bc">AutoDeletable</a>·(const·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·&amp;auto_deletable,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·deep=false)</td></tr>
168 <tr·class="separator:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>168 <tr·class="separator:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
169 </table>169 </table>
170 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>170 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
171 <div·class="textblock"><p·>Generic·object·class.·This·class·provides·unique·handles·for·every·object·that·is·an·instance·of·a·derived·class·of·object.·Together·with·the·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·object·manager·this·class·also·provides·a·double·linked·list·of·all·objects.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>171 <div·class="textblock"><p·>Generic·object·class.·This·class·provides·unique·handles·for·every·object·that·is·an·instance·of·a·derived·class·of·object.·Together·with·the·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·object·manager·this·class·also·provides·a·double·linked·list·of·all·objects.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
172 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d79/a01658_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d9/d79/a01658_source.html">object.h</a>.</p>172 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d7e/a00809_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../dd/d7e/a00809_source.html">object.h</a>.</p>
173 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>173 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
174 <a·id="a040937dec5c156c1fd1d378fc000a559"·name="a040937dec5c156c1fd1d378fc000a559"></a>174 <a·id="a040937dec5c156c1fd1d378fc000a559"·name="a040937dec5c156c1fd1d378fc000a559"></a>
175 <h2·class="memtitle"><span·class="permalink"><a·href="#a040937dec5c156c1fd1d378fc000a559">&#9670;&nbsp;</a></span>Object()·<span·class="overload">[1/2]</span></h2>175 <h2·class="memtitle"><span·class="permalink"><a·href="#a040937dec5c156c1fd1d378fc000a559">&#9670;&nbsp;</a></span>Object()·<span·class="overload">[1/2]</span></h2>
  
176 <div·class="memitem">176 <div·class="memitem">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d0/d37/a08231.html">List·of·all·members</a>··</div>71 <a·href="../../d0/d37/a08231.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLDisplayList::DisplayListRedeclaration·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLDisplayList::DisplayListRedeclaration·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dd/de4/a01121_source.html">BALL/VIEW/RENDERING/glDisplayList.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d8/d7b/a01478_source.html">BALL/VIEW/RENDERING/glDisplayList.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::GLDisplayList::DisplayListRedeclaration:</div>77 Inheritance·diagram·for·BALL::VIEW::GLDisplayList::DisplayListRedeclaration:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d5/da9/a08234.png"·usemap="#BALL::VIEW::GLDisplayList::DisplayListRedeclaration_map"·alt=""/>80 ··<img·src="../../d5/da9/a08234.png"·usemap="#BALL::VIEW::GLDisplayList::DisplayListRedeclaration_map"·alt=""/>
81 ··<map·id="BALL::VIEW::GLDisplayList::DisplayListRedeclaration_map"·name="BALL::VIEW::GLDisplayList::DisplayListRedeclaration_map">81 ··<map·id="BALL::VIEW::GLDisplayList::DisplayListRedeclaration_map"·name="BALL::VIEW::GLDisplayList::DisplayListRedeclaration_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,308,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,308,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·><a·class="el"·href="../../d5/da9/a08234.html">DisplayListRedeclaration</a>·exception·class.·This·exception·will·be·thrown·when·a·display·list·that·is·already·defined·is·tried·to·be·redefined·without·being·destroyed·before.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html#a398de7f7a5d657c9a635f52d13a38c6d"·title="Default·constructor.">GeneralException</a>·<br··/>136 <div·class="textblock"><p·><a·class="el"·href="../../d5/da9/a08234.html">DisplayListRedeclaration</a>·exception·class.·This·exception·will·be·thrown·when·a·display·list·that·is·already·defined·is·tried·to·be·redefined·without·being·destroyed·before.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html#a398de7f7a5d657c9a635f52d13a38c6d"·title="Default·constructor.">GeneralException</a>·<br··/>
137 ·</dd></dl>137 ·</dd></dl>
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de4/a01121_source.html#l00092">92</a>·of·file·<a·class="el"·href="../../dd/de4/a01121_source.html">glDisplayList.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d7b/a01478_source.html#l00092">92</a>·of·file·<a·class="el"·href="../../d8/d7b/a01478_source.html">glDisplayList.h</a>.</p>
139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
140 <a·id="a36891c1e91d75294d187530f35693402"·name="a36891c1e91d75294d187530f35693402"></a>140 <a·id="a36891c1e91d75294d187530f35693402"·name="a36891c1e91d75294d187530f35693402"></a>
141 <h2·class="memtitle"><span·class="permalink"><a·href="#a36891c1e91d75294d187530f35693402">&#9670;&nbsp;</a></span>DisplayListRedeclaration()</h2>141 <h2·class="memtitle"><span·class="permalink"><a·href="#a36891c1e91d75294d187530f35693402">&#9670;&nbsp;</a></span>DisplayListRedeclaration()</h2>
  
142 <div·class="memitem">142 <div·class="memitem">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-types">Public·Types</a>·&#124;70 <a·href="#pub-types">Public·Types</a>·&#124;
71 <a·href="../../d2/d04/a04815.html">List·of·all·members</a>··</div>71 <a·href="../../d2/d04/a04815.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::LongDoubleTraits·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::LongDoubleTraits·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d12/a01799_source.html">BALL/MATHS/fftwCommon.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d5e/a00275_source.html">BALL/MATHS/fftwCommon.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
78 Public·Types</h2></td></tr>78 Public·Types</h2></td></tr>
79 <tr·class="memitem:ad4108f5ed2ef68ec84b00a79a6bb14a6"><td·class="memItemLeft"·align="right"·valign="top">typedef·long·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dac/a04818.html#ad4108f5ed2ef68ec84b00a79a6bb14a6">ComplexPrecision</a></td></tr>79 <tr·class="memitem:ad4108f5ed2ef68ec84b00a79a6bb14a6"><td·class="memItemLeft"·align="right"·valign="top">typedef·long·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dac/a04818.html#ad4108f5ed2ef68ec84b00a79a6bb14a6">ComplexPrecision</a></td></tr>
80 <tr·class="separator:ad4108f5ed2ef68ec84b00a79a6bb14a6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:ad4108f5ed2ef68ec84b00a79a6bb14a6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:aa43b5bd66f0ee5971fced0eadd598502"><td·class="memItemLeft"·align="right"·valign="top">typedef·fftwl_plan&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dac/a04818.html#aa43b5bd66f0ee5971fced0eadd598502">FftwPlan</a></td></tr>81 <tr·class="memitem:aa43b5bd66f0ee5971fced0eadd598502"><td·class="memItemLeft"·align="right"·valign="top">typedef·fftwl_plan&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dac/a04818.html#aa43b5bd66f0ee5971fced0eadd598502">FftwPlan</a></td></tr>
82 <tr·class="separator:aa43b5bd66f0ee5971fced0eadd598502"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:aa43b5bd66f0ee5971fced0eadd598502"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock">85 <div·class="textblock">
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a01799_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d5/d12/a01799_source.html">fftwCommon.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d5e/a00275_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d3/d5e/a00275_source.html">fftwCommon.h</a>.</p>
87 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>87 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
88 <a·id="ad4108f5ed2ef68ec84b00a79a6bb14a6"·name="ad4108f5ed2ef68ec84b00a79a6bb14a6"></a>88 <a·id="ad4108f5ed2ef68ec84b00a79a6bb14a6"·name="ad4108f5ed2ef68ec84b00a79a6bb14a6"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#ad4108f5ed2ef68ec84b00a79a6bb14a6">&#9670;&nbsp;</a></span>ComplexPrecision</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#ad4108f5ed2ef68ec84b00a79a6bb14a6">&#9670;&nbsp;</a></span>ComplexPrecision</h2>
  
90 <div·class="memitem">90 <div·class="memitem">
91 <div·class="memproto">91 <div·class="memproto">
92 ······<table·class="memname">92 ······<table·class="memname">
93 ········<tr>93 ········<tr>
94 ··········<td·class="memname">typedef·long·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·<a·class="el"·href="../../d5/dac/a04818.html#ad4108f5ed2ef68ec84b00a79a6bb14a6">BALL::LongDoubleTraits::ComplexPrecision</a></td>94 ··········<td·class="memname">typedef·long·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·<a·class="el"·href="../../d5/dac/a04818.html#ad4108f5ed2ef68ec84b00a79a6bb14a6">BALL::LongDoubleTraits::ComplexPrecision</a></td>
95 ········</tr>95 ········</tr>
96 ······</table>96 ······</table>
97 </div><div·class="memdoc">97 </div><div·class="memdoc">
  
98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a01799_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d5/d12/a01799_source.html">fftwCommon.h</a>.</p>98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d5e/a00275_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d3/d5e/a00275_source.html">fftwCommon.h</a>.</p>
  
99 </div>99 </div>
100 </div>100 </div>
101 <a·id="aa43b5bd66f0ee5971fced0eadd598502"·name="aa43b5bd66f0ee5971fced0eadd598502"></a>101 <a·id="aa43b5bd66f0ee5971fced0eadd598502"·name="aa43b5bd66f0ee5971fced0eadd598502"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#aa43b5bd66f0ee5971fced0eadd598502">&#9670;&nbsp;</a></span>FftwPlan</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#aa43b5bd66f0ee5971fced0eadd598502">&#9670;&nbsp;</a></span>FftwPlan</h2>
  
103 <div·class="memitem">103 <div·class="memitem">
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111 ········<tr>111 ········<tr>
112 ··········<td·class="memname">typedef·fftwl_plan·<a·class="el"·href="../../d5/dac/a04818.html#aa43b5bd66f0ee5971fced0eadd598502">BALL::LongDoubleTraits::FftwPlan</a></td>112 ··········<td·class="memname">typedef·fftwl_plan·<a·class="el"·href="../../d5/dac/a04818.html#aa43b5bd66f0ee5971fced0eadd598502">BALL::LongDoubleTraits::FftwPlan</a></td>
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8 <title>BALL:·geometricTransformations.h·File·Reference</title>8 <title>BALL:·path.h·File·Reference</title>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9b1ba56f93d5f2332ce0debc4bc04e32.html">SYSTEM</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">geometricTransformations.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">path.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;BALL/CONFIG/config.h&gt;</code><br·/>
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/> 
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74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/dce/a00143_source.html">BALL/PYTHON/pyKernel.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
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73 <div·class="contents">73 <div·class="contents">
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78 <p><a·href="../../d5/db3/a01751_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d5/db3/a01751_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">78 <table·class="memberdecls">
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72 ··<div·class="headertitle"><div·class="title">BALL::RSComputer::ProbePosition·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::RSComputer::ProbePosition·Struct·Reference</div></div>
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80 <tr·class="separator:a95ec7f64a9d6b9fc3ce3fa45620ecd35"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a95ec7f64a9d6b9fc3ce3fa45620ecd35"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:acd1ab0b3c437cfeb3c48a1be94ea784b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/db4/a07070.html#acd1ab0b3c437cfeb3c48a1be94ea784b">point</a>·[2]</td></tr>81 <tr·class="memitem:acd1ab0b3c437cfeb3c48a1be94ea784b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/db4/a07070.html#acd1ab0b3c437cfeb3c48a1be94ea784b">point</a>·[2]</td></tr>
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85 <div·class="textblock">85 <div·class="textblock">
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0a/a00602_source.html#l00510">510</a>·of·file·<a·class="el"·href="../../d5/d0a/a00602_source.html">reducedSurface.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00510">510</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">reducedSurface.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="acd1ab0b3c437cfeb3c48a1be94ea784b"·name="acd1ab0b3c437cfeb3c48a1be94ea784b"></a>88 <a·id="acd1ab0b3c437cfeb3c48a1be94ea784b"·name="acd1ab0b3c437cfeb3c48a1be94ea784b"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#acd1ab0b3c437cfeb3c48a1be94ea784b">&#9670;&nbsp;</a></span>point</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#acd1ab0b3c437cfeb3c48a1be94ea784b">&#9670;&nbsp;</a></span>point</h2>
  
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93 ········<tr>93 ········<tr>
94 ··········<td·class="memname"><a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::RSComputer::ProbePosition::point[2]</td>94 ··········<td·class="memname"><a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::RSComputer::ProbePosition::point[2]</td>
95 ········</tr>95 ········</tr>
96 ······</table>96 ······</table>
97 </div><div·class="memdoc">97 </div><div·class="memdoc">
  
98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0a/a00602_source.html#l00513">513</a>·of·file·<a·class="el"·href="../../d5/d0a/a00602_source.html">reducedSurface.h</a>.</p>98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00513">513</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">reducedSurface.h</a>.</p>
  
99 </div>99 </div>
100 </div>100 </div>
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102 <h2·class="memtitle"><span·class="permalink"><a·href="#a95ec7f64a9d6b9fc3ce3fa45620ecd35">&#9670;&nbsp;</a></span>status</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#a95ec7f64a9d6b9fc3ce3fa45620ecd35">&#9670;&nbsp;</a></span>status</h2>
  
103 <div·class="memitem">103 <div·class="memitem">
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111 ········<tr>111 ········<tr>
112 ··········<td·class="memname"><a·class="el"·href="../../dd/d41/a07066.html#a970864ac8f8806ad95ad8e169adb1629">ProbeStatus</a>·BALL::RSComputer::ProbePosition::status[2]</td>112 ··········<td·class="memname"><a·class="el"·href="../../dd/d41/a07066.html#a970864ac8f8806ad95ad8e169adb1629">ProbeStatus</a>·BALL::RSComputer::ProbePosition::status[2]</td>
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114 ······</table>114 ······</table>
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116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0a/a00602_source.html#l00512">512</a>·of·file·<a·class="el"·href="../../d5/d0a/a00602_source.html">reducedSurface.h</a>.</p>116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00512">512</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">reducedSurface.h</a>.</p>
  
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8 <title>BALL:·molecule.h·File·Reference</title>8 <title>BALL:·oplsModel.h·File·Reference</title>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">molecule.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">oplsModel.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d00/a00401_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d29/a00470_source.html">BALL/QSAR/plsModel.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d8/ddd/a00380_source.html">BALL/KERNEL/fragment.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../db/ddc/a00353_source.html">BALL/KERNEL/fragmentIterator.h</a>&gt;</code><br·/> 
77 </div>75 </div>
78 <p><a·href="../../d5/db5/a00374_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d5/db5/a00374_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">77 <table·class="memberdecls">
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87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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70 <a·href="../../d1/d9a/a05795.html">List·of·all·members</a>··</div>70 <a·href="../../d1/d9a/a05795.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::TotalPositivePartialCharge·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::TotalPositivePartialCharge·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d2/d3d/a01982_source.html">BALL/QSAR/partialChargeDescriptors.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../de/dd7/a00362_source.html">BALL/QSAR/partialChargeDescriptors.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::TotalPositivePartialCharge:</div>76 Inheritance·diagram·for·BALL::TotalPositivePartialCharge:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d5/db7/a05798.png"·usemap="#BALL::TotalPositivePartialCharge_map"·alt=""/>79 ··<img·src="../../d5/db7/a05798.png"·usemap="#BALL::TotalPositivePartialCharge_map"·alt=""/>
80 ··<map·id="BALL::TotalPositivePartialCharge_map"·name="BALL::TotalPositivePartialCharge_map">80 ··<map·id="BALL::TotalPositivePartialCharge_map"·name="BALL::TotalPositivePartialCharge_map">
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180 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>180 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
181 <div·class="textblock"><p·>This·descriptor·adds·up·all·positive·partial·charges·over·all·atoms.·</p>181 <div·class="textblock"><p·>This·descriptor·adds·up·all·positive·partial·charges·over·all·atoms.·</p>
  
182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d3d/a01982_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d2/d3d/a01982_source.html">partialChargeDescriptors.h</a>.</p>182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dd7/a00362_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../de/dd7/a00362_source.html">partialChargeDescriptors.h</a>.</p>
183 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>183 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
184 <a·id="ae471ac390a92294047498fa084abb387"·name="ae471ac390a92294047498fa084abb387"></a>184 <a·id="ae471ac390a92294047498fa084abb387"·name="ae471ac390a92294047498fa084abb387"></a>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">list.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">pierottiCavFreeEnergyProcessor.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d3/d2d/a01625_source.html">BALL/CONCEPT/visitor.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/ENERGY/energyProcessor.h</a>&gt;</code><br·/>
77 <code>#include·&lt;list&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
78 </div>77 </div>
79 <p><a·href="../../d5/dba/a01940_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d5/dba/a01940_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">79 <table·class="memberdecls">
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83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d76/a03554.html">BALL::List&lt;·Value·&gt;</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d9f/a06554.html">BALL::PierottiCavFreeEnergyProcessor</a></td></tr>
 83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d30/a06558.html">BALL::PierottiCavFreeEnergyProcessor::Option</a></td></tr>
 85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/de2/a06562.html">BALL::PierottiCavFreeEnergyProcessor::Default</a></td></tr>
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87 Namespaces</h2></td></tr>90 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d1/d9f/a05035.html">List·of·all·members</a>··</div>70 <a·href="../../d1/d9f/a05035.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::CharmmStretch·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d1e/a02171.html">CHARMM·Force·Field.</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::CharmmStretch·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d1e/a02171.html">CHARMM·Force·Field.</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d7/dcf/a00845_source.html">BALL/MOLMEC/CHARMM/charmmStretch.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d8/d41/a00038_source.html">BALL/MOLMEC/CHARMM/charmmStretch.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::CharmmStretch:</div>76 Inheritance·diagram·for·BALL::CharmmStretch:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d5/dbd/a05038.png"·usemap="#BALL::CharmmStretch_map"·alt=""/>79 ··<img·src="../../d5/dbd/a05038.png"·usemap="#BALL::CharmmStretch_map"·alt=""/>
80 ··<map·id="BALL::CharmmStretch_map"·name="BALL::CharmmStretch_map">80 ··<map·id="BALL::CharmmStretch_map"·name="BALL::CharmmStretch_map">
81 <area·href="../../dc/de6/a05126.html"·alt="BALL::StretchComponent"·shape="rect"·coords="0,112,174,136"/>81 <area·href="../../dc/de6/a05126.html"·alt="BALL::StretchComponent"·shape="rect"·coords="0,112,174,136"/>
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231 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>231 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
232 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>232 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
233 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>233 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
234 </table>234 </table>
235 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>235 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
236 <div·class="textblock"><p·>Charmm·bond·stretch·component·</p>236 <div·class="textblock"><p·>Charmm·bond·stretch·component·</p>
  
237 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dcf/a00845_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d7/dcf/a00845_source.html">charmmStretch.h</a>.</p>237 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d41/a00038_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d8/d41/a00038_source.html">charmmStretch.h</a>.</p>
238 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>238 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
239 <a·id="a700112b3748af0abdc15f779dbafe698"·name="a700112b3748af0abdc15f779dbafe698"></a>239 <a·id="a700112b3748af0abdc15f779dbafe698"·name="a700112b3748af0abdc15f779dbafe698"></a>
240 <h2·class="memtitle"><span·class="permalink"><a·href="#a700112b3748af0abdc15f779dbafe698">&#9670;&nbsp;</a></span>CharmmStretch()·<span·class="overload">[1/2]</span></h2>240 <h2·class="memtitle"><span·class="permalink"><a·href="#a700112b3748af0abdc15f779dbafe698">&#9670;&nbsp;</a></span>CharmmStretch()·<span·class="overload">[1/2]</span></h2>
  
241 <div·class="memitem">241 <div·class="memitem">
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73 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;73 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
74 <a·href="../../da/da3/a07619.html">List·of·all·members</a>··</div>74 <a·href="../../da/da3/a07619.html">List·of·all·members</a>··</div>
75 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GridVisualizationDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>75 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GridVisualizationDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
76 </div><!--header-->76 </div><!--header-->
77 <div·class="contents">77 <div·class="contents">
  
78 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01301_source.html">BALL/VIEW/DIALOGS/gridVisualizationDialog.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../de/db5/a01181_source.html">BALL/VIEW/DIALOGS/gridVisualizationDialog.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
80 Inheritance·diagram·for·BALL::VIEW::GridVisualizationDialog:</div>80 Inheritance·diagram·for·BALL::VIEW::GridVisualizationDialog:</div>
81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../d5/dbe/a07622.png"·usemap="#BALL::VIEW::GridVisualizationDialog_map"·alt=""/>83 ··<img·src="../../d5/dbe/a07622.png"·usemap="#BALL::VIEW::GridVisualizationDialog_map"·alt=""/>
84 ··<map·id="BALL::VIEW::GridVisualizationDialog_map"·name="BALL::VIEW::GridVisualizationDialog_map">84 ··<map·id="BALL::VIEW::GridVisualizationDialog_map"·name="BALL::VIEW::GridVisualizationDialog_map">
85 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,217,24"/>85 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,217,24"/>
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132 <tr·class="separator:a8cf12595f807d138b0aa21da926b29f9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>132 <tr·class="separator:a8cf12595f807d138b0aa21da926b29f9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
133 <tr·class="memitem:ada7e6b962da0c71a2b29ae4a12656716"><td·class="memItemLeft"·align="right"·valign="top">std::list&lt;·<a·class="el"·href="../../da/da2/a02217.html#a4d66d487ac43a499e5f5ec49ee376671">RegularData3D</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dbe/a07622.html#ada7e6b962da0c71a2b29ae4a12656716">grid_list_</a></td></tr>133 <tr·class="memitem:ada7e6b962da0c71a2b29ae4a12656716"><td·class="memItemLeft"·align="right"·valign="top">std::list&lt;·<a·class="el"·href="../../da/da2/a02217.html#a4d66d487ac43a499e5f5ec49ee376671">RegularData3D</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dbe/a07622.html#ada7e6b962da0c71a2b29ae4a12656716">grid_list_</a></td></tr>
134 <tr·class="separator:ada7e6b962da0c71a2b29ae4a12656716"><td·class="memSeparator"·colspan="2">&#160;</td></tr>134 <tr·class="separator:ada7e6b962da0c71a2b29ae4a12656716"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
135 </table>135 </table>
136 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>136 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
137 <div·class="textblock"><p·>Dialog·for·visualizing·grids.·</p>137 <div·class="textblock"><p·>Dialog·for·visualizing·grids.·</p>
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01301_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d3/d07/a01301_source.html">gridVisualizationDialog.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01181_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../de/db5/a01181_source.html">gridVisualizationDialog.h</a>.</p>
139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
140 <a·id="a60c88ecdf5f86e506ecdfb3f202a8853"·name="a60c88ecdf5f86e506ecdfb3f202a8853"></a>140 <a·id="a60c88ecdf5f86e506ecdfb3f202a8853"·name="a60c88ecdf5f86e506ecdfb3f202a8853"></a>
141 <h2·class="memtitle"><span·class="permalink"><a·href="#a60c88ecdf5f86e506ecdfb3f202a8853">&#9670;&nbsp;</a></span>GridVisualizationDialog()·<span·class="overload">[1/2]</span></h2>141 <h2·class="memtitle"><span·class="permalink"><a·href="#a60c88ecdf5f86e506ecdfb3f202a8853">&#9670;&nbsp;</a></span>GridVisualizationDialog()·<span·class="overload">[1/2]</span></h2>
  
142 <div·class="memitem">142 <div·class="memitem">
143 <div·class="memproto">143 <div·class="memproto">
144 ······<table·class="memname">144 ······<table·class="memname">
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490 ··</td>490 ··</td>
491 ··<td·class="mlabels-right">491 ··<td·class="mlabels-right">
492 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>492 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
493 ··</tr>493 ··</tr>
494 </table>494 </table>
495 </div><div·class="memdoc">495 </div><div·class="memdoc">
  
496 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01301_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d3/d07/a01301_source.html">gridVisualizationDialog.h</a>.</p>496 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01181_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../de/db5/a01181_source.html">gridVisualizationDialog.h</a>.</p>
  
497 </div>497 </div>
498 </div>498 </div>
499 <a·id="a4c91de3cb09793dd7534637929fd2e60"·name="a4c91de3cb09793dd7534637929fd2e60"></a>499 <a·id="a4c91de3cb09793dd7534637929fd2e60"·name="a4c91de3cb09793dd7534637929fd2e60"></a>
500 <h2·class="memtitle"><span·class="permalink"><a·href="#a4c91de3cb09793dd7534637929fd2e60">&#9670;&nbsp;</a></span>grid_</h2>500 <h2·class="memtitle"><span·class="permalink"><a·href="#a4c91de3cb09793dd7534637929fd2e60">&#9670;&nbsp;</a></span>grid_</h2>
  
501 <div·class="memitem">501 <div·class="memitem">
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514 ··</td>514 ··</td>
515 ··<td·class="mlabels-right">515 ··<td·class="mlabels-right">
516 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>516 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
517 ··</tr>517 ··</tr>
518 </table>518 </table>
519 </div><div·class="memdoc">519 </div><div·class="memdoc">
  
520 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01301_source.html#l00077">77</a>·of·file·<a·class="el"·href="../../d3/d07/a01301_source.html">gridVisualizationDialog.h</a>.</p>520 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01181_source.html#l00077">77</a>·of·file·<a·class="el"·href="../../de/db5/a01181_source.html">gridVisualizationDialog.h</a>.</p>
  
521 </div>521 </div>
522 </div>522 </div>
523 <a·id="ada7e6b962da0c71a2b29ae4a12656716"·name="ada7e6b962da0c71a2b29ae4a12656716"></a>523 <a·id="ada7e6b962da0c71a2b29ae4a12656716"·name="ada7e6b962da0c71a2b29ae4a12656716"></a>
524 <h2·class="memtitle"><span·class="permalink"><a·href="#ada7e6b962da0c71a2b29ae4a12656716">&#9670;&nbsp;</a></span>grid_list_</h2>524 <h2·class="memtitle"><span·class="permalink"><a·href="#ada7e6b962da0c71a2b29ae4a12656716">&#9670;&nbsp;</a></span>grid_list_</h2>
  
525 <div·class="memitem">525 <div·class="memitem">
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538 ··</td>538 ··</td>
539 ··<td·class="mlabels-right">539 ··<td·class="mlabels-right">
540 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>540 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
541 ··</tr>541 ··</tr>
542 </table>542 </table>
543 </div><div·class="memdoc">543 </div><div·class="memdoc">
  
544 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01301_source.html#l00080">80</a>·of·file·<a·class="el"·href="../../d3/d07/a01301_source.html">gridVisualizationDialog.h</a>.</p>544 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01181_source.html#l00080">80</a>·of·file·<a·class="el"·href="../../de/db5/a01181_source.html">gridVisualizationDialog.h</a>.</p>
  
545 </div>545 </div>
546 </div>546 </div>
547 </div><!--·contents·-->547 </div><!--·contents·-->
548 <!--·start·footer·part·-->548 <!--·start·footer·part·-->
549 <hr·class="footer"/><address·class="footer"><small>549 <hr·class="footer"/><address·class="footer"><small>
550 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4550 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d7/d2e/a03127.html">List·of·all·members</a>··</div>71 <a·href="../../d7/d2e/a03127.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Exception::IllegalPosition·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::IllegalPosition·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Exception::IllegalPosition:</div>77 Inheritance·diagram·for·BALL::Exception::IllegalPosition:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d5/dbf/a03130.png"·usemap="#BALL::Exception::IllegalPosition_map"·alt=""/>80 ··<img·src="../../d5/dbf/a03130.png"·usemap="#BALL::Exception::IllegalPosition_map"·alt=""/>
81 ··<map·id="BALL::Exception::IllegalPosition_map"·name="BALL::Exception::IllegalPosition_map">81 ··<map·id="BALL::Exception::IllegalPosition_map"·name="BALL::Exception::IllegalPosition_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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131 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>131 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>Invalid·Position.·A·given·position·in·three·dimensional·is·invalid.·</p>136 <div·class="textblock"><p·>Invalid·Position.·A·given·position·in·three·dimensional·is·invalid.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00376">376</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00376">376</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="aa2be57520037999025bcb304cd98e6b0"·name="aa2be57520037999025bcb304cd98e6b0"></a>139 <a·id="aa2be57520037999025bcb304cd98e6b0"·name="aa2be57520037999025bcb304cd98e6b0"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#aa2be57520037999025bcb304cd98e6b0">&#9670;&nbsp;</a></span>IllegalPosition()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#aa2be57520037999025bcb304cd98e6b0">&#9670;&nbsp;</a></span>IllegalPosition()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
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143 ······<table·class="memname">143 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../d7/d3c/a05003.html">List·of·all·members</a>··</div>71 <a·href="../../d7/d3c/a05003.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::GAFFTypeProcessor::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::GAFFTypeProcessor::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d8/d38/a00926_source.html">BALL/MOLMEC/AMBER/GAFFTypeProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/d45/a00011_source.html">BALL/MOLMEC/AMBER/GAFFTypeProcessor.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:aef8d1ca422d01a94c08de7375db24418"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dc0/a05006.html#aef8d1ca422d01a94c08de7375db24418">ATOMTYPE_FILENAME</a></td></tr>79 <tr·class="memitem:aef8d1ca422d01a94c08de7375db24418"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dc0/a05006.html#aef8d1ca422d01a94c08de7375db24418">ATOMTYPE_FILENAME</a></td></tr>
80 <tr·class="memdesc:aef8d1ca422d01a94c08de7375db24418"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">path·to·the·file·containing·the·atom·type·definitions··<a·href="../../d5/dc0/a05006.html#aef8d1ca422d01a94c08de7375db24418">More...</a><br·/></td></tr>80 <tr·class="memdesc:aef8d1ca422d01a94c08de7375db24418"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">path·to·the·file·containing·the·atom·type·definitions··<a·href="../../d5/dc0/a05006.html#aef8d1ca422d01a94c08de7375db24418">More...</a><br·/></td></tr>
81 <tr·class="separator:aef8d1ca422d01a94c08de7375db24418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:aef8d1ca422d01a94c08de7375db24418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:afe6595b2c8c0793b1c68a3e70c7539a5"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dc0/a05006.html#afe6595b2c8c0793b1c68a3e70c7539a5">GAFF_ATOMTYPE_POSTPROCESSING</a></td></tr>82 <tr·class="memitem:afe6595b2c8c0793b1c68a3e70c7539a5"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dc0/a05006.html#afe6595b2c8c0793b1c68a3e70c7539a5">GAFF_ATOMTYPE_POSTPROCESSING</a></td></tr>
83 <tr·class="memdesc:afe6595b2c8c0793b1c68a3e70c7539a5"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">switch·cleanup·of·GAFF·types·(cc=&gt;cd,·...)·on·or·off··<a·href="../../d5/dc0/a05006.html#afe6595b2c8c0793b1c68a3e70c7539a5">More...</a><br·/></td></tr>83 <tr·class="memdesc:afe6595b2c8c0793b1c68a3e70c7539a5"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">switch·cleanup·of·GAFF·types·(cc=&gt;cd,·...)·on·or·off··<a·href="../../d5/dc0/a05006.html#afe6595b2c8c0793b1c68a3e70c7539a5">More...</a><br·/></td></tr>
84 <tr·class="separator:afe6595b2c8c0793b1c68a3e70c7539a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:afe6595b2c8c0793b1c68a3e70c7539a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock">87 <div·class="textblock">
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d38/a00926_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d8/d38/a00926_source.html">GAFFTypeProcessor.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d45/a00011_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../da/d45/a00011_source.html">GAFFTypeProcessor.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="aef8d1ca422d01a94c08de7375db24418"·name="aef8d1ca422d01a94c08de7375db24418"></a>90 <a·id="aef8d1ca422d01a94c08de7375db24418"·name="aef8d1ca422d01a94c08de7375db24418"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#aef8d1ca422d01a94c08de7375db24418">&#9670;&nbsp;</a></span>ATOMTYPE_FILENAME</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#aef8d1ca422d01a94c08de7375db24418">&#9670;&nbsp;</a></span>ATOMTYPE_FILENAME</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
93 <div·class="memproto">93 <div·class="memproto">
94 <table·class="mlabels">94 <table·class="mlabels">
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106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
107 ··</tr>107 ··</tr>
108 </table>108 </table>
109 </div><div·class="memdoc">109 </div><div·class="memdoc">
  
110 <p>path·to·the·file·containing·the·atom·type·definitions·</p>110 <p>path·to·the·file·containing·the·atom·type·definitions·</p>
  
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d38/a00926_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../d8/d38/a00926_source.html">GAFFTypeProcessor.h</a>.</p>111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d45/a00011_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../da/d45/a00011_source.html">GAFFTypeProcessor.h</a>.</p>
  
112 </div>112 </div>
113 </div>113 </div>
114 <a·id="afe6595b2c8c0793b1c68a3e70c7539a5"·name="afe6595b2c8c0793b1c68a3e70c7539a5"></a>114 <a·id="afe6595b2c8c0793b1c68a3e70c7539a5"·name="afe6595b2c8c0793b1c68a3e70c7539a5"></a>
115 <h2·class="memtitle"><span·class="permalink"><a·href="#afe6595b2c8c0793b1c68a3e70c7539a5">&#9670;&nbsp;</a></span>GAFF_ATOMTYPE_POSTPROCESSING</h2>115 <h2·class="memtitle"><span·class="permalink"><a·href="#afe6595b2c8c0793b1c68a3e70c7539a5">&#9670;&nbsp;</a></span>GAFF_ATOMTYPE_POSTPROCESSING</h2>
  
116 <div·class="memitem">116 <div·class="memitem">
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132 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>132 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
133 ··</tr>133 ··</tr>
134 </table>134 </table>
135 </div><div·class="memdoc">135 </div><div·class="memdoc">
  
136 <p>switch·cleanup·of·GAFF·types·(cc=&gt;cd,·...)·on·or·off·</p>136 <p>switch·cleanup·of·GAFF·types·(cc=&gt;cd,·...)·on·or·off·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d38/a00926_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../d8/d38/a00926_source.html">GAFFTypeProcessor.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d45/a00011_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../da/d45/a00011_source.html">GAFFTypeProcessor.h</a>.</p>
  
138 </div>138 </div>
139 </div>139 </div>
140 </div><!--·contents·-->140 </div><!--·contents·-->
141 <!--·start·footer·part·-->141 <!--·start·footer·part·-->
142 <hr·class="footer"/><address·class="footer"><small>142 <hr·class="footer"/><address·class="footer"><small>
143 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4143 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d9/d75/a07835.html">List·of·all·members</a>··</div>71 <a·href="../../d9/d75/a07835.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ControlSelectionMessage·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ControlSelectionMessage·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d39/a01112_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::ControlSelectionMessage:</div>77 Inheritance·diagram·for·BALL::VIEW::ControlSelectionMessage:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d5/dc1/a07838.png"·usemap="#BALL::VIEW::ControlSelectionMessage_map"·alt=""/>80 ··<img·src="../../d5/dc1/a07838.png"·usemap="#BALL::VIEW::ControlSelectionMessage_map"·alt=""/>
81 ··<map·id="BALL::VIEW::ControlSelectionMessage_map"·name="BALL::VIEW::ControlSelectionMessage_map">81 ··<map·id="BALL::VIEW::ControlSelectionMessage_map"·name="BALL::VIEW::ControlSelectionMessage_map">
82 <area·href="../../d4/d8e/a07834.html"·alt="BALL::VIEW::GenericSelectionMessage"·shape="rect"·coords="0,56,234,80"/>82 <area·href="../../d4/d8e/a07834.html"·alt="BALL::VIEW::GenericSelectionMessage"·shape="rect"·coords="0,56,234,80"/>
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120 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>120 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>
121 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>121 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
122 </table>122 </table>
123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
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74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
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76 <p><a·href="../../d5/dd6/a01820_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../d5/dd6/a01820_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">81 <table·class="memberdecls">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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71 ··<div·class="headertitle"><div·class="title">fragmentationalSolvation.h·File·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">FFT1D.h·File·Reference</div></div>
72 </div><!--header-->74 </div><!--header-->
73 <div·class="contents">75 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d59/a20371_source.html">BALL/SCORING/COMPONENTS/solvation.h</a>&gt;</code><br·/>76 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../db/d77/a00683_source.html">BALL/DATATYPE/regularData1D.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;cmath&gt;</code><br·/>
 79 <code>#include·&lt;complex&gt;</code><br·/>
 80 <code>#include·&lt;fftw3.h&gt;</code><br·/>
 81 <code>#include·&lt;<a·class="el"·href="../../da/dd1/a00629_source.html">BALL/COMMON/constants.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d3/d5e/a00275_source.html">BALL/MATHS/fftwCommon.h</a>&gt;</code><br·/>
75 </div>83 </div>
76 <p><a·href="../../d5/ddf/a00224_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d5/ddf/a00224_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">85 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>87 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d41/a06270.html">BALL::FragmentationalSolvation</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d1a/a04798.html">BALL::TFFT1D&lt;·ComplexTraits·&gt;</a></td></tr>
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 98 <tr·class="memitem:aa2dd366a9e3f19dd1d9ab69698216bf7"><td·class="memItemLeft"·align="right"·valign="top">typedef·TFFT1D&lt;·BALL_FFTW_DEFAULT_TRAITS·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#aa2dd366a9e3f19dd1d9ab69698216bf7">BALL::FFT1D</a></td></tr>
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 102 Functions</h2></td></tr>
 103 <tr·class="memitem:acb9310bd477407e8f71a27f52e90fdd3"><td·class="memTemplParams"·colspan="2">template&lt;typename·ComplexTraits·&gt;·</td></tr>
 104 <tr·class="memitem:acb9310bd477407e8f71a27f52e90fdd3"><td·class="memTemplItemLeft"·align="right"·valign="top">const·RegularData1D·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#acb9310bd477407e8f71a27f52e90fdd3">BALL::operator&lt;&lt;</a>·(RegularData1D·&amp;to,·const·TFFT1D&lt;·ComplexTraits·&gt;·&amp;from)</td></tr>
 105 <tr·class="separator:acb9310bd477407e8f71a27f52e90fdd3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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72 </div><!--header-->65 </div><!--header-->
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74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../d8/d41/a00038_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d7/d00/a00401_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
78 </div> 
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72 <a·href="../../db/d40/a04987.html">List·of·all·members</a>··</div>72 <a·href="../../db/d40/a04987.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::CESwildcardsConnectionPredicate·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::CESwildcardsConnectionPredicate·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d5/d16/a00029_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
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79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d5/de1/a04990.png"·usemap="#BALL::GAFFCESParser::CESwildcardsConnectionPredicate_map"·alt=""/>81 ··<img·src="../../d5/de1/a04990.png"·usemap="#BALL::GAFFCESParser::CESwildcardsConnectionPredicate_map"·alt=""/>
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173 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>173 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
174 <div·class="textblock">174 <div·class="textblock">
175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00253">253</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">GAFFCESParser.h</a>.</p>175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00253">253</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
176 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>176 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
177 <a·id="a7b862e3dbc81b95c97df817853bd73aa"·name="a7b862e3dbc81b95c97df817853bd73aa"></a>177 <a·id="a7b862e3dbc81b95c97df817853bd73aa"·name="a7b862e3dbc81b95c97df817853bd73aa"></a>
178 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b862e3dbc81b95c97df817853bd73aa">&#9670;&nbsp;</a></span>CESwildcardsConnectionPredicate()</h2>178 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b862e3dbc81b95c97df817853bd73aa">&#9670;&nbsp;</a></span>CESwildcardsConnectionPredicate()</h2>
  
179 <div·class="memitem">179 <div·class="memitem">
180 <div·class="memproto">180 <div·class="memproto">
181 <table·class="mlabels">181 <table·class="mlabels">
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194 ··</td>194 ··</td>
195 ··<td·class="mlabels-right">195 ··<td·class="mlabels-right">
196 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>196 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
197 ··</tr>197 ··</tr>
198 </table>198 </table>
199 </div><div·class="memdoc">199 </div><div·class="memdoc">
  
200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00256">256</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">GAFFCESParser.h</a>.</p>200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00256">256</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
201 </div>201 </div>
202 </div>202 </div>
203 <a·id="acdf40ead976c8e80d60ee2a5b56aad3f"·name="acdf40ead976c8e80d60ee2a5b56aad3f"></a>203 <a·id="acdf40ead976c8e80d60ee2a5b56aad3f"·name="acdf40ead976c8e80d60ee2a5b56aad3f"></a>
204 <h2·class="memtitle"><span·class="permalink"><a·href="#acdf40ead976c8e80d60ee2a5b56aad3f">&#9670;&nbsp;</a></span>~CESwildcardsConnectionPredicate()</h2>204 <h2·class="memtitle"><span·class="permalink"><a·href="#acdf40ead976c8e80d60ee2a5b56aad3f">&#9670;&nbsp;</a></span>~CESwildcardsConnectionPredicate()</h2>
  
205 <div·class="memitem">205 <div·class="memitem">
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353 ··</td>353 ··</td>
354 ··<td·class="mlabels-right">354 ··<td·class="mlabels-right">
355 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>355 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
356 ··</tr>356 ··</tr>
357 </table>357 </table>
358 </div><div·class="memdoc">358 </div><div·class="memdoc">
  
359 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00272">272</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">GAFFCESParser.h</a>.</p>359 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00272">272</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
360 </div>360 </div>
361 </div>361 </div>
362 <a·id="a2dec0d185ad7f9545fde175f822153b8"·name="a2dec0d185ad7f9545fde175f822153b8"></a>362 <a·id="a2dec0d185ad7f9545fde175f822153b8"·name="a2dec0d185ad7f9545fde175f822153b8"></a>
363 <h2·class="memtitle"><span·class="permalink"><a·href="#a2dec0d185ad7f9545fde175f822153b8">&#9670;&nbsp;</a></span>wildcards_</h2>363 <h2·class="memtitle"><span·class="permalink"><a·href="#a2dec0d185ad7f9545fde175f822153b8">&#9670;&nbsp;</a></span>wildcards_</h2>
  
364 <div·class="memitem">364 <div·class="memitem">
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377 ··</td>377 ··</td>
378 ··<td·class="mlabels-right">378 ··<td·class="mlabels-right">
379 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>379 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
380 ··</tr>380 ··</tr>
381 </table>381 </table>
382 </div><div·class="memdoc">382 </div><div·class="memdoc">
  
383 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00271">271</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">GAFFCESParser.h</a>.</p>383 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00271">271</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
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385 </div>385 </div>
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389 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4389 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
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71 <a·href="../../d4/d9c/a03231.html">List·of·all·members</a>··</div>71 <a·href="../../d4/d9c/a03231.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Client::InvalidClient·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Client::InvalidClient·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d41/a01661_source.html">BALL/CONCEPT/client.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d8/d1c/a00824_source.html">BALL/CONCEPT/client.h</a>&gt;</code></p>
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77 Inheritance·diagram·for·BALL::Client::InvalidClient:</div>77 Inheritance·diagram·for·BALL::Client::InvalidClient:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d5/de7/a03234.png"·usemap="#BALL::Client::InvalidClient_map"·alt=""/>80 ··<img·src="../../d5/de7/a03234.png"·usemap="#BALL::Client::InvalidClient_map"·alt=""/>
81 ··<map·id="BALL::Client::InvalidClient_map"·name="BALL::Client::InvalidClient_map">81 ··<map·id="BALL::Client::InvalidClient_map"·name="BALL::Client::InvalidClient_map">
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
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134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·><a·class="el"·href="../../d5/de7/a03234.html">InvalidClient</a>·exception·class.·This·exception·will·be·thrown·whenever·a·client·action·will·be·executed·without·an·open·working·connection.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a>·<br··/>136 <div·class="textblock"><p·><a·class="el"·href="../../d5/de7/a03234.html">InvalidClient</a>·exception·class.·This·exception·will·be·thrown·whenever·a·client·action·will·be·executed·without·an·open·working·connection.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a>·<br··/>
137 ·</dd></dl>137 ·</dd></dl>
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d41/a01661_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d4/d41/a01661_source.html">client.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d1c/a00824_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d8/d1c/a00824_source.html">client.h</a>.</p>
139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
140 <a·id="aab45492b38a71043364d34ad7c312449"·name="aab45492b38a71043364d34ad7c312449"></a>140 <a·id="aab45492b38a71043364d34ad7c312449"·name="aab45492b38a71043364d34ad7c312449"></a>
141 <h2·class="memtitle"><span·class="permalink"><a·href="#aab45492b38a71043364d34ad7c312449">&#9670;&nbsp;</a></span>InvalidClient()</h2>141 <h2·class="memtitle"><span·class="permalink"><a·href="#aab45492b38a71043364d34ad7c312449">&#9670;&nbsp;</a></span>InvalidClient()</h2>
  
142 <div·class="memitem">142 <div·class="memitem">
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71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
73 <a·href="../../d3/d0e/a06399.html">List·of·all·members</a>··</div>73 <a·href="../../d3/d0e/a06399.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::MMScoring·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::MMScoring·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a00305_source.html">BALL/SCORING/FUNCTIONS/MMScoring.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d7/dbe/a02024_source.html">BALL/SCORING/FUNCTIONS/MMScoring.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::MMScoring:</div>79 Inheritance·diagram·for·BALL::MMScoring:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d5/de7/a06402.png"·usemap="#BALL::MMScoring_map"·alt=""/>82 ··<img·src="../../d5/de7/a06402.png"·usemap="#BALL::MMScoring_map"·alt=""/>
83 ··<map·id="BALL::MMScoring_map"·name="BALL::MMScoring_map">83 ··<map·id="BALL::MMScoring_map"·name="BALL::MMScoring_map">
84 <area·href="../../dc/d1e/a06126.html"·alt="BALL::DifferentiableScoringFunction"·shape="rect"·coords="0,56,218,80"/>84 <area·href="../../dc/d1e/a06126.html"·alt="BALL::DifferentiableScoringFunction"·shape="rect"·coords="0,56,218,80"/>
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406 <tr·class="inherit_header·pub_static_attribs_a06166"><td·colspan="2"·onclick="javascript:toggleInherit('pub_static_attribs_a06166')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Public·Attributes·inherited·from·<a·class="el"·href="../../d0/d64/a06166.html">BALL::ScoringFunction</a></td></tr>406 <tr·class="inherit_header·pub_static_attribs_a06166"><td·colspan="2"·onclick="javascript:toggleInherit('pub_static_attribs_a06166')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Public·Attributes·inherited·from·<a·class="el"·href="../../d0/d64/a06166.html">BALL::ScoringFunction</a></td></tr>
407 <tr·class="memitem:a2df2601043e50488cb2f20981a4604d8·inherit·pub_static_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a2df2601043e50488cb2f20981a4604d8">SUBCATEGORY_NAME</a></td></tr>407 <tr·class="memitem:a2df2601043e50488cb2f20981a4604d8·inherit·pub_static_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a2df2601043e50488cb2f20981a4604d8">SUBCATEGORY_NAME</a></td></tr>
408 <tr·class="separator:a2df2601043e50488cb2f20981a4604d8·inherit·pub_static_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>408 <tr·class="separator:a2df2601043e50488cb2f20981a4604d8·inherit·pub_static_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
409 </table>409 </table>
410 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>410 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
411 <div·class="textblock">411 <div·class="textblock">
412 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a00305_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d3/d07/a00305_source.html">MMScoring.h</a>.</p>412 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dbe/a02024_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d7/dbe/a02024_source.html">MMScoring.h</a>.</p>
413 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>413 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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415 <h2·class="memtitle"><span·class="permalink"><a·href="#ae8ccc0a9326fa8a88ba2e6e982397996">&#9670;&nbsp;</a></span>MMScoring()·<span·class="overload">[1/2]</span></h2>415 <h2·class="memtitle"><span·class="permalink"><a·href="#ae8ccc0a9326fa8a88ba2e6e982397996">&#9670;&nbsp;</a></span>MMScoring()·<span·class="overload">[1/2]</span></h2>
  
416 <div·class="memitem">416 <div·class="memitem">
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551 ··<td·class="mlabels-right">551 ··<td·class="mlabels-right">
552 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>552 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
553 ··</tr>553 ··</tr>
554 </table>554 </table>
555 </div><div·class="memdoc">555 </div><div·class="memdoc">
556 <p·>saving·the·<a·class="el"·href="../../dd/d9e/a05378.html">ForceFieldParameters</a>·here·allow·access·to·the·atom-types·and·prevents·multiple·reading·of·the·same·parameter·file·in·case·of·mulitple·force-fields·components·</p>556 <p·>saving·the·<a·class="el"·href="../../dd/d9e/a05378.html">ForceFieldParameters</a>·here·allow·access·to·the·atom-types·and·prevents·multiple·reading·of·the·same·parameter·file·in·case·of·mulitple·force-fields·components·</p>
  
557 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a00305_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d3/d07/a00305_source.html">MMScoring.h</a>.</p>557 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dbe/a02024_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d7/dbe/a02024_source.html">MMScoring.h</a>.</p>
  
558 </div>558 </div>
559 </div>559 </div>
560 </div><!--·contents·-->560 </div><!--·contents·-->
561 <!--·start·footer·part·-->561 <!--·start·footer·part·-->
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72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d0/d36/a01916_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
76 <code>#include·&lt;set&gt;</code><br·/> 
77 </div>77 </div>
78 <p><a·href="../../d5/de8/a00749_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d5/de8/a00749_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">79 <table·class="memberdecls">
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 106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/de8/a00749_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d5/de8/a00749_source.html">fileSystem.h</a>.</p>
  
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_b878c16349dc35cd6d238899ef64b59a.html">MDSIMULATION</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">buriedPolar.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">molecularDynamics.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/dc8/a00242_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../df/d98/a00107_source.html">BALL/MOLMEC/COMMON/atomVector.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d1/da8/a00230_source.html">BALL/SCORING/COMPONENTS/fresnoTypes.h</a>&gt;</code><br·/>77 <code>#include·&lt;vector&gt;</code><br·/>
77 </div>78 </div>
78 <p><a·href="../../d5/de9/a00176_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d5/de9/a00176_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">80 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0c/a06222.html">BALL::BuriedPolar::Default</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dab/a05162.html">BALL::MolecularDynamics::Default</a></td></tr>
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68 <div·class="header">68 <div·class="header">
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71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TwoColoredTube·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TwoColoredTube·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../dc/d85/a01436_source.html">BALL/VIEW/PRIMITIVES/twoColoredTube.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d9/d6e/a01409_source.html">BALL/VIEW/PRIMITIVES/twoColoredTube.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::TwoColoredTube:</div>76 Inheritance·diagram·for·BALL::VIEW::TwoColoredTube:</div>
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80 ··<map·id="BALL::VIEW::TwoColoredTube_map"·name="BALL::VIEW::TwoColoredTube_map">80 ··<map·id="BALL::VIEW::TwoColoredTube_map"·name="BALL::VIEW::TwoColoredTube_map">
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255 <li>color2·-·the·color·for·the·second·vertex·of·the·tube</li>255 <li>color2·-·the·color·for·the·second·vertex·of·the·tube</li>
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258 <dl·class="section·user"><dt></dt><dd></dd></dl>258 <dl·class="section·user"><dt></dt><dd></dd></dl>
259 </li>259 </li>
260 </ul>260 </ul>
  
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487 ··</tr>487 ··</tr>
488 </table>488 </table>
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490 <p>Get·the·radius.·</p>490 <p>Get·the·radius.·</p>
  
491 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d85/a01436_source.html#l00179">179</a>·of·file·<a·class="el"·href="../../dc/d85/a01436_source.html">twoColoredTube.h</a>.</p>491 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d6e/a01409_source.html#l00179">179</a>·of·file·<a·class="el"·href="../../d9/d6e/a01409_source.html">twoColoredTube.h</a>.</p>
  
492 </div>492 </div>
493 </div>493 </div>
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495 <h2·class="memtitle"><span·class="permalink"><a·href="#a62f134af59a4f1b26d14397a87e604b9">&#9670;&nbsp;</a></span>getVertices()</h2>495 <h2·class="memtitle"><span·class="permalink"><a·href="#a62f134af59a4f1b26d14397a87e604b9">&#9670;&nbsp;</a></span>getVertices()</h2>
  
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614 </div><div·class="memdoc">614 </div><div·class="memdoc">
  
615 <p>Set·the·radius.·</p>615 <p>Set·the·radius.·</p>
  
616 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d85/a01436_source.html#l00183">183</a>·of·file·<a·class="el"·href="../../dc/d85/a01436_source.html">twoColoredTube.h</a>.</p>616 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d6e/a01409_source.html#l00183">183</a>·of·file·<a·class="el"·href="../../d9/d6e/a01409_source.html">twoColoredTube.h</a>.</p>
  
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620 <h2·class="memtitle"><span·class="permalink"><a·href="#a7a79b9b2b032a9d6cfb0a742d8ac39f6">&#9670;&nbsp;</a></span>swap()</h2>620 <h2·class="memtitle"><span·class="permalink"><a·href="#a7a79b9b2b032a9d6cfb0a742d8ac39f6">&#9670;&nbsp;</a></span>swap()</h2>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
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66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
 71 <a·href="#define-members">Macros</a>··</div>
71 ··<div·class="headertitle"><div·class="title">constraints.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">protein.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dc8/a00581_source.html">BALL/KERNEL/chainIterator.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d7/d02/a01808_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../dd/de7/a01868_source.html">BALL/MATHS/plane3.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d4/d1e/a00497_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>
78 <code>#include·&lt;<a·class="el"·href="../../d1/db0/a01928_source.html">BALL/DATATYPE/hashGrid.h</a>&gt;</code><br·/> 
79 </div>77 </div>
80 <p><a·href="../../d5/dee/a00518_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d5/dee/a00518_source.html">Go·to·the·source·code·of·this·file.</a></p>
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85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/df2/a03638.html">BALL::ReferenceArea</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dc0/a04602.html">BALL::Protein</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dd9/a03642.html">BALL::PharmacophoreConstraint</a></td></tr> 
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 92 <tr·class="memitem:a49d348a764c8578933e3a61a1a6122b4"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dee/a00518.html#a49d348a764c8578933e3a61a1a6122b4">BALL_PROTEIN_DEFAULT_ID</a>&#160;&#160;&#160;&quot;&quot;</td></tr>
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97 </table>94 </table>
 95 <h2·class="groupheader">Macro·Definition·Documentation</h2>
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 97 <h2·class="memtitle"><span·class="permalink"><a·href="#a49d348a764c8578933e3a61a1a6122b4">&#9670;&nbsp;</a></span>BALL_PROTEIN_DEFAULT_ID</h2>
  
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 104 ······</table>
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 106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dee/a00518_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d5/dee/a00518_source.html">protein.h</a>.</p>
  
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 108 </div>
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72 ··<div·class="headertitle"><div·class="title">BALL::AStarBondOrderStrategy::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::AStarBondOrderStrategy::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../d5/dee/a06710.html"·title="Option·names.">Option</a>·names.··75 <p><a·class="el"·href="../../d5/dee/a06710.html"·title="Option·names.">Option</a>·names.··
76 ·<a·href="../../d5/dee/a06710.html#details">More...</a></p>76 ·<a·href="../../d5/dee/a06710.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d6/dfa/a00626_source.html">BALL/STRUCTURE/BONDORDERS/AStarBondOrderStrategy.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../dd/d08/a01682_source.html">BALL/STRUCTURE/BONDORDERS/AStarBondOrderStrategy.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
80 Static·Public·Attributes</h2></td></tr>80 Static·Public·Attributes</h2></td></tr>
81 <tr·class="memitem:ac559cb6d24d9a9b965de35753bc031fd"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dee/a06710.html#ac559cb6d24d9a9b965de35753bc031fd">HEURISTIC</a></td></tr>81 <tr·class="memitem:ac559cb6d24d9a9b965de35753bc031fd"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dee/a06710.html#ac559cb6d24d9a9b965de35753bc031fd">HEURISTIC</a></td></tr>
82 <tr·class="separator:ac559cb6d24d9a9b965de35753bc031fd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:ac559cb6d24d9a9b965de35753bc031fd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock"><p·><a·class="el"·href="../../d5/dee/a06710.html"·title="Option·names.">Option</a>·names.·</p>85 <div·class="textblock"><p·><a·class="el"·href="../../d5/dee/a06710.html"·title="Option·names.">Option</a>·names.·</p>
  
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfa/a00626_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d6/dfa/a00626_source.html">AStarBondOrderStrategy.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">AStarBondOrderStrategy.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="ac559cb6d24d9a9b965de35753bc031fd"·name="ac559cb6d24d9a9b965de35753bc031fd"></a>88 <a·id="ac559cb6d24d9a9b965de35753bc031fd"·name="ac559cb6d24d9a9b965de35753bc031fd"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#ac559cb6d24d9a9b965de35753bc031fd">&#9670;&nbsp;</a></span>HEURISTIC</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#ac559cb6d24d9a9b965de35753bc031fd">&#9670;&nbsp;</a></span>HEURISTIC</h2>
  
90 <div·class="memitem">90 <div·class="memitem">
91 <div·class="memproto">91 <div·class="memproto">
92 <table·class="mlabels">92 <table·class="mlabels">
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109 </div><div·class="memdoc">109 </div><div·class="memdoc">
110 <p·>heuristic·defining·the·tightness·of·the·search·critria·</p><dl·class="section·see"><dt>See·also</dt><dd>Option::Heuristic::SIMPLE·</dd>110 <p·>heuristic·defining·the·tightness·of·the·search·critria·</p><dl·class="section·see"><dt>See·also</dt><dd>Option::Heuristic::SIMPLE·</dd>
111 <dd>111 <dd>
112 Option::Heuristic::MEDIUM·</dd>112 Option::Heuristic::MEDIUM·</dd>
113 <dd>113 <dd>
114 Option::Heuristic::TIGHT·</dd></dl>114 Option::Heuristic::TIGHT·</dd></dl>
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfa/a00626_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d6/dfa/a00626_source.html">AStarBondOrderStrategy.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">AStarBondOrderStrategy.h</a>.</p>
  
116 </div>116 </div>
117 </div>117 </div>
118 </div><!--·contents·-->118 </div><!--·contents·-->
119 <!--·start·footer·part·-->119 <!--·start·footer·part·-->
120 <hr·class="footer"/><address·class="footer"><small>120 <hr·class="footer"/><address·class="footer"><small>
121 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4121 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">hydrogenBond.h·File·Reference</div></div>68 ··<div·class="headertitle"><div·class="title">concept.h·File·Reference</div></div>
72 </div><!--header-->69 </div><!--header-->
73 <div·class="contents">70 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/dc8/a00242_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>71 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d00/a00785_source.html">BALL/CONCEPT/XDRPersistenceManager.h</a>&gt;</code><br·/>
 72 <code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/CONCEPT/autoDeletable.h</a>&gt;</code><br·/>
 73 <code>#include·&lt;<a·class="el"·href="../../dc/d1b/a00827_source.html">BALL/CONCEPT/bidirectionalIterator.h</a>&gt;</code><br·/>
 74 <code>#include·&lt;BALL/CONCEPT/callback.h&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d3/d95/a00779_source.html">BALL/CONCEPT/comparator.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d7/dcf/a00845_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d1/da8/a00230_source.html">BALL/SCORING/COMPONENTS/fresnoTypes.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d3/d13/a00836_source.html">BALL/CONCEPT/forwardIterator.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d0/d11/a00842_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d5/d72/a00803_source.html">BALL/CONCEPT/randomAccessIterator.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;BALL/CONCEPT/reverseRandomAccessIterator.h&gt;</code><br·/>
 81 <code>#include·&lt;BALL/CONCEPT/singleton.h&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d9/daf/a00830_source.html">BALL/CONCEPT/textPersistenceManager.h</a>&gt;</code><br·/>
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78 <p><a·href="../../d5/df1/a00206_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d5/df1/a00206_source.html">Go·to·the·source·code·of·this·file.</a></p>
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72 ··<div·class="headertitle"><div·class="title">BALL::TriangulatedSphere::Face·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TriangulatedSphere::Face·Struct·Reference</div></div>
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75 <p><code>#include·&lt;<a·class="el"·href="../../d7/db1/a00590_source.html">BALL/STRUCTURE/triangulatedSurface.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dc/d71/a01664_source.html">BALL/STRUCTURE/triangulatedSurface.h</a>&gt;</code></p>
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103 </div>103 </div>
104 </div>104 </div>
105 <a·id="a11997e4d1abe9d43d14f5a45cebe88a4"·name="a11997e4d1abe9d43d14f5a45cebe88a4"></a>105 <a·id="a11997e4d1abe9d43d14f5a45cebe88a4"·name="a11997e4d1abe9d43d14f5a45cebe88a4"></a>
106 <h2·class="memtitle"><span·class="permalink"><a·href="#a11997e4d1abe9d43d14f5a45cebe88a4">&#9670;&nbsp;</a></span>ecount</h2>106 <h2·class="memtitle"><span·class="permalink"><a·href="#a11997e4d1abe9d43d14f5a45cebe88a4">&#9670;&nbsp;</a></span>ecount</h2>
  
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121 </div>121 </div>
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137 </div>137 </div>
138 </div>138 </div>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_8cdbfb4bef7508ff4809ac8ed890f379.html">CHARMM</a></li>··</ul>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
 71 <a·href="#define-members">Macros</a>··</div>
71 ··<div·class="headertitle"><div·class="title">CCP4File.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">charmmImproperTorsion.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/dbe/a01706_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../da/d1e/a00149_source.html">BALL/MOLMEC/PARAMETER/quadraticImproperTorsion.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d6/d7d/a00161_source.html">BALL/MOLMEC/PARAMETER/residueTorsions.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../db/dab/a00089_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/d29/a01895_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>79 <code>#include·&lt;<a·class="el"·href="../../d3/d8b/a00059_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>
76 </div>80 </div>
77 <p><a·href="../../d5/df9/a00044_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../d5/df9/a00044_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">82 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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 95 <tr·class="memitem:a18d420c0121c8e05702d3575d239061b"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/df9/a00044.html#a18d420c0121c8e05702d3575d239061b">CHARMM_IMPROPER_TORSIONS_ENABLED</a>&#160;&#160;&#160;&quot;enable·IT&quot;</td></tr>
 96 <tr·class="memdesc:a18d420c0121c8e05702d3575d239061b"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·improper·torsions··<a·href="../../d5/df9/a00044.html#a18d420c0121c8e05702d3575d239061b">More...</a><br·/></td></tr>
 97 <tr·class="separator:a18d420c0121c8e05702d3575d239061b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 99 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 100 <a·id="a18d420c0121c8e05702d3575d239061b"·name="a18d420c0121c8e05702d3575d239061b"></a>
 101 <h2·class="memtitle"><span·class="permalink"><a·href="#a18d420c0121c8e05702d3575d239061b">&#9670;&nbsp;</a></span>CHARMM_IMPROPER_TORSIONS_ENABLED</h2>
  
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 103 <div·class="memproto">
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 105 ········<tr>
 106 ··········<td·class="memname">#define·CHARMM_IMPROPER_TORSIONS_ENABLED&#160;&#160;&#160;&quot;enable·IT&quot;</td>
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 109 </div><div·class="memdoc">
  
 110 <p>flag·to·enable·improper·torsions·</p>
  
 111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/df9/a00044_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../d5/df9/a00044_source.html">charmmImproperTorsion.h</a>.</p>
  
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73 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCRYST1·Struct·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCRYST1·Struct·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
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91 <tr·class="separator:ace6146dbf55e134d48500cfb6628f301"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:ace6146dbf55e134d48500cfb6628f301"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00564">564</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00564">564</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
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120 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordCRYST1::record_type</td>120 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordCRYST1::record_type</td>
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125 </div>125 </div>
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72 ··<div·class="headertitle"><div·class="title">BALL::BuriedPolar·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::BuriedPolar·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/de9/a00176_source.html">BALL/SCORING/COMPONENTS/buriedPolar.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d2/dea/a02057_source.html">BALL/SCORING/COMPONENTS/buriedPolar.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::BuriedPolar:</div>77 Inheritance·diagram·for·BALL::BuriedPolar:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d6/d0b/a06214.png"·usemap="#BALL::BuriedPolar_map"·alt=""/>80 ··<img·src="../../d6/d0b/a06214.png"·usemap="#BALL::BuriedPolar_map"·alt=""/>
81 ··<map·id="BALL::BuriedPolar_map"·name="BALL::BuriedPolar_map">81 ··<map·id="BALL::BuriedPolar_map"·name="BALL::BuriedPolar_map">
82 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>82 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
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202 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>202 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
203 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>203 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
204 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>204 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
205 </table>205 </table>
206 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>206 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
207 <div·class="textblock"><p·>Fresno·buried·polar·component.·{\bf·Definition:}·\URL{BALL/DOCKING/SCORING_COMPONENTS/buriedPolar.h}·</p>207 <div·class="textblock"><p·>Fresno·buried·polar·component.·{\bf·Definition:}·\URL{BALL/DOCKING/SCORING_COMPONENTS/buriedPolar.h}·</p>
  
208 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/de9/a00176_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d5/de9/a00176_source.html">buriedPolar.h</a>.</p>208 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dea/a02057_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d2/dea/a02057_source.html">buriedPolar.h</a>.</p>
209 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>209 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
210 <a·id="af216d2206e2a65a4959924ff9e43300f"·name="af216d2206e2a65a4959924ff9e43300f"></a>210 <a·id="af216d2206e2a65a4959924ff9e43300f"·name="af216d2206e2a65a4959924ff9e43300f"></a>
211 <h2·class="memtitle"><span·class="permalink"><a·href="#af216d2206e2a65a4959924ff9e43300f">&#9670;&nbsp;</a></span>BuriedPolar()·<span·class="overload">[1/2]</span></h2>211 <h2·class="memtitle"><span·class="permalink"><a·href="#af216d2206e2a65a4959924ff9e43300f">&#9670;&nbsp;</a></span>BuriedPolar()·<span·class="overload">[1/2]</span></h2>
  
212 <div·class="memitem">212 <div·class="memitem">
213 <div·class="memproto">213 <div·class="memproto">
214 ······<table·class="memname">214 ······<table·class="memname">
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71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="#friends">Friends</a>·&#124;72 <a·href="#friends">Friends</a>·&#124;
73 <a·href="../../de/d49/a06155.html">List·of·all·members</a>··</div>73 <a·href="../../de/d49/a06155.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::ScoreGridSet·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::ScoreGridSet·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../dd/dd7/a00248_source.html">BALL/SCORING/COMMON/scoreGridSet.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d3/d67/a01958_source.html">BALL/SCORING/COMMON/scoreGridSet.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
80 Public·Member·Functions</h2></td></tr>80 Public·Member·Functions</h2></td></tr>
81 <tr·class="memitem:a862bc785e6d5a73f55bd89e3a8c1273b"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0c/a06158.html#a862bc785e6d5a73f55bd89e3a8c1273b">ScoreGridSet</a>·(<a·class="el"·href="../../dc/d40/a06134.html">GridBasedScoring</a>·*gbs,·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&amp;v_origin,·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&amp;size,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;resolution)</td></tr>81 <tr·class="memitem:a862bc785e6d5a73f55bd89e3a8c1273b"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0c/a06158.html#a862bc785e6d5a73f55bd89e3a8c1273b">ScoreGridSet</a>·(<a·class="el"·href="../../dc/d40/a06134.html">GridBasedScoring</a>·*gbs,·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&amp;v_origin,·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&amp;size,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;resolution)</td></tr>
82 <tr·class="separator:a862bc785e6d5a73f55bd89e3a8c1273b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a862bc785e6d5a73f55bd89e3a8c1273b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:aa49ca80e64163bc0906b45294990dfb3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0c/a06158.html#aa49ca80e64163bc0906b45294990dfb3">ScoreGridSet</a>·(<a·class="el"·href="../../dc/d40/a06134.html">GridBasedScoring</a>·*gbs)</td></tr>83 <tr·class="memitem:aa49ca80e64163bc0906b45294990dfb3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0c/a06158.html#aa49ca80e64163bc0906b45294990dfb3">ScoreGridSet</a>·(<a·class="el"·href="../../dc/d40/a06134.html">GridBasedScoring</a>·*gbs)</td></tr>
84 <tr·class="separator:aa49ca80e64163bc0906b45294990dfb3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:aa49ca80e64163bc0906b45294990dfb3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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155 Friends</h2></td></tr>155 Friends</h2></td></tr>
156 <tr·class="memitem:a6ada750044d8e240c475addd2a90530d"><td·class="memItemLeft"·align="right"·valign="top">class&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0c/a06158.html#a6ada750044d8e240c475addd2a90530d">GridBasedScoring</a></td></tr>156 <tr·class="memitem:a6ada750044d8e240c475addd2a90530d"><td·class="memItemLeft"·align="right"·valign="top">class&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0c/a06158.html#a6ada750044d8e240c475addd2a90530d">GridBasedScoring</a></td></tr>
157 <tr·class="separator:a6ada750044d8e240c475addd2a90530d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>157 <tr·class="separator:a6ada750044d8e240c475addd2a90530d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
158 </table>158 </table>
159 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>159 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
160 <div·class="textblock"><p·>A·<a·class="el"·href="../../d6/d0c/a06158.html">ScoreGridSet</a>·is·a·set·of·grids·that·describes·a·specified·area·with·one·Grid·for·each·AtomType·</p>160 <div·class="textblock"><p·>A·<a·class="el"·href="../../d6/d0c/a06158.html">ScoreGridSet</a>·is·a·set·of·grids·that·describes·a·specified·area·with·one·Grid·for·each·AtomType·</p>
  
161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dd7/a00248_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../dd/dd7/a00248_source.html">scoreGridSet.h</a>.</p>161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d67/a01958_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d3/d67/a01958_source.html">scoreGridSet.h</a>.</p>
162 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>162 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
163 <a·id="a862bc785e6d5a73f55bd89e3a8c1273b"·name="a862bc785e6d5a73f55bd89e3a8c1273b"></a>163 <a·id="a862bc785e6d5a73f55bd89e3a8c1273b"·name="a862bc785e6d5a73f55bd89e3a8c1273b"></a>
164 <h2·class="memtitle"><span·class="permalink"><a·href="#a862bc785e6d5a73f55bd89e3a8c1273b">&#9670;&nbsp;</a></span>ScoreGridSet()·<span·class="overload">[1/4]</span></h2>164 <h2·class="memtitle"><span·class="permalink"><a·href="#a862bc785e6d5a73f55bd89e3a8c1273b">&#9670;&nbsp;</a></span>ScoreGridSet()·<span·class="overload">[1/4]</span></h2>
  
165 <div·class="memitem">165 <div·class="memitem">
166 <div·class="memproto">166 <div·class="memproto">
167 ······<table·class="memname">167 ······<table·class="memname">
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810 ··</td>810 ··</td>
811 ··<td·class="mlabels-right">811 ··<td·class="mlabels-right">
812 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>812 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
813 ··</tr>813 ··</tr>
814 </table>814 </table>
815 </div><div·class="memdoc">815 </div><div·class="memdoc">
  
816 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dd7/a00248_source.html#l00177">177</a>·of·file·<a·class="el"·href="../../dd/dd7/a00248_source.html">scoreGridSet.h</a>.</p>816 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d67/a01958_source.html#l00177">177</a>·of·file·<a·class="el"·href="../../d3/d67/a01958_source.html">scoreGridSet.h</a>.</p>
  
817 </div>817 </div>
818 </div>818 </div>
819 <h2·class="groupheader">Member·Data·Documentation</h2>819 <h2·class="groupheader">Member·Data·Documentation</h2>
820 <a·id="a587fe0687bd6bffc128460cc87fdcbfd"·name="a587fe0687bd6bffc128460cc87fdcbfd"></a>820 <a·id="a587fe0687bd6bffc128460cc87fdcbfd"·name="a587fe0687bd6bffc128460cc87fdcbfd"></a>
821 <h2·class="memtitle"><span·class="permalink"><a·href="#a587fe0687bd6bffc128460cc87fdcbfd">&#9670;&nbsp;</a></span>interaction_no_scale_</h2>821 <h2·class="memtitle"><span·class="permalink"><a·href="#a587fe0687bd6bffc128460cc87fdcbfd">&#9670;&nbsp;</a></span>interaction_no_scale_</h2>
  
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827 ······<table·class="memname">827 ······<table·class="memname">
828 ········<tr>828 ········<tr>
829 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::ScoreGridSet::interaction_no_scale_</td>829 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::ScoreGridSet::interaction_no_scale_</td>
830 ········</tr>830 ········</tr>
831 ······</table>831 ······</table>
832 </div><div·class="memdoc">832 </div><div·class="memdoc">
  
833 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dd7/a00248_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../dd/dd7/a00248_source.html">scoreGridSet.h</a>.</p>833 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d67/a01958_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../d3/d67/a01958_source.html">scoreGridSet.h</a>.</p>
  
834 </div>834 </div>
835 </div>835 </div>
836 <a·id="ac26538db3053ad933e51713d9aa26727"·name="ac26538db3053ad933e51713d9aa26727"></a>836 <a·id="ac26538db3053ad933e51713d9aa26727"·name="ac26538db3053ad933e51713d9aa26727"></a>
837 <h2·class="memtitle"><span·class="permalink"><a·href="#ac26538db3053ad933e51713d9aa26727">&#9670;&nbsp;</a></span>name</h2>837 <h2·class="memtitle"><span·class="permalink"><a·href="#ac26538db3053ad933e51713d9aa26727">&#9670;&nbsp;</a></span>name</h2>
  
838 <div·class="memitem">838 <div·class="memitem">
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843 ······<table·class="memname">843 ······<table·class="memname">
844 ········<tr>844 ········<tr>
845 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::ScoreGridSet::name</td>845 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::ScoreGridSet::name</td>
846 ········</tr>846 ········</tr>
847 ······</table>847 ······</table>
848 </div><div·class="memdoc">848 </div><div·class="memdoc">
  
849 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dd7/a00248_source.html#l00109">109</a>·of·file·<a·class="el"·href="../../dd/dd7/a00248_source.html">scoreGridSet.h</a>.</p>849 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d67/a01958_source.html#l00109">109</a>·of·file·<a·class="el"·href="../../d3/d67/a01958_source.html">scoreGridSet.h</a>.</p>
  
850 </div>850 </div>
851 </div>851 </div>
852 <a·id="ad863fb6326e79c2f441e65ee84a65d21"·name="ad863fb6326e79c2f441e65ee84a65d21"></a>852 <a·id="ad863fb6326e79c2f441e65ee84a65d21"·name="ad863fb6326e79c2f441e65ee84a65d21"></a>
853 <h2·class="memtitle"><span·class="permalink"><a·href="#ad863fb6326e79c2f441e65ee84a65d21">&#9670;&nbsp;</a></span>reference_interactions</h2>853 <h2·class="memtitle"><span·class="permalink"><a·href="#ad863fb6326e79c2f441e65ee84a65d21">&#9670;&nbsp;</a></span>reference_interactions</h2>
  
854 <div·class="memitem">854 <div·class="memitem">
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860 ········<tr>860 ········<tr>
861 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·BALL::ScoreGridSet::reference_interactions</td>861 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·BALL::ScoreGridSet::reference_interactions</td>
862 ········</tr>862 ········</tr>
863 ······</table>863 ······</table>
864 </div><div·class="memdoc">864 </div><div·class="memdoc">
865 <p·>the·average·number·of·interactions·per·reference·ligand·atom·</p>865 <p·>the·average·number·of·interactions·per·reference·ligand·atom·</p>
  
866 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dd7/a00248_source.html#l00112">112</a>·of·file·<a·class="el"·href="../../dd/dd7/a00248_source.html">scoreGridSet.h</a>.</p>866 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d67/a01958_source.html#l00112">112</a>·of·file·<a·class="el"·href="../../d3/d67/a01958_source.html">scoreGridSet.h</a>.</p>
  
867 </div>867 </div>
868 </div>868 </div>
869 </div><!--·contents·-->869 </div><!--·contents·-->
870 <!--·start·footer·part·-->870 <!--·start·footer·part·-->
871 <hr·class="footer"/><address·class="footer"><small>871 <hr·class="footer"/><address·class="footer"><small>
872 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4872 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../d9/d20/a06219.html">List·of·all·members</a>··</div>71 <a·href="../../d9/d20/a06219.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::BuriedPolar::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::BuriedPolar::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/de9/a00176_source.html">BALL/SCORING/COMPONENTS/buriedPolar.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d2/dea/a02057_source.html">BALL/SCORING/COMPONENTS/buriedPolar.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
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78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c87a3f409bf7b467c2853acf63d5429e.html">INPUT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">inputPlugin.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">preferences.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;QtCore/QtPlugin&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;BALL/VIEW/UIC/ui_preferences.h&gt;</code><br·/>
75 </div>79 </div>
76 <p><a·href="../../d6/d0f/a01256_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../d6/d0f/a01256_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">81 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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76 ··<div·class="headertitle"><div·class="title">BALL::MMFF94TorsionParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>76 ··<div·class="headertitle"><div·class="title">BALL::MMFF94TorsionParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>
77 </div><!--header-->77 </div><!--header-->
78 <div·class="contents">78 <div·class="contents">
  
79 <p><code>#include·&lt;<a·class="el"·href="../../df/d88/a00962_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>79 <p><code>#include·&lt;<a·class="el"·href="../../df/dc8/a00122_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>
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82 <div·class="dyncontent">82 <div·class="dyncontent">
83 ·<div·class="center">83 ·<div·class="center">
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164 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>164 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
165 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·torsions·(see·MMFFTOR.PAR)·</p>165 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·torsions·(see·MMFFTOR.PAR)·</p>
  
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171 <div·class="memproto">171 <div·class="memproto">
172 ······<table·class="memname">172 ······<table·class="memname">
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177 ········</tr>177 ········</tr>
178 ······</table>178 ······</table>
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180 <p>Map·with·the·force·constant·and·reference·angle.·</p>180 <p>Map·with·the·force·constant·and·reference·angle.·</p>
  
181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00372">372</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00372">372</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
182 </div>182 </div>
183 </div>183 </div>
184 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>184 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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186 <h2·class="memtitle"><span·class="permalink"><a·href="#a4d2dddf9412c39f6e7c045ff4c8972b1">&#9670;&nbsp;</a></span>MMFF94TorsionParameters()</h2>186 <h2·class="memtitle"><span·class="permalink"><a·href="#a4d2dddf9412c39f6e7c045ff4c8972b1">&#9670;&nbsp;</a></span>MMFF94TorsionParameters()</h2>
  
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444 ··</td>444 ··</td>
445 ··<td·class="mlabels-right">445 ··<td·class="mlabels-right">
446 <span·class="mlabels"><span·class="mlabel">mutable</span><span·class="mlabel">protected</span></span>··</td>446 <span·class="mlabels"><span·class="mlabel">mutable</span><span·class="mlabel">protected</span></span>··</td>
447 ··</tr>447 ··</tr>
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455 <div·class="memitem">455 <div·class="memitem">
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468 ··</td>468 ··</td>
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492 ··</td>492 ··</td>
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499 </div>499 </div>
500 </div>500 </div>
501 <a·id="aec74ddc97d25f7eb38f18600c7a15e6c"·name="aec74ddc97d25f7eb38f18600c7a15e6c"></a>501 <a·id="aec74ddc97d25f7eb38f18600c7a15e6c"·name="aec74ddc97d25f7eb38f18600c7a15e6c"></a>
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518 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>518 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
519 ··</tr>519 ··</tr>
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522 <p>parameters·</p>522 <p>parameters·</p>
  
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61 </div>61 </div>
  
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 64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li><li·class="navelem"><a·class="el"·href="../../dir_6ac6220cac5eaca96612654e61f12e3a.html">BONDORDERS</a></li>··</ul>
 65 </div>
62 </div><!--·top·-->66 </div><!--·top·-->
63 <div·class="header">67 <div·class="header">
 68 ··<div·class="summary">
 69 <a·href="#nested-classes">Classes</a>·&#124;
 70 <a·href="#namespaces">Namespaces</a>··</div>
64 ··<div·class="headertitle"><div·class="title">xray.doc·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">partialBondOrderAssignment.h·File·Reference</div></div>
65 </div><!--header-->72 </div><!--header-->
66 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/>
 78 <code>#include·&lt;vector&gt;</code><br·/>
 79 </div>
 80 <p><a·href="../../d6/d15/a01697_source.html">Go·to·the·source·code·of·this·file.</a></p>
 81 <table·class="memberdecls">
 82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
 83 Classes</h2></td></tr>
 84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dc7/a06818.html">BALL::PartialBondOrderAssignment</a></td></tr>
 85 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">A·full·or·partial·solution·to·the·AStar-based·bond·order·assignment·problem.··<a·href="../../db/dc7/a06818.html#details">More...</a><br·/></td></tr>
 86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 87 </table><table·class="memberdecls">
 88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
 89 Namespaces</h2></td></tr>
 90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
 91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 92 </table>
67 </div><!--·contents·-->93 </div><!--·contents·-->
68 <!--·start·footer·part·-->94 <!--·start·footer·part·-->
69 <hr·class="footer"/><address·class="footer"><small>95 <hr·class="footer"/><address·class="footer"><small>
70 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.496 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d9/dc9/a03347.html">List·of·all·members</a>··</div>70 <a·href="../../d9/dc9/a03347.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::NamedProperty·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::NamedProperty·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../db/d95/a01637_source.html">BALL/CONCEPT/property.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../da/db8/a00797_source.html">BALL/CONCEPT/property.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::NamedProperty:</div>76 Inheritance·diagram·for·BALL::NamedProperty:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d6/d18/a03350.png"·usemap="#BALL::NamedProperty_map"·alt=""/>79 ··<img·src="../../d6/d18/a03350.png"·usemap="#BALL::NamedProperty_map"·alt=""/>
80 ··<map·id="BALL::NamedProperty_map"·name="BALL::NamedProperty_map">80 ··<map·id="BALL::NamedProperty_map"·name="BALL::NamedProperty_map">
81 <area·href="../../da/d6e/a03314.html"·alt="BALL::PersistentObject"·shape="rect"·coords="0,112,141,136"/>81 <area·href="../../da/d6e/a03314.html"·alt="BALL::PersistentObject"·shape="rect"·coords="0,112,141,136"/>
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245 <tr·class="separator:a8270b7deb227a22296f0b2f6b3e3ee5e·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>245 <tr·class="separator:a8270b7deb227a22296f0b2f6b3e3ee5e·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
246 <tr·class="memitem:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html#a345d52e6c41aed91ec149e74a63e22bc">AutoDeletable</a>·(const·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·&amp;auto_deletable,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·deep=false)</td></tr>246 <tr·class="memitem:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html#a345d52e6c41aed91ec149e74a63e22bc">AutoDeletable</a>·(const·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·&amp;auto_deletable,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·deep=false)</td></tr>
247 <tr·class="separator:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>247 <tr·class="separator:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
248 </table>248 </table>
249 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>249 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
250 <div·class="textblock"><p·>Named·Property·Class.·</p>250 <div·class="textblock"><p·>Named·Property·Class.·</p>
  
251 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d95/a01637_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../db/d95/a01637_source.html">property.h</a>.</p>251 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/db8/a00797_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../da/db8/a00797_source.html">property.h</a>.</p>
252 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>252 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
253 <a·id="a6c1c545a19dfb73abdc308457bc406a6"·name="a6c1c545a19dfb73abdc308457bc406a6"></a>253 <a·id="a6c1c545a19dfb73abdc308457bc406a6"·name="a6c1c545a19dfb73abdc308457bc406a6"></a>
254 <h2·class="memtitle"><span·class="permalink"><a·href="#a6c1c545a19dfb73abdc308457bc406a6">&#9670;&nbsp;</a></span>Type</h2>254 <h2·class="memtitle"><span·class="permalink"><a·href="#a6c1c545a19dfb73abdc308457bc406a6">&#9670;&nbsp;</a></span>Type</h2>
  
255 <div·class="memitem">255 <div·class="memitem">
256 <div·class="memproto">256 <div·class="memproto">
257 ······<table·class="memname">257 ······<table·class="memname">
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280 </td></tr>280 </td></tr>
281 <tr><td·class="fieldname"><a·id="a6c1c545a19dfb73abdc308457bc406a6a29d54927d365abafe0360d84c2454ca2"·name="a6c1c545a19dfb73abdc308457bc406a6a29d54927d365abafe0360d84c2454ca2"></a>NONE&#160;</td><td·class="fielddoc"><p·>Properties·of·this·type·do·not·contain·any·data.·Use·this·type·to·indicate·that·an·object·has·a·certain·property.·The·type·can·be·seen·as·an·extension·of·the·bit·properties·used·in·<a·class="el"·href="../../d3/d67/a03354.html">PropertyManager</a>·except·for·the·user-defined·name.·</p>281 <tr><td·class="fieldname"><a·id="a6c1c545a19dfb73abdc308457bc406a6a29d54927d365abafe0360d84c2454ca2"·name="a6c1c545a19dfb73abdc308457bc406a6a29d54927d365abafe0360d84c2454ca2"></a>NONE&#160;</td><td·class="fielddoc"><p·>Properties·of·this·type·do·not·contain·any·data.·Use·this·type·to·indicate·that·an·object·has·a·certain·property.·The·type·can·be·seen·as·an·extension·of·the·bit·properties·used·in·<a·class="el"·href="../../d3/d67/a03354.html">PropertyManager</a>·except·for·the·user-defined·name.·</p>
282 </td></tr>282 </td></tr>
283 <tr><td·class="fieldname"><a·id="a6c1c545a19dfb73abdc308457bc406a6ab0c15fc4c4a168810bb991dc1dc4da2d"·name="a6c1c545a19dfb73abdc308457bc406a6ab0c15fc4c4a168810bb991dc1dc4da2d"></a>SMART_OBJECT&#160;</td><td·class="fielddoc"><p·>Object-type·properties·contain·a·smart·pointer·to·a·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>.·Here,·destruction·will·autmatically·be·handled·by·the·smart·pointer·implementation.·</p>283 <tr><td·class="fieldname"><a·id="a6c1c545a19dfb73abdc308457bc406a6ab0c15fc4c4a168810bb991dc1dc4da2d"·name="a6c1c545a19dfb73abdc308457bc406a6ab0c15fc4c4a168810bb991dc1dc4da2d"></a>SMART_OBJECT&#160;</td><td·class="fielddoc"><p·>Object-type·properties·contain·a·smart·pointer·to·a·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>.·Here,·destruction·will·autmatically·be·handled·by·the·smart·pointer·implementation.·</p>
284 </td></tr>284 </td></tr>
285 </table>285 </table>
  
286 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d95/a01637_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../db/d95/a01637_source.html">property.h</a>.</p>286 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/db8/a00797_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../da/db8/a00797_source.html">property.h</a>.</p>
  
287 </div>287 </div>
288 </div>288 </div>
289 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>289 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
290 <a·id="ac01c5af4bfa69fe159b765e2b72997f5"·name="ac01c5af4bfa69fe159b765e2b72997f5"></a>290 <a·id="ac01c5af4bfa69fe159b765e2b72997f5"·name="ac01c5af4bfa69fe159b765e2b72997f5"></a>
291 <h2·class="memtitle"><span·class="permalink"><a·href="#ac01c5af4bfa69fe159b765e2b72997f5">&#9670;&nbsp;</a></span>NamedProperty()·<span·class="overload">[1/12]</span></h2>291 <h2·class="memtitle"><span·class="permalink"><a·href="#ac01c5af4bfa69fe159b765e2b72997f5">&#9670;&nbsp;</a></span>NamedProperty()·<span·class="overload">[1/12]</span></h2>
  
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71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
73 <a·href="../../d0/df3/a08087.html">List·of·all·members</a>··</div>73 <a·href="../../d0/df3/a08087.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MoleculeColorProcessor·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MoleculeColorProcessor·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d1/d35/a01184_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::VIEW::MoleculeColorProcessor:</div>79 Inheritance·diagram·for·BALL::VIEW::MoleculeColorProcessor:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d6/d18/a08090.png"·usemap="#BALL::VIEW::MoleculeColorProcessor_map"·alt=""/>82 ··<img·src="../../d6/d18/a08090.png"·usemap="#BALL::VIEW::MoleculeColorProcessor_map"·alt=""/>
83 ··<map·id="BALL::VIEW::MoleculeColorProcessor_map"·name="BALL::VIEW::MoleculeColorProcessor_map">83 ··<map·id="BALL::VIEW::MoleculeColorProcessor_map"·name="BALL::VIEW::MoleculeColorProcessor_map">
84 <area·href="../../de/de3/a08082.html"·alt="BALL::VIEW::PositionColorProcessor"·shape="rect"·coords="0,168,364,192"/>84 <area·href="../../de/de3/a08082.html"·alt="BALL::VIEW::PositionColorProcessor"·shape="rect"·coords="0,168,364,192"/>
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245 <tr·class="memitem:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·*·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#aca8cefb33c4b6745e085cd5b908528b1">argument_pointer</a></td></tr>245 <tr·class="memitem:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·*·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#aca8cefb33c4b6745e085cd5b908528b1">argument_pointer</a></td></tr>
246 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>246 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
247 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·*·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>247 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·*·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
248 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>248 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
249 </table>249 </table>
250 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>250 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
251 <div·class="textblock">251 <div·class="textblock">
252 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00193">193</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>252 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00193">193</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
253 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>253 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
254 <a·id="a4d4ac1e39229117a16b5ec86288b9434"·name="a4d4ac1e39229117a16b5ec86288b9434"></a>254 <a·id="a4d4ac1e39229117a16b5ec86288b9434"·name="a4d4ac1e39229117a16b5ec86288b9434"></a>
255 <h2·class="memtitle"><span·class="permalink"><a·href="#a4d4ac1e39229117a16b5ec86288b9434">&#9670;&nbsp;</a></span>MoleculeColorProcessor()</h2>255 <h2·class="memtitle"><span·class="permalink"><a·href="#a4d4ac1e39229117a16b5ec86288b9434">&#9670;&nbsp;</a></span>MoleculeColorProcessor()</h2>
  
256 <div·class="memitem">256 <div·class="memitem">
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258 ······<table·class="memname">258 ······<table·class="memname">
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319 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">protected</span><span·class="mlabel">virtual</span></span>··</td>319 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">protected</span><span·class="mlabel">virtual</span></span>··</td>
320 ··</tr>320 ··</tr>
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323 <p>Reimplemented·from·<a·class="el"·href="../../de/de3/a08082.html#a4df8dc63db7666f8d4c52d1a13415b98">BALL::VIEW::PositionColorProcessor</a>.</p>323 <p>Reimplemented·from·<a·class="el"·href="../../de/de3/a08082.html#a4df8dc63db7666f8d4c52d1a13415b98">BALL::VIEW::PositionColorProcessor</a>.</p>
  
324 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00205">205</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>324 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00205">205</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
325 </div>325 </div>
326 </div>326 </div>
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328 <h2·class="memtitle"><span·class="permalink"><a·href="#a2a95ec5d5cd2f5d18a677ac87182ef78">&#9670;&nbsp;</a></span>isOK_()</h2>328 <h2·class="memtitle"><span·class="permalink"><a·href="#a2a95ec5d5cd2f5d18a677ac87182ef78">&#9670;&nbsp;</a></span>isOK_()</h2>
  
329 <div·class="memitem">329 <div·class="memitem">
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349 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">protected</span><span·class="mlabel">virtual</span></span>··</td>349 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">protected</span><span·class="mlabel">virtual</span></span>··</td>
350 ··</tr>350 ··</tr>
351 </table>351 </table>
352 </div><div·class="memdoc">352 </div><div·class="memdoc">
  
353 <p>Reimplemented·from·<a·class="el"·href="../../de/de3/a08082.html#ad495e3c1cfb9735754566c3d007ae9e7">BALL::VIEW::PositionColorProcessor</a>.</p>353 <p>Reimplemented·from·<a·class="el"·href="../../de/de3/a08082.html#ad495e3c1cfb9735754566c3d007ae9e7">BALL::VIEW::PositionColorProcessor</a>.</p>
  
354 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00208">208</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>354 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00208">208</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
355 </div>355 </div>
356 </div>356 </div>
357 <h2·class="groupheader">Member·Data·Documentation</h2>357 <h2·class="groupheader">Member·Data·Documentation</h2>
358 <a·id="a3a1d91c7373c1c5157af5844924151f8"·name="a3a1d91c7373c1c5157af5844924151f8"></a>358 <a·id="a3a1d91c7373c1c5157af5844924151f8"·name="a3a1d91c7373c1c5157af5844924151f8"></a>
359 <h2·class="memtitle"><span·class="permalink"><a·href="#a3a1d91c7373c1c5157af5844924151f8">&#9670;&nbsp;</a></span>dummy_molecule_</h2>359 <h2·class="memtitle"><span·class="permalink"><a·href="#a3a1d91c7373c1c5157af5844924151f8">&#9670;&nbsp;</a></span>dummy_molecule_</h2>
  
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374 ··</td>374 ··</td>
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376 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>376 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
377 ··</tr>377 ··</tr>
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380 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00211">211</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>380 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00211">211</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c7a6b3e443e6f200d85971bee20841b.html">GENETICDOCK</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
 71 <a·href="#typedef-members">Typedefs</a>··</div>
71 ··<div·class="headertitle"><div·class="title">rotateBonds.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">fragmentIterator.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d7e/a00530_source.html">BALL/KERNEL/iterator.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d9/d7d/a01880_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../dd/d4e/a00329_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/predicate.h</a>&gt;</code><br·/>
78 <code>#include·&lt;<a·class="el"·href="../../db/d44/a00533_source.html">BALL/DOCKING/COMMON/staticLigandFragment.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../dc/d6e/a00833_source.html">BALL/CONCEPT/stdIteratorWrapper.h</a>&gt;</code><br·/>
79 <code>#include·&lt;vector&gt;</code><br·/> 
80 </div>78 </div>
81 <p><a·href="../../d6/d1a/a00485_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d6/d1a/a00485_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls">80 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
84 Classes</h2></td></tr>82 Classes</h2></td></tr>
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d38/a03786.html">BALL::RotateBonds</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d4a/a04530.html">BALL::FragmentIteratorTraits</a></td></tr>
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89 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
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 93 <tr·class="memitem:a0e38185a8210c8ec94d6d9adbde7ad03"><td·class="memItemLeft"·align="right"·valign="top">typedef·BidirectionalIterator&lt;·Composite,·Fragment,·Composite::CompositeIterator,·FragmentIteratorTraits·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a0e38185a8210c8ec94d6d9adbde7ad03">BALL::FragmentIterator</a></td></tr>
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 95 <tr·class="memitem:a6f583860c6d88e71438504d3d8ae7a02"><td·class="memItemLeft"·align="right"·valign="top">typedef·ConstBidirectionalIterator&lt;·Composite,·Fragment,·Composite::CompositeIterator,·FragmentIteratorTraits·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a6f583860c6d88e71438504d3d8ae7a02">BALL::FragmentConstIterator</a></td></tr>
 96 <tr·class="separator:a6f583860c6d88e71438504d3d8ae7a02"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 <tr·class="memitem:a692d2ab81c5ab37ab94aad8db63d16f6"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·FragmentIterator·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a692d2ab81c5ab37ab94aad8db63d16f6">BALL::FragmentReverseIterator</a></td></tr>
 98 <tr·class="separator:a692d2ab81c5ab37ab94aad8db63d16f6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 99 <tr·class="memitem:a722d8297376d371b6f6e93a883f8d40a"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·FragmentConstIterator·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a722d8297376d371b6f6e93a883f8d40a">BALL::FragmentConstReverseIterator</a></td></tr>
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71 ··<div·class="headertitle"><div·class="title">BALL::ConstBinaryProcessor&lt;·T1,·T2·&gt;·Class·Template·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::ConstBinaryProcessor&lt;·T1,·T2·&gt;·Class·Template·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::ConstBinaryProcessor&lt;·T1,·T2·&gt;:</div>76 Inheritance·diagram·for·BALL::ConstBinaryProcessor&lt;·T1,·T2·&gt;:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
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122 <tr·class="memitem:a0f977c8d9e7b181a901b7f5747c43c07·inherit·pub_types_a03214"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·T2·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dd5/a03214.html#a0f977c8d9e7b181a901b7f5747c43c07">const_second_argument_pointer</a></td></tr>122 <tr·class="memitem:a0f977c8d9e7b181a901b7f5747c43c07·inherit·pub_types_a03214"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·T2·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dd5/a03214.html#a0f977c8d9e7b181a901b7f5747c43c07">const_second_argument_pointer</a></td></tr>
123 <tr·class="separator:a0f977c8d9e7b181a901b7f5747c43c07·inherit·pub_types_a03214"><td·class="memSeparator"·colspan="2">&#160;</td></tr>123 <tr·class="separator:a0f977c8d9e7b181a901b7f5747c43c07·inherit·pub_types_a03214"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
124 </table>124 </table>
125 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>125 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
126 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T1,·typename·T2&gt;<br·/>126 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T1,·typename·T2&gt;<br·/>
127 class·BALL::ConstBinaryProcessor&lt;·T1,·T2·&gt;</div>127 class·BALL::ConstBinaryProcessor&lt;·T1,·T2·&gt;</div>
128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00205">205</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">processor.h</a>.</p>128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00205">205</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
129 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>129 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
130 <a·id="a5d2ea44213fe53fa1ca10ab912e3c29e"·name="a5d2ea44213fe53fa1ca10ab912e3c29e"></a>130 <a·id="a5d2ea44213fe53fa1ca10ab912e3c29e"·name="a5d2ea44213fe53fa1ca10ab912e3c29e"></a>
131 <h2·class="memtitle"><span·class="permalink"><a·href="#a5d2ea44213fe53fa1ca10ab912e3c29e">&#9670;&nbsp;</a></span>~ConstBinaryProcessor()</h2>131 <h2·class="memtitle"><span·class="permalink"><a·href="#a5d2ea44213fe53fa1ca10ab912e3c29e">&#9670;&nbsp;</a></span>~ConstBinaryProcessor()</h2>
  
132 <div·class="memitem">132 <div·class="memitem">
133 <div·class="memproto">133 <div·class="memproto">
134 <div·class="memtemplate">134 <div·class="memtemplate">
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149 ··<td·class="mlabels-right">149 ··<td·class="mlabels-right">
150 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>150 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
151 ··</tr>151 ··</tr>
152 </table>152 </table>
153 </div><div·class="memdoc">153 </div><div·class="memdoc">
154 <p·>Destructor·</p>154 <p·>Destructor·</p>
  
155 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00217">217</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">processor.h</a>.</p>155 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00217">217</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
  
156 </div>156 </div>
157 </div>157 </div>
158 <h2·class="groupheader">Member·Function·Documentation</h2>158 <h2·class="groupheader">Member·Function·Documentation</h2>
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160 <h2·class="memtitle"><span·class="permalink"><a·href="#a19009e64df473db327d0a8a0c8c3084d">&#9670;&nbsp;</a></span>finish()</h2>160 <h2·class="memtitle"><span·class="permalink"><a·href="#a19009e64df473db327d0a8a0c8c3084d">&#9670;&nbsp;</a></span>finish()</h2>
  
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180 ··<td·class="mlabels-right">180 ··<td·class="mlabels-right">
181 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>181 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
182 ··</tr>182 ··</tr>
183 </table>183 </table>
184 </div><div·class="memdoc">184 </div><div·class="memdoc">
185 <p·>finish·method·</p>185 <p·>finish·method·</p>
  
186 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00235">235</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">processor.h</a>.</p>186 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00235">235</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
  
187 </div>187 </div>
188 </div>188 </div>
189 <a·id="a1c002d65f52312d825f027a9a9510538"·name="a1c002d65f52312d825f027a9a9510538"></a>189 <a·id="a1c002d65f52312d825f027a9a9510538"·name="a1c002d65f52312d825f027a9a9510538"></a>
190 <h2·class="memtitle"><span·class="permalink"><a·href="#a1c002d65f52312d825f027a9a9510538">&#9670;&nbsp;</a></span>operator()()</h2>190 <h2·class="memtitle"><span·class="permalink"><a·href="#a1c002d65f52312d825f027a9a9510538">&#9670;&nbsp;</a></span>operator()()</h2>
  
191 <div·class="memitem">191 <div·class="memitem">
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223 ··</tr>223 ··</tr>
224 </table>224 </table>
225 </div><div·class="memdoc">225 </div><div·class="memdoc">
226 <p·>operator·()·</p>226 <p·>operator·()·</p>
  
227 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00242">242</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">processor.h</a>.</p>227 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00242">242</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
  
228 </div>228 </div>
229 </div>229 </div>
230 <a·id="a87853393720debba1fac1be9e239dc49"·name="a87853393720debba1fac1be9e239dc49"></a>230 <a·id="a87853393720debba1fac1be9e239dc49"·name="a87853393720debba1fac1be9e239dc49"></a>
231 <h2·class="memtitle"><span·class="permalink"><a·href="#a87853393720debba1fac1be9e239dc49">&#9670;&nbsp;</a></span>start()</h2>231 <h2·class="memtitle"><span·class="permalink"><a·href="#a87853393720debba1fac1be9e239dc49">&#9670;&nbsp;</a></span>start()</h2>
  
232 <div·class="memitem">232 <div·class="memitem">
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253 ··</tr>253 ··</tr>
254 </table>254 </table>
255 </div><div·class="memdoc">255 </div><div·class="memdoc">
256 <p·>start·method·</p>256 <p·>start·method·</p>
  
257 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00228">228</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">processor.h</a>.</p>257 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00228">228</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
  
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">diffGridBasedScoring.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">function.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/da9/a00263_source.html">BALL/SCORING/COMMON/gridBasedScoring.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../dc/d2c/a00893_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/> 
76 </div>75 </div>
77 <p><a·href="../../d6/d22/a00245_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d6/d22/a00245_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">77 <table·class="memberdecls">
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80 Classes</h2></td></tr>79 Classes</h2></td></tr>
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 95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/de3/a04854.html">BALL::CubicFunction&lt;·Function,·DataType·&gt;</a></td></tr>
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 98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d14/a04858.html">BALL::MutablePower&lt;·Function,·DataType·&gt;</a></td></tr>
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87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RunPythonThread·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RunPythonThread·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../da/dd5/a01580_source.html">BALL/VIEW/WIDGETS/pyWidget.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d9/d5b/a01127_source.html">BALL/VIEW/WIDGETS/pyWidget.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::RunPythonThread:</div>78 Inheritance·diagram·for·BALL::VIEW::RunPythonThread:</div>
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81 ··<img·src="../../d6/d22/a08506.png"·usemap="#BALL::VIEW::RunPythonThread_map"·alt=""/>81 ··<img·src="../../d6/d22/a08506.png"·usemap="#BALL::VIEW::RunPythonThread_map"·alt=""/>
82 ··<map·id="BALL::VIEW::RunPythonThread_map"·name="BALL::VIEW::RunPythonThread_map">82 ··<map·id="BALL::VIEW::RunPythonThread_map"·name="BALL::VIEW::RunPythonThread_map">
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101 <tr·class="memitem:a01be788da9b20261104890fc5ba87dea"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d22/a08506.html#a01be788da9b20261104890fc5ba87dea">output</a></td></tr>101 <tr·class="memitem:a01be788da9b20261104890fc5ba87dea"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d22/a08506.html#a01be788da9b20261104890fc5ba87dea">output</a></td></tr>
102 <tr·class="separator:a01be788da9b20261104890fc5ba87dea"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:a01be788da9b20261104890fc5ba87dea"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 </table>103 </table>
104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
105 <div·class="textblock">105 <div·class="textblock">
106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00086">86</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">pyWidget.h</a>.</p>106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00086">86</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">pyWidget.h</a>.</p>
107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
108 <a·id="a69f0bc294b9886b23d59636c45091786"·name="a69f0bc294b9886b23d59636c45091786"></a>108 <a·id="a69f0bc294b9886b23d59636c45091786"·name="a69f0bc294b9886b23d59636c45091786"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#a69f0bc294b9886b23d59636c45091786">&#9670;&nbsp;</a></span>RunPythonThread()</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#a69f0bc294b9886b23d59636c45091786">&#9670;&nbsp;</a></span>RunPythonThread()</h2>
  
110 <div·class="memitem">110 <div·class="memitem">
111 <div·class="memproto">111 <div·class="memproto">
112 ······<table·class="memname">112 ······<table·class="memname">
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158 ········<tr>158 ········<tr>
159 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::VIEW::RunPythonThread::input</td>159 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::VIEW::RunPythonThread::input</td>
160 ········</tr>160 ········</tr>
161 ······</table>161 ······</table>
162 </div><div·class="memdoc">162 </div><div·class="memdoc">
  
163 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">pyWidget.h</a>.</p>163 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">pyWidget.h</a>.</p>
  
164 </div>164 </div>
165 </div>165 </div>
166 <a·id="a01be788da9b20261104890fc5ba87dea"·name="a01be788da9b20261104890fc5ba87dea"></a>166 <a·id="a01be788da9b20261104890fc5ba87dea"·name="a01be788da9b20261104890fc5ba87dea"></a>
167 <h2·class="memtitle"><span·class="permalink"><a·href="#a01be788da9b20261104890fc5ba87dea">&#9670;&nbsp;</a></span>output</h2>167 <h2·class="memtitle"><span·class="permalink"><a·href="#a01be788da9b20261104890fc5ba87dea">&#9670;&nbsp;</a></span>output</h2>
  
168 <div·class="memitem">168 <div·class="memitem">
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174 ········<tr>174 ········<tr>
175 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::VIEW::RunPythonThread::output</td>175 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::VIEW::RunPythonThread::output</td>
176 ········</tr>176 ········</tr>
177 ······</table>177 ······</table>
178 </div><div·class="memdoc">178 </div><div·class="memdoc">
  
179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00097">97</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">pyWidget.h</a>.</p>179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00097">97</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">pyWidget.h</a>.</p>
  
180 </div>180 </div>
181 </div>181 </div>
182 <a·id="a6939adeef8ea4cb08919906ea8693741"·name="a6939adeef8ea4cb08919906ea8693741"></a>182 <a·id="a6939adeef8ea4cb08919906ea8693741"·name="a6939adeef8ea4cb08919906ea8693741"></a>
183 <h2·class="memtitle"><span·class="permalink"><a·href="#a6939adeef8ea4cb08919906ea8693741">&#9670;&nbsp;</a></span>state</h2>183 <h2·class="memtitle"><span·class="permalink"><a·href="#a6939adeef8ea4cb08919906ea8693741">&#9670;&nbsp;</a></span>state</h2>
  
184 <div·class="memitem">184 <div·class="memitem">
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189 ······<table·class="memname">189 ······<table·class="memname">
190 ········<tr>190 ········<tr>
191 ··········<td·class="memname"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>·BALL::VIEW::RunPythonThread::state</td>191 ··········<td·class="memname"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>·BALL::VIEW::RunPythonThread::state</td>
192 ········</tr>192 ········</tr>
193 ······</table>193 ······</table>
194 </div><div·class="memdoc">194 </div><div·class="memdoc">
  
195 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">pyWidget.h</a>.</p>195 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">pyWidget.h</a>.</p>
  
196 </div>196 </div>
197 </div>197 </div>
198 </div><!--·contents·-->198 </div><!--·contents·-->
199 <!--·start·footer·part·-->199 <!--·start·footer·part·-->
200 <hr·class="footer"/><address·class="footer"><small>200 <hr·class="footer"/><address·class="footer"><small>
201 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4201 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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8 <title>BALL:·solventParameter.h·File·Reference</title>8 <title>BALL:·rotamerLibrary.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">solventParameter.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">rotamerLibrary.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d9d/a01760_source.html">BALL/SOLVATION/solventDescriptor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d9a/a01715_source.html">BALL/STRUCTURE/fragmentDB.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../df/d98/a00107_source.html">BALL/FORMAT/parameters.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d3/d00/a00113_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../da/d66/a01856_source.html">BALL/STRUCTURE/residueRotamerSet.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../dd/d7e/a00809_source.html">BALL/MOLMEC/PARAMETER/forceFieldParameters.h</a>&gt;</code><br·/>76 <code>#include·&lt;BALL/DATATYPE/hasMap.h&gt;</code><br·/>
78 </div>77 </div>
79 <p><a·href="../../d6/d27/a01781_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d6/d27/a01781_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">79 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>81 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/df4/a06614.html">BALL::SolventParameter</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dff/a07114.html">BALL::RotamerLibrary</a></td></tr>
 83 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d3/d86/a07078.html">Rotamer</a>·Library·Class.··<a·href="../../d4/dff/a07114.html#details">More...</a><br·/></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table><table·class="memberdecls">85 </table><table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
87 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../da/d9e/a03059.html">List·of·all·members</a>··</div>72 <a·href="../../da/d9e/a03059.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::Exception::IndexOverflow·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::Exception::IndexOverflow·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::Exception::IndexOverflow:</div>78 Inheritance·diagram·for·BALL::Exception::IndexOverflow:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d6/d2a/a03062.png"·usemap="#BALL::Exception::IndexOverflow_map"·alt=""/>81 ··<img·src="../../d6/d2a/a03062.png"·usemap="#BALL::Exception::IndexOverflow_map"·alt=""/>
82 ··<map·id="BALL::Exception::IndexOverflow_map"·name="BALL::Exception::IndexOverflow_map">82 ··<map·id="BALL::Exception::IndexOverflow_map"·name="BALL::Exception::IndexOverflow_map">
83 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>83 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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142 ··<table·class="params">142 ··<table·class="params">
143 ····<tr><td·class="paramname">index</td><td>the·value·of·the·index·causing·the·problem·</td></tr>143 ····<tr><td·class="paramname">index</td><td>the·value·of·the·index·causing·the·problem·</td></tr>
144 ····<tr><td·class="paramname">size</td><td>largest·value·allowed·for·index·</td></tr>144 ····<tr><td·class="paramname">size</td><td>largest·value·allowed·for·index·</td></tr>
145 ··</table>145 ··</table>
146 ··</dd>146 ··</dd>
147 </dl>147 </dl>
  
148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00162">162</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00162">162</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
149 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>149 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
150 <a·id="a083222a94f90ffd59f8ce0f7c898f1e6"·name="a083222a94f90ffd59f8ce0f7c898f1e6"></a>150 <a·id="a083222a94f90ffd59f8ce0f7c898f1e6"·name="a083222a94f90ffd59f8ce0f7c898f1e6"></a>
151 <h2·class="memtitle"><span·class="permalink"><a·href="#a083222a94f90ffd59f8ce0f7c898f1e6">&#9670;&nbsp;</a></span>IndexOverflow()</h2>151 <h2·class="memtitle"><span·class="permalink"><a·href="#a083222a94f90ffd59f8ce0f7c898f1e6">&#9670;&nbsp;</a></span>IndexOverflow()</h2>
  
152 <div·class="memitem">152 <div·class="memitem">
153 <div·class="memproto">153 <div·class="memproto">
154 ······<table·class="memname">154 ······<table·class="memname">
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205 ··</td>205 ··</td>
206 ··<td·class="mlabels-right">206 ··<td·class="mlabels-right">
207 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>207 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
208 ··</tr>208 ··</tr>
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78 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/> 
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d1/d10/a06147.html">List·of·all·members</a>··</div>71 <a·href="../../d1/d10/a06147.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::LinearBaseFunction·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::LinearBaseFunction·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d35/a00266_source.html">BALL/SCORING/COMMON/linearBaseFunction.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d2/d3d/a01982_source.html">BALL/SCORING/COMMON/linearBaseFunction.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::LinearBaseFunction:</div>77 Inheritance·diagram·for·BALL::LinearBaseFunction:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d6/d30/a06150.png"·usemap="#BALL::LinearBaseFunction_map"·alt=""/>80 ··<img·src="../../d6/d30/a06150.png"·usemap="#BALL::LinearBaseFunction_map"·alt=""/>
81 ··<map·id="BALL::LinearBaseFunction_map"·name="BALL::LinearBaseFunction_map">81 ··<map·id="BALL::LinearBaseFunction_map"·name="BALL::LinearBaseFunction_map">
82 <area·href="../../df/d58/a06118.html"·alt="BALL::ScoringBaseFunction"·shape="rect"·coords="0,0,170,24"/>82 <area·href="../../df/d58/a06118.html"·alt="BALL::ScoringBaseFunction"·shape="rect"·coords="0,0,170,24"/>
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122 <tr·class="separator:adab8355ca21367a8cd1d5a9d90340e12·inherit·pro_attribs_a06118"><td·class="memSeparator"·colspan="2">&#160;</td></tr>122 <tr·class="separator:adab8355ca21367a8cd1d5a9d90340e12·inherit·pro_attribs_a06118"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
123 <tr·class="memitem:af4424697aecfa637e161b6e60776960a·inherit·pro_attribs_a06118"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d58/a06118.html#af4424697aecfa637e161b6e60776960a">upper_</a></td></tr>123 <tr·class="memitem:af4424697aecfa637e161b6e60776960a·inherit·pro_attribs_a06118"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d58/a06118.html#af4424697aecfa637e161b6e60776960a">upper_</a></td></tr>
124 <tr·class="separator:af4424697aecfa637e161b6e60776960a·inherit·pro_attribs_a06118"><td·class="memSeparator"·colspan="2">&#160;</td></tr>124 <tr·class="separator:af4424697aecfa637e161b6e60776960a·inherit·pro_attribs_a06118"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
125 </table>125 </table>
126 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>126 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
127 <div·class="textblock"><p·>Linear·base·function·</p>127 <div·class="textblock"><p·>Linear·base·function·</p>
  
128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d35/a00266_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../d5/d35/a00266_source.html">linearBaseFunction.h</a>.</p>128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d3d/a01982_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../d2/d3d/a01982_source.html">linearBaseFunction.h</a>.</p>
129 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>129 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
130 <a·id="a7b9a546442dcc5ca2d615f4c8069898b"·name="a7b9a546442dcc5ca2d615f4c8069898b"></a>130 <a·id="a7b9a546442dcc5ca2d615f4c8069898b"·name="a7b9a546442dcc5ca2d615f4c8069898b"></a>
131 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b9a546442dcc5ca2d615f4c8069898b">&#9670;&nbsp;</a></span>LinearBaseFunction()·<span·class="overload">[1/2]</span></h2>131 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b9a546442dcc5ca2d615f4c8069898b">&#9670;&nbsp;</a></span>LinearBaseFunction()·<span·class="overload">[1/2]</span></h2>
  
132 <div·class="memitem">132 <div·class="memitem">
133 <div·class="memproto">133 <div·class="memproto">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d8/d45/a06251.html">List·of·all·members</a>··</div>71 <a·href="../../d8/d45/a06251.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::CHPISlick::CHGroup·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::CHPISlick::CHGroup·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/db1/a00200_source.html">BALL/SCORING/COMPONENTS/CHPISlick.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/deb/a02090_source.html">BALL/SCORING/COMPONENTS/CHPISlick.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:a3a2963cbb362f4589ab78b3272b735a1"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3a/a06254.html#a3a2963cbb362f4589ab78b3272b735a1">CHGroup</a>·()</td></tr>79 <tr·class="memitem:a3a2963cbb362f4589ab78b3272b735a1"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3a/a06254.html#a3a2963cbb362f4589ab78b3272b735a1">CHGroup</a>·()</td></tr>
80 <tr·class="separator:a3a2963cbb362f4589ab78b3272b735a1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a3a2963cbb362f4589ab78b3272b735a1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a5058e70af8b4d8108e3af79810563d2d"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3a/a06254.html#a5058e70af8b4d8108e3af79810563d2d">~CHGroup</a>·()</td></tr>81 <tr·class="memitem:a5058e70af8b4d8108e3af79810563d2d"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3a/a06254.html#a5058e70af8b4d8108e3af79810563d2d">~CHGroup</a>·()</td></tr>
82 <tr·class="separator:a5058e70af8b4d8108e3af79810563d2d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a5058e70af8b4d8108e3af79810563d2d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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97 <tr·class="separator:a98c7eff24a20f4df61dacb03449548cd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:a98c7eff24a20f4df61dacb03449548cd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 <tr·class="memitem:a47059722a1665354fa55fc91def85a0d"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3a/a06254.html#a47059722a1665354fa55fc91def85a0d">dump</a>·(std::ostream·&amp;s=std::cout)·const</td></tr>98 <tr·class="memitem:a47059722a1665354fa55fc91def85a0d"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3a/a06254.html#a47059722a1665354fa55fc91def85a0d">dump</a>·(std::ostream·&amp;s=std::cout)·const</td></tr>
99 <tr·class="separator:a47059722a1665354fa55fc91def85a0d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:a47059722a1665354fa55fc91def85a0d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 </table>100 </table>
101 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>101 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
102 <div·class="textblock"><p·>A·class·for·storing·aliphatic·CH·groups·suitable·for·building·CH-\pi·interactions·with·aromatic·rings.·</p>102 <div·class="textblock"><p·>A·class·for·storing·aliphatic·CH·groups·suitable·for·building·CH-\pi·interactions·with·aromatic·rings.·</p>
  
103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/db1/a00200_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../d3/db1/a00200_source.html">CHPISlick.h</a>.</p>103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/deb/a02090_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../d7/deb/a02090_source.html">CHPISlick.h</a>.</p>
104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
105 <a·id="a3a2963cbb362f4589ab78b3272b735a1"·name="a3a2963cbb362f4589ab78b3272b735a1"></a>105 <a·id="a3a2963cbb362f4589ab78b3272b735a1"·name="a3a2963cbb362f4589ab78b3272b735a1"></a>
106 <h2·class="memtitle"><span·class="permalink"><a·href="#a3a2963cbb362f4589ab78b3272b735a1">&#9670;&nbsp;</a></span>CHGroup()·<span·class="overload">[1/3]</span></h2>106 <h2·class="memtitle"><span·class="permalink"><a·href="#a3a2963cbb362f4589ab78b3272b735a1">&#9670;&nbsp;</a></span>CHGroup()·<span·class="overload">[1/3]</span></h2>
  
107 <div·class="memitem">107 <div·class="memitem">
108 <div·class="memproto">108 <div·class="memproto">
109 ······<table·class="memname">109 ······<table·class="memname">
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221 ··</td>221 ··</td>
222 ··<td·class="mlabels-right">222 ··<td·class="mlabels-right">
223 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>223 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
224 ··</tr>224 ··</tr>
225 </table>225 </table>
226 </div><div·class="memdoc">226 </div><div·class="memdoc">
  
227 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/db1/a00200_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../d3/db1/a00200_source.html">CHPISlick.h</a>.</p>227 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/deb/a02090_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../d7/deb/a02090_source.html">CHPISlick.h</a>.</p>
  
228 </div>228 </div>
229 </div>229 </div>
230 <a·id="ae3285b23237b12f8b081973673cb6094"·name="ae3285b23237b12f8b081973673cb6094"></a>230 <a·id="ae3285b23237b12f8b081973673cb6094"·name="ae3285b23237b12f8b081973673cb6094"></a>
231 <h2·class="memtitle"><span·class="permalink"><a·href="#ae3285b23237b12f8b081973673cb6094">&#9670;&nbsp;</a></span>getHAtom()</h2>231 <h2·class="memtitle"><span·class="permalink"><a·href="#ae3285b23237b12f8b081973673cb6094">&#9670;&nbsp;</a></span>getHAtom()</h2>
  
232 <div·class="memitem">232 <div·class="memitem">
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248 ··</td>248 ··</td>
249 ··<td·class="mlabels-right">249 ··<td·class="mlabels-right">
250 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>250 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
251 ··</tr>251 ··</tr>
252 </table>252 </table>
253 </div><div·class="memdoc">253 </div><div·class="memdoc">
  
254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/db1/a00200_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../d3/db1/a00200_source.html">CHPISlick.h</a>.</p>254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/deb/a02090_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../d7/deb/a02090_source.html">CHPISlick.h</a>.</p>
  
255 </div>255 </div>
256 </div>256 </div>
257 <a·id="a8a009b424b2a1e878d9772439592e537"·name="a8a009b424b2a1e878d9772439592e537"></a>257 <a·id="a8a009b424b2a1e878d9772439592e537"·name="a8a009b424b2a1e878d9772439592e537"></a>
258 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a009b424b2a1e878d9772439592e537">&#9670;&nbsp;</a></span>setAtoms()</h2>258 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a009b424b2a1e878d9772439592e537">&#9670;&nbsp;</a></span>setAtoms()</h2>
  
259 <div·class="memitem">259 <div·class="memitem">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../d4/ddd/a05199.html">List·of·all·members</a>··</div>71 <a·href="../../d4/ddd/a05199.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ShiftedLVMMMinimizer::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ShiftedLVMMMinimizer::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d82/a00857_source.html">BALL/MOLMEC/MINIMIZATION/shiftedLVMM.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dd0/a00191_source.html">BALL/MOLMEC/MINIMIZATION/shiftedLVMM.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:aad14d300e733d74e3619fef461c4d48b"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3b/a05202.html#aad14d300e733d74e3619fef461c4d48b">UPDATE_METHOD</a></td></tr>79 <tr·class="memitem:aad14d300e733d74e3619fef461c4d48b"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3b/a05202.html#aad14d300e733d74e3619fef461c4d48b">UPDATE_METHOD</a></td></tr>
80 <tr·class="separator:aad14d300e733d74e3619fef461c4d48b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:aad14d300e733d74e3619fef461c4d48b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a44b5068e06928da7fad765fbef361ba9"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3b/a05202.html#a44b5068e06928da7fad765fbef361ba9">CORRECTION_PARAMETER</a></td></tr>81 <tr·class="memitem:a44b5068e06928da7fad765fbef361ba9"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3b/a05202.html#a44b5068e06928da7fad765fbef361ba9">CORRECTION_PARAMETER</a></td></tr>
82 <tr·class="separator:a44b5068e06928da7fad765fbef361ba9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a44b5068e06928da7fad765fbef361ba9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a687cc5f768f59e0ded73f5a46d1d90b7"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3b/a05202.html#a687cc5f768f59e0ded73f5a46d1d90b7">NUM_OF_COLUMNS</a></td></tr>83 <tr·class="memitem:a687cc5f768f59e0ded73f5a46d1d90b7"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3b/a05202.html#a687cc5f768f59e0ded73f5a46d1d90b7">NUM_OF_COLUMNS</a></td></tr>
84 <tr·class="separator:a687cc5f768f59e0ded73f5a46d1d90b7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a687cc5f768f59e0ded73f5a46d1d90b7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock">87 <div·class="textblock">
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d82/a00857_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../d0/d82/a00857_source.html">shiftedLVMM.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd0/a00191_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../d9/dd0/a00191_source.html">shiftedLVMM.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="a44b5068e06928da7fad765fbef361ba9"·name="a44b5068e06928da7fad765fbef361ba9"></a>90 <a·id="a44b5068e06928da7fad765fbef361ba9"·name="a44b5068e06928da7fad765fbef361ba9"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#a44b5068e06928da7fad765fbef361ba9">&#9670;&nbsp;</a></span>CORRECTION_PARAMETER</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#a44b5068e06928da7fad765fbef361ba9">&#9670;&nbsp;</a></span>CORRECTION_PARAMETER</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
93 <div·class="memproto">93 <div·class="memproto">
94 <table·class="mlabels">94 <table·class="mlabels">
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105 ··<td·class="mlabels-right">105 ··<td·class="mlabels-right">
106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
107 ··</tr>107 ··</tr>
108 </table>108 </table>
109 </div><div·class="memdoc">109 </div><div·class="memdoc">
110 <p·>Which·correction·parameter·should·be·used?·<a·class="el"·href="../../d6/d3b/a05202.html">Default</a>·is·RATIO_OF_SHIFT_PARAMS.·</p>110 <p·>Which·correction·parameter·should·be·used?·<a·class="el"·href="../../d6/d3b/a05202.html">Default</a>·is·RATIO_OF_SHIFT_PARAMS.·</p>
  
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d82/a00857_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d0/d82/a00857_source.html">shiftedLVMM.h</a>.</p>111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd0/a00191_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d9/dd0/a00191_source.html">shiftedLVMM.h</a>.</p>
  
112 </div>112 </div>
113 </div>113 </div>
114 <a·id="a687cc5f768f59e0ded73f5a46d1d90b7"·name="a687cc5f768f59e0ded73f5a46d1d90b7"></a>114 <a·id="a687cc5f768f59e0ded73f5a46d1d90b7"·name="a687cc5f768f59e0ded73f5a46d1d90b7"></a>
115 <h2·class="memtitle"><span·class="permalink"><a·href="#a687cc5f768f59e0ded73f5a46d1d90b7">&#9670;&nbsp;</a></span>NUM_OF_COLUMNS</h2>115 <h2·class="memtitle"><span·class="permalink"><a·href="#a687cc5f768f59e0ded73f5a46d1d90b7">&#9670;&nbsp;</a></span>NUM_OF_COLUMNS</h2>
  
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131 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>131 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
132 ··</tr>132 ··</tr>
133 </table>133 </table>
134 </div><div·class="memdoc">134 </div><div·class="memdoc">
135 <p·>The·number·of·columns·of·the·factor·of·the·shifted·inverse·hessian·approximation.·<a·class="el"·href="../../d6/d3b/a05202.html">Default</a>·is·5.·</p>135 <p·>The·number·of·columns·of·the·factor·of·the·shifted·inverse·hessian·approximation.·<a·class="el"·href="../../d6/d3b/a05202.html">Default</a>·is·5.·</p>
  
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d82/a00857_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../d0/d82/a00857_source.html">shiftedLVMM.h</a>.</p>136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd0/a00191_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../d9/dd0/a00191_source.html">shiftedLVMM.h</a>.</p>
  
137 </div>137 </div>
138 </div>138 </div>
139 <a·id="aad14d300e733d74e3619fef461c4d48b"·name="aad14d300e733d74e3619fef461c4d48b"></a>139 <a·id="aad14d300e733d74e3619fef461c4d48b"·name="aad14d300e733d74e3619fef461c4d48b"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#aad14d300e733d74e3619fef461c4d48b">&#9670;&nbsp;</a></span>UPDATE_METHOD</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#aad14d300e733d74e3619fef461c4d48b">&#9670;&nbsp;</a></span>UPDATE_METHOD</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
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155 ··<td·class="mlabels-right">155 ··<td·class="mlabels-right">
156 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>156 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
157 ··</tr>157 ··</tr>
158 </table>158 </table>
159 </div><div·class="memdoc">159 </div><div·class="memdoc">
160 <p·>Which·update·method·should·be·used?·<a·class="el"·href="../../d6/d3b/a05202.html">Default</a>·is·RANK_2.·</p>160 <p·>Which·update·method·should·be·used?·<a·class="el"·href="../../d6/d3b/a05202.html">Default</a>·is·RANK_2.·</p>
  
161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d82/a00857_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../d0/d82/a00857_source.html">shiftedLVMM.h</a>.</p>161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd0/a00191_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../d9/dd0/a00191_source.html">shiftedLVMM.h</a>.</p>
  
162 </div>162 </div>
163 </div>163 </div>
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165 <!--·start·footer·part·-->165 <!--·start·footer·part·-->
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60 </iframe>60 </iframe>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">pierottiCavFreeEnergyProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">rGroupAssembler.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;map&gt;</code><br·/>
 75 <code>#include·&lt;vector&gt;</code><br·/>
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../de/d34/a20344_source.html">BALL/KERNEL/forEach.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d3/dce/a01859_source.html">BALL/STRUCTURE/smilesParser.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/ENERGY/energyProcessor.h</a>&gt;</code><br·/>78 <code>#include·&lt;<a·class="el"·href="../../d4/d1e/a00497_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>80 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 81 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
77 </div>82 </div>
78 <p><a·href="../../d6/d3d/a01784_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d6/d3d/a01784_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">84 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>86 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d9f/a06554.html">BALL::PierottiCavFreeEnergyProcessor</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd2/a07090.html">BALL::RGroupAssembler</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d30/a06558.html">BALL::PierottiCavFreeEnergyProcessor::Option</a></td></tr> 
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/de2/a06562.html">BALL::PierottiCavFreeEnergyProcessor::Default</a></td></tr> 
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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90 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d7/d2a/a06883.html">List·of·all·members</a>··</div>70 <a·href="../../d7/d2a/a06883.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::GeometricCenterProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../d8/db0/a02196.html">Geometric·property·processors.</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::GeometricCenterProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../d8/db0/a02196.html">Geometric·property·processors.</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../dd/d57/a00701_source.html">BALL/STRUCTURE/geometricProperties.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../dd/d20/a01772_source.html">BALL/STRUCTURE/geometricProperties.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::GeometricCenterProcessor:</div>76 Inheritance·diagram·for·BALL::GeometricCenterProcessor:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d6/d3f/a06886.png"·usemap="#BALL::GeometricCenterProcessor_map"·alt=""/>79 ··<img·src="../../d6/d3f/a06886.png"·usemap="#BALL::GeometricCenterProcessor_map"·alt=""/>
80 ··<map·id="BALL::GeometricCenterProcessor_map"·name="BALL::GeometricCenterProcessor_map">80 ··<map·id="BALL::GeometricCenterProcessor_map"·name="BALL::GeometricCenterProcessor_map">
81 <area·href="../../db/dee/a03338.html"·alt="BALL::ConstUnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>81 <area·href="../../db/dee/a03338.html"·alt="BALL::ConstUnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>
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126 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>126 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
127 </table>127 </table>
128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
129 <div·class="textblock"><p·>Calculates·the·geometric·center·of·a·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object.·This·processor·calculates·the·geometric·center·of·the·atom·coordinates·of·a·given·molecular·object.·</p><dl·class="section·user"><dt></dt><dd>The·geometric·center·is·calculated·as·follows:·</dd></dl>129 <div·class="textblock"><p·>Calculates·the·geometric·center·of·a·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object.·This·processor·calculates·the·geometric·center·of·the·atom·coordinates·of·a·given·molecular·object.·</p><dl·class="section·user"><dt></dt><dd>The·geometric·center·is·calculated·as·follows:·</dd></dl>
130 <dl·class="section·user"><dt></dt><dd>[·\vec{C}·=·\frac{1}{N}·\sum_{i}{N}·\vec{r_i}·]·Where·$\vec{r_i}$·represents·the·coordinates·of·the·ith·atom.·</dd></dl>130 <dl·class="section·user"><dt></dt><dd>[·\vec{C}·=·\frac{1}{N}·\sum_{i}{N}·\vec{r_i}·]·Where·$\vec{r_i}$·represents·the·coordinates·of·the·ith·atom.·</dd></dl>
131 <dl·class="section·user"><dt></dt><dd></dd></dl>131 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d57/a00701_source.html#l00133">133</a>·of·file·<a·class="el"·href="../../dd/d57/a00701_source.html">geometricProperties.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d20/a01772_source.html#l00133">133</a>·of·file·<a·class="el"·href="../../dd/d20/a01772_source.html">geometricProperties.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="a81a6e09db713ae534841b16ce0df0f83"·name="a81a6e09db713ae534841b16ce0df0f83"></a>134 <a·id="a81a6e09db713ae534841b16ce0df0f83"·name="a81a6e09db713ae534841b16ce0df0f83"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#a81a6e09db713ae534841b16ce0df0f83">&#9670;&nbsp;</a></span>finish()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#a81a6e09db713ae534841b16ce0df0f83">&#9670;&nbsp;</a></span>finish()</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
137 <div·class="memproto">137 <div·class="memproto">
138 <table·class="mlabels">138 <table·class="mlabels">
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199 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>199 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
200 ··</tr>200 ··</tr>
201 </table>201 </table>
202 </div><div·class="memdoc">202 </div><div·class="memdoc">
  
203 <p>Reimplemented·from·<a·class="el"·href="../../db/dee/a03338.html#a7ae8716d8fcdb01fcccc794d9ae2c29a">BALL::ConstUnaryProcessor&lt;·Atom·&gt;</a>.</p>203 <p>Reimplemented·from·<a·class="el"·href="../../db/dee/a03338.html#a7ae8716d8fcdb01fcccc794d9ae2c29a">BALL::ConstUnaryProcessor&lt;·Atom·&gt;</a>.</p>
  
204 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d57/a00701_source.html#l00154">154</a>·of·file·<a·class="el"·href="../../dd/d57/a00701_source.html">geometricProperties.h</a>.</p>204 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d20/a01772_source.html#l00154">154</a>·of·file·<a·class="el"·href="../../dd/d20/a01772_source.html">geometricProperties.h</a>.</p>
  
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208 <h2·class="memtitle"><span·class="permalink"><a·href="#abd6dd939339353494b797bb26d497315">&#9670;&nbsp;</a></span>operator()()·<span·class="overload">[2/2]</span></h2>208 <h2·class="memtitle"><span·class="permalink"><a·href="#abd6dd939339353494b797bb26d497315">&#9670;&nbsp;</a></span>operator()()·<span·class="overload">[2/2]</span></h2>
  
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146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d07/a01913_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d4/d07/a01913_source.html">graphAlgorithms.h</a>.</p>146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
  
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150 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ea3d66609d49526a0f1d9e41acbfe45">&#9670;&nbsp;</a></span>edge_orig_ptr_t</h2>150 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ea3d66609d49526a0f1d9e41acbfe45">&#9670;&nbsp;</a></span>edge_orig_ptr_t</h2>
  
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163 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a7ea3d66609d49526a0f1d9e41acbfe45ad4dd12a94d2fcce2e63661941ec088be"·name="a7ea3d66609d49526a0f1d9e41acbfe45ad4dd12a94d2fcce2e63661941ec088be"></a>edge_orig_ptr&#160;</td><td·class="fielddoc"></td></tr>163 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a7ea3d66609d49526a0f1d9e41acbfe45ad4dd12a94d2fcce2e63661941ec088be"·name="a7ea3d66609d49526a0f1d9e41acbfe45ad4dd12a94d2fcce2e63661941ec088be"></a>edge_orig_ptr&#160;</td><td·class="fielddoc"></td></tr>
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165 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d07/a01913_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d4/d07/a01913_source.html">graphAlgorithms.h</a>.</p>165 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
  
166 </div>166 </div>
167 </div>167 </div>
168 <a·id="a87d27442ae5afaecf2a9e598fb446ac4"·name="a87d27442ae5afaecf2a9e598fb446ac4"></a>168 <a·id="a87d27442ae5afaecf2a9e598fb446ac4"·name="a87d27442ae5afaecf2a9e598fb446ac4"></a>
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183 </table>183 </table>
  
184 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d07/a01913_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d4/d07/a01913_source.html">graphAlgorithms.h</a>.</p>184 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
  
185 </div>185 </div>
186 </div>186 </div>
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188 <h2·class="memtitle"><span·class="permalink"><a·href="#a2fd0e83b1e83f42bc1e1478e553e61c5">&#9670;&nbsp;</a></span>vertex_bag_content_t</h2>188 <h2·class="memtitle"><span·class="permalink"><a·href="#a2fd0e83b1e83f42bc1e1478e553e61c5">&#9670;&nbsp;</a></span>vertex_bag_content_t</h2>
  
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201 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a2fd0e83b1e83f42bc1e1478e553e61c5ac0bfd3de45cc56596b226b58e7c53f53"·name="a2fd0e83b1e83f42bc1e1478e553e61c5ac0bfd3de45cc56596b226b58e7c53f53"></a>vertex_bag_content&#160;</td><td·class="fielddoc"></td></tr>201 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a2fd0e83b1e83f42bc1e1478e553e61c5ac0bfd3de45cc56596b226b58e7c53f53"·name="a2fd0e83b1e83f42bc1e1478e553e61c5ac0bfd3de45cc56596b226b58e7c53f53"></a>vertex_bag_content&#160;</td><td·class="fielddoc"></td></tr>
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203 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">treeWidth.h</a>.</p>203 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
204 </div>204 </div>
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207 <h2·class="memtitle"><span·class="permalink"><a·href="#a297460c732560bfc6e189f187f9d4fe6">&#9670;&nbsp;</a></span>vertex_bag_special_t</h2>207 <h2·class="memtitle"><span·class="permalink"><a·href="#a297460c732560bfc6e189f187f9d4fe6">&#9670;&nbsp;</a></span>vertex_bag_special_t</h2>
  
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221 </table>221 </table>
  
222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">treeWidth.h</a>.</p>222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
223 </div>223 </div>
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226 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1a2d225245def99c57cf2423484b7e7">&#9670;&nbsp;</a></span>vertex_bag_type_t</h2>226 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1a2d225245def99c57cf2423484b7e7">&#9670;&nbsp;</a></span>vertex_bag_type_t</h2>
  
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241 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">treeWidth.h</a>.</p>241 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
242 </div>242 </div>
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244 <a·id="a3a78eebd717beccc5fe14833703f3087"·name="a3a78eebd717beccc5fe14833703f3087"></a>244 <a·id="a3a78eebd717beccc5fe14833703f3087"·name="a3a78eebd717beccc5fe14833703f3087"></a>
245 <h2·class="memtitle"><span·class="permalink"><a·href="#a3a78eebd717beccc5fe14833703f3087">&#9670;&nbsp;</a></span>vertex_orig_ptr_t</h2>245 <h2·class="memtitle"><span·class="permalink"><a·href="#a3a78eebd717beccc5fe14833703f3087">&#9670;&nbsp;</a></span>vertex_orig_ptr_t</h2>
  
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259 </table>259 </table>
  
260 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d07/a01913_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d4/d07/a01913_source.html">graphAlgorithms.h</a>.</p>260 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
  
261 </div>261 </div>
262 </div>262 </div>
263 <h2·class="groupheader">Function·Documentation</h2>263 <h2·class="groupheader">Function·Documentation</h2>
264 <a·id="a197553177ee353348ec3f95c88ed8905"·name="a197553177ee353348ec3f95c88ed8905"></a>264 <a·id="a197553177ee353348ec3f95c88ed8905"·name="a197553177ee353348ec3f95c88ed8905"></a>
265 <h2·class="memtitle"><span·class="permalink"><a·href="#a197553177ee353348ec3f95c88ed8905">&#9670;&nbsp;</a></span>BOOST_INSTALL_PROPERTY()·<span·class="overload">[1/7]</span></h2>265 <h2·class="memtitle"><span·class="permalink"><a·href="#a197553177ee353348ec3f95c88ed8905">&#9670;&nbsp;</a></span>BOOST_INSTALL_PROPERTY()·<span·class="overload">[1/7]</span></h2>
  
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72 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;72 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
73 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;73 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
74 <a·href="../../d5/d60/a05279.html">List·of·all·members</a>··</div>74 <a·href="../../d5/d60/a05279.html">List·of·all·members</a>··</div>
75 ··<div·class="headertitle"><div·class="title">BALL::MMFF94StretchBendParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>75 ··<div·class="headertitle"><div·class="title">BALL::MMFF94StretchBendParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>
76 </div><!--header-->76 </div><!--header-->
77 <div·class="contents">77 <div·class="contents">
  
78 <p><code>#include·&lt;<a·class="el"·href="../../df/d88/a00962_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../df/dc8/a00122_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
80 Inheritance·diagram·for·BALL::MMFF94StretchBendParameters:</div>80 Inheritance·diagram·for·BALL::MMFF94StretchBendParameters:</div>
81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../d6/d45/a05282.png"·usemap="#BALL::MMFF94StretchBendParameters_map"·alt=""/>83 ··<img·src="../../d6/d45/a05282.png"·usemap="#BALL::MMFF94StretchBendParameters_map"·alt=""/>
84 ··<map·id="BALL::MMFF94StretchBendParameters_map"·name="BALL::MMFF94StretchBendParameters_map">84 ··<map·id="BALL::MMFF94StretchBendParameters_map"·name="BALL::MMFF94StretchBendParameters_map">
85 <area·href="../../d8/de7/a05250.html"·alt="BALL::MMFF94ParametersBase"·shape="rect"·coords="0,0,234,24"/>85 <area·href="../../d8/de7/a05250.html"·alt="BALL::MMFF94ParametersBase"·shape="rect"·coords="0,0,234,24"/>
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158 <tr·class="separator:a84d92d3f781cbfdb13dfc7d7e6746a31·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>158 <tr·class="separator:a84d92d3f781cbfdb13dfc7d7e6746a31·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
159 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>159 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>
160 <tr·class="separator:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>160 <tr·class="separator:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
161 </table>161 </table>
162 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>162 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
163 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·stretch-bend·interactions·(see·MMFFSTBN.PAR)·</p>163 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·stretch-bend·interactions·(see·MMFFSTBN.PAR)·</p>
  
164 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00310">310</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>164 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00310">310</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
165 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>165 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
166 <a·id="a56ab1823805eac5fc9883a82a5f0d866"·name="a56ab1823805eac5fc9883a82a5f0d866"></a>166 <a·id="a56ab1823805eac5fc9883a82a5f0d866"·name="a56ab1823805eac5fc9883a82a5f0d866"></a>
167 <h2·class="memtitle"><span·class="permalink"><a·href="#a56ab1823805eac5fc9883a82a5f0d866">&#9670;&nbsp;</a></span>StretchBendMap</h2>167 <h2·class="memtitle"><span·class="permalink"><a·href="#a56ab1823805eac5fc9883a82a5f0d866">&#9670;&nbsp;</a></span>StretchBendMap</h2>
  
168 <div·class="memitem">168 <div·class="memitem">
169 <div·class="memproto">169 <div·class="memproto">
170 ······<table·class="memname">170 ······<table·class="memname">
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174 ··········<td·class="memname">typedef·<a·class="el"·href="../../d0/de9/a03530.html">HashMap</a>&lt;<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>,·std::pair&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·&gt;·<a·class="el"·href="../../d6/d45/a05282.html#a56ab1823805eac5fc9883a82a5f0d866">BALL::MMFF94StretchBendParameters::StretchBendMap</a></td>174 ··········<td·class="memname">typedef·<a·class="el"·href="../../d0/de9/a03530.html">HashMap</a>&lt;<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>,·std::pair&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·&gt;·<a·class="el"·href="../../d6/d45/a05282.html#a56ab1823805eac5fc9883a82a5f0d866">BALL::MMFF94StretchBendParameters::StretchBendMap</a></td>
175 ········</tr>175 ········</tr>
176 ······</table>176 ······</table>
177 </div><div·class="memdoc">177 </div><div·class="memdoc">
  
178 <p>Map·with·the·force·constant·and·reference·angle.·</p>178 <p>Map·with·the·force·constant·and·reference·angle.·</p>
  
179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00316">316</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00316">316</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
180 </div>180 </div>
181 </div>181 </div>
182 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>182 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
183 <a·id="a9e41e2bd8cf5dd69aab695358c093807"·name="a9e41e2bd8cf5dd69aab695358c093807"></a>183 <a·id="a9e41e2bd8cf5dd69aab695358c093807"·name="a9e41e2bd8cf5dd69aab695358c093807"></a>
184 <h2·class="memtitle"><span·class="permalink"><a·href="#a9e41e2bd8cf5dd69aab695358c093807">&#9670;&nbsp;</a></span>MMFF94StretchBendParameters()</h2>184 <h2·class="memtitle"><span·class="permalink"><a·href="#a9e41e2bd8cf5dd69aab695358c093807">&#9670;&nbsp;</a></span>MMFF94StretchBendParameters()</h2>
  
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500 ··</td>500 ··</td>
501 ··<td·class="mlabels-right">501 ··<td·class="mlabels-right">
502 <span·class="mlabels"><span·class="mlabel">mutable</span><span·class="mlabel">protected</span></span>··</td>502 <span·class="mlabels"><span·class="mlabel">mutable</span><span·class="mlabel">protected</span></span>··</td>
503 ··</tr>503 ··</tr>
504 </table>504 </table>
505 </div><div·class="memdoc">505 </div><div·class="memdoc">
  
506 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00356">356</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>506 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00356">356</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
507 </div>507 </div>
508 </div>508 </div>
509 <a·id="a0f1fb1de74753b2ad88644f57546ed26"·name="a0f1fb1de74753b2ad88644f57546ed26"></a>509 <a·id="a0f1fb1de74753b2ad88644f57546ed26"·name="a0f1fb1de74753b2ad88644f57546ed26"></a>
510 <h2·class="memtitle"><span·class="permalink"><a·href="#a0f1fb1de74753b2ad88644f57546ed26">&#9670;&nbsp;</a></span>parameters_</h2>510 <h2·class="memtitle"><span·class="permalink"><a·href="#a0f1fb1de74753b2ad88644f57546ed26">&#9670;&nbsp;</a></span>parameters_</h2>
  
511 <div·class="memitem">511 <div·class="memitem">
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526 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>526 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
527 ··</tr>527 ··</tr>
528 </table>528 </table>
529 </div><div·class="memdoc">529 </div><div·class="memdoc">
  
530 <p>parameters·</p>530 <p>parameters·</p>
  
531 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00355">355</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>531 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00355">355</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
532 </div>532 </div>
533 </div>533 </div>
534 <a·id="ad245c270589252181f848ac2c9521495"·name="ad245c270589252181f848ac2c9521495"></a>534 <a·id="ad245c270589252181f848ac2c9521495"·name="ad245c270589252181f848ac2c9521495"></a>
535 <h2·class="memtitle"><span·class="permalink"><a·href="#ad245c270589252181f848ac2c9521495">&#9670;&nbsp;</a></span>parameters_by_row_</h2>535 <h2·class="memtitle"><span·class="permalink"><a·href="#ad245c270589252181f848ac2c9521495">&#9670;&nbsp;</a></span>parameters_by_row_</h2>
  
536 <div·class="memitem">536 <div·class="memitem">
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550 ··</td>550 ··</td>
551 ··<td·class="mlabels-right">551 ··<td·class="mlabels-right">
552 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>552 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
553 ··</tr>553 ··</tr>
554 </table>554 </table>
555 </div><div·class="memdoc">555 </div><div·class="memdoc">
  
556 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00357">357</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>556 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00357">357</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
557 </div>557 </div>
558 </div>558 </div>
559 </div><!--·contents·-->559 </div><!--·contents·-->
560 <!--·start·footer·part·-->560 <!--·start·footer·part·-->
561 <hr·class="footer"/><address·class="footer"><small>561 <hr·class="footer"/><address·class="footer"><small>
562 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4562 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d1/d27/a07395.html">List·of·all·members</a>··</div>71 <a·href="../../d1/d27/a07395.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::TCPIOStream·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TCPIOStream·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/d46/a01739_source.html">BALL/SYSTEM/networking.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dc/dce/a00740_source.html">BALL/SYSTEM/networking.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::TCPIOStream:</div>77 Inheritance·diagram·for·BALL::TCPIOStream:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d6/d49/a07398.png"·alt=""/>80 ··<img·src="../../d6/d49/a07398.png"·alt=""/>
81 ·</div></div>81 ·</div></div>
82 <table·class="memberdecls">82 <table·class="memberdecls">
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90 <tr·class="memitem:a836f056c658e2c201a90c1e3ee8237b3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d49/a07398.html#a836f056c658e2c201a90c1e3ee8237b3">TCPIOStream</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;hostname,·<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·port)</td></tr>90 <tr·class="memitem:a836f056c658e2c201a90c1e3ee8237b3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d49/a07398.html#a836f056c658e2c201a90c1e3ee8237b3">TCPIOStream</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;hostname,·<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·port)</td></tr>
91 <tr·class="separator:a836f056c658e2c201a90c1e3ee8237b3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a836f056c658e2c201a90c1e3ee8237b3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock"><p·>This·class·provides·a·very·thin·layer·around·the·asio·(or·boost::asio,·depending·on·your·setup)·functions·for·handling·asynchronous·io.</p>94 <div·class="textblock"><p·>This·class·provides·a·very·thin·layer·around·the·asio·(or·boost::asio,·depending·on·your·setup)·functions·for·handling·asynchronous·io.</p>
95 <p·>Please·use·this·class·instead·of·asio·directly·whenever·possible,·since·we·want·to·encapsulate·a·number·of·details·(asio·-·namespace,·correct·names·of·header·files,·...)·to·allow·boost-integrated·asio·as·well·as·the·pure·library.·</p>95 <p·>Please·use·this·class·instead·of·asio·directly·whenever·possible,·since·we·want·to·encapsulate·a·number·of·details·(asio·-·namespace,·correct·names·of·header·files,·...)·to·allow·boost-integrated·asio·as·well·as·the·pure·library.·</p>
  
96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d46/a01739_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d1/d46/a01739_source.html">networking.h</a>.</p>96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">networking.h</a>.</p>
97 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>97 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
98 <a·id="a70a4db3daad8dde01b25cacfb4c7b1af"·name="a70a4db3daad8dde01b25cacfb4c7b1af"></a>98 <a·id="a70a4db3daad8dde01b25cacfb4c7b1af"·name="a70a4db3daad8dde01b25cacfb4c7b1af"></a>
99 <h2·class="memtitle"><span·class="permalink"><a·href="#a70a4db3daad8dde01b25cacfb4c7b1af">&#9670;&nbsp;</a></span>TCPIOStream()·<span·class="overload">[1/3]</span></h2>99 <h2·class="memtitle"><span·class="permalink"><a·href="#a70a4db3daad8dde01b25cacfb4c7b1af">&#9670;&nbsp;</a></span>TCPIOStream()·<span·class="overload">[1/3]</span></h2>
  
100 <div·class="memitem">100 <div·class="memitem">
101 <div·class="memproto">101 <div·class="memproto">
102 <table·class="mlabels">102 <table·class="mlabels">
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115 ··</td>115 ··</td>
116 ··<td·class="mlabels-right">116 ··<td·class="mlabels-right">
117 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>117 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
118 ··</tr>118 ··</tr>
119 </table>119 </table>
120 </div><div·class="memdoc">120 </div><div·class="memdoc">
  
121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d46/a01739_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d1/d46/a01739_source.html">networking.h</a>.</p>121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">networking.h</a>.</p>
  
122 </div>122 </div>
123 </div>123 </div>
124 <a·id="a7550262f8369c4818380352f1d65eae2"·name="a7550262f8369c4818380352f1d65eae2"></a>124 <a·id="a7550262f8369c4818380352f1d65eae2"·name="a7550262f8369c4818380352f1d65eae2"></a>
125 <h2·class="memtitle"><span·class="permalink"><a·href="#a7550262f8369c4818380352f1d65eae2">&#9670;&nbsp;</a></span>TCPIOStream()·<span·class="overload">[2/3]</span></h2>125 <h2·class="memtitle"><span·class="permalink"><a·href="#a7550262f8369c4818380352f1d65eae2">&#9670;&nbsp;</a></span>TCPIOStream()·<span·class="overload">[2/3]</span></h2>
  
126 <div·class="memitem">126 <div·class="memitem">
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153 ··</td>153 ··</td>
154 ··<td·class="mlabels-right">154 ··<td·class="mlabels-right">
155 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>155 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
156 ··</tr>156 ··</tr>
157 </table>157 </table>
158 </div><div·class="memdoc">158 </div><div·class="memdoc">
  
159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d46/a01739_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d1/d46/a01739_source.html">networking.h</a>.</p>159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">networking.h</a>.</p>
  
160 </div>160 </div>
161 </div>161 </div>
162 <a·id="a836f056c658e2c201a90c1e3ee8237b3"·name="a836f056c658e2c201a90c1e3ee8237b3"></a>162 <a·id="a836f056c658e2c201a90c1e3ee8237b3"·name="a836f056c658e2c201a90c1e3ee8237b3"></a>
163 <h2·class="memtitle"><span·class="permalink"><a·href="#a836f056c658e2c201a90c1e3ee8237b3">&#9670;&nbsp;</a></span>TCPIOStream()·<span·class="overload">[3/3]</span></h2>163 <h2·class="memtitle"><span·class="permalink"><a·href="#a836f056c658e2c201a90c1e3ee8237b3">&#9670;&nbsp;</a></span>TCPIOStream()·<span·class="overload">[3/3]</span></h2>
  
164 <div·class="memitem">164 <div·class="memitem">
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191 ··</td>191 ··</td>
192 ··<td·class="mlabels-right">192 ··<td·class="mlabels-right">
193 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>193 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
194 ··</tr>194 ··</tr>
195 </table>195 </table>
196 </div><div·class="memdoc">196 </div><div·class="memdoc">
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d46/a01739_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d1/d46/a01739_source.html">networking.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">networking.h</a>.</p>
  
198 </div>198 </div>
199 </div>199 </div>
200 </div><!--·contents·-->200 </div><!--·contents·-->
201 <!--·start·footer·part·-->201 <!--·start·footer·part·-->
202 <hr·class="footer"/><address·class="footer"><small>202 <hr·class="footer"/><address·class="footer"><small>
203 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4203 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
75 <a·href="#pro-static-attribs">Static·Protected·Attributes</a>·&#124;75 <a·href="#pro-static-attribs">Static·Protected·Attributes</a>·&#124;
76 <a·href="../../d1/de1/a08011.html">List·of·all·members</a>··</div>76 <a·href="../../d1/de1/a08011.html">List·of·all·members</a>··</div>
77 ··<div·class="headertitle"><div·class="title">BALL::VIEW::UIOperationMode·Class·Reference</div></div>77 ··<div·class="headertitle"><div·class="title">BALL::VIEW::UIOperationMode·Class·Reference</div></div>
78 </div><!--header-->78 </div><!--header-->
79 <div·class="contents">79 <div·class="contents">
  
80 <p><code>#include·&lt;<a·class="el"·href="../../d2/d49/a01067_source.html">BALL/VIEW/KERNEL/UIOperationMode.h</a>&gt;</code></p>80 <p><code>#include·&lt;<a·class="el"·href="../../dd/d48/a00995_source.html">BALL/VIEW/KERNEL/UIOperationMode.h</a>&gt;</code></p>
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132 </table>132 </table>
133 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>133 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
134 <div·class="textblock"><p·>A·singleton·that·manages·the·operation·mode·of·our·user·interface.·</p>134 <div·class="textblock"><p·>A·singleton·that·manages·the·operation·mode·of·our·user·interface.·</p>
  
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138 <h2·class="memtitle"><span·class="permalink"><a·href="#aa6ed37ef1f10b6991c83722ec811cff7">&#9670;&nbsp;</a></span>OperationMode</h2>138 <h2·class="memtitle"><span·class="permalink"><a·href="#aa6ed37ef1f10b6991c83722ec811cff7">&#9670;&nbsp;</a></span>OperationMode</h2>
  
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154 </table>154 </table>
  
155 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d49/a01067_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d2/d49/a01067_source.html">UIOperationMode.h</a>.</p>155 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d48/a00995_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../dd/d48/a00995_source.html">UIOperationMode.h</a>.</p>
  
156 </div>156 </div>
157 </div>157 </div>
158 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>158 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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160 <h2·class="memtitle"><span·class="permalink"><a·href="#a48859f6f86b88a19cf7b1f5dd5d1c237">&#9670;&nbsp;</a></span>~UIOperationMode()</h2>160 <h2·class="memtitle"><span·class="permalink"><a·href="#a48859f6f86b88a19cf7b1f5dd5d1c237">&#9670;&nbsp;</a></span>~UIOperationMode()</h2>
  
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389 ··</td>389 ··</td>
390 ··<td·class="mlabels-right">390 ··<td·class="mlabels-right">
391 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>391 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>
392 ··</tr>392 ··</tr>
393 </table>393 </table>
394 </div><div·class="memdoc">394 </div><div·class="memdoc">
  
395 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d49/a01067_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d2/d49/a01067_source.html">UIOperationMode.h</a>.</p>395 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d48/a00995_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../dd/d48/a00995_source.html">UIOperationMode.h</a>.</p>
  
396 </div>396 </div>
397 </div>397 </div>
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399 <h2·class="memtitle"><span·class="permalink"><a·href="#a960d89128dd8e030708c5c27730c7c9c">&#9670;&nbsp;</a></span>instance_</h2>399 <h2·class="memtitle"><span·class="permalink"><a·href="#a960d89128dd8e030708c5c27730c7c9c">&#9670;&nbsp;</a></span>instance_</h2>
  
400 <div·class="memitem">400 <div·class="memitem">
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416 ··</tr>416 ··</tr>
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418 </div><div·class="memdoc">418 </div><div·class="memdoc">
  
419 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d49/a01067_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../d2/d49/a01067_source.html">UIOperationMode.h</a>.</p>419 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d48/a00995_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../dd/d48/a00995_source.html">UIOperationMode.h</a>.</p>
  
420 </div>420 </div>
421 </div>421 </div>
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423 <h2·class="memtitle"><span·class="permalink"><a·href="#af770a29065f0505c4af9b8f59ae205b8">&#9670;&nbsp;</a></span>mode_</h2>423 <h2·class="memtitle"><span·class="permalink"><a·href="#af770a29065f0505c4af9b8f59ae205b8">&#9670;&nbsp;</a></span>mode_</h2>
  
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8 <title>BALL:·format.h·File·Reference</title>8 <title>BALL:·bondOrderAssignmentStrategy.h·File·Reference</title>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li><li·class="navelem"><a·class="el"·href="../../dir_6ac6220cac5eaca96612654e61f12e3a.html">BONDORDERS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
 68 ··<div·class="summary">
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 70 <a·href="#namespaces">Namespaces</a>··</div>
68 ··<div·class="headertitle"><div·class="title">format.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">bondOrderAssignmentStrategy.h·File·Reference</div></div>
69 </div><!--header-->72 </div><!--header-->
70 <div·class="contents">73 <div·class="contents">
71 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d2d/a00047_source.html">BALL/FORMAT/PDBFile.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d26/a01700_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignment.h</a>&gt;</code><br·/>
72 <code>#include·&lt;<a·class="el"·href="../../d4/d3e/a00116_source.html">BALL/FORMAT/HINFile.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/>
73 <code>#include·&lt;<a·class="el"·href="../../d3/d52/a00023_source.html">BALL/FORMAT/INIFile.h</a>&gt;</code><br·/> 
74 <code>#include·&lt;<a·class="el"·href="../../df/d6a/a00119_source.html">BALL/FORMAT/MOL2File.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../d3/d8b/a00059_source.html">BALL/FORMAT/resourceFile.h</a>&gt;</code><br·/> 
76 </div>77 </div>
77 <p><a·href="../../d6/d53/a01688_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d6/d53/a01688_source.html">Go·to·the·source·code·of·this·file.</a></p>
 79 <table·class="memberdecls">
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74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
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74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d29/a01817_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
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79 <tr·class="memitem:a4d0436137c6c56f39f49ecaeca5b4e6c"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d60/a06230.html#a4d0436137c6c56f39f49ecaeca5b4e6c">AromaticRing</a>·()</td></tr>79 <tr·class="memitem:a4d0436137c6c56f39f49ecaeca5b4e6c"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d60/a06230.html#a4d0436137c6c56f39f49ecaeca5b4e6c">AromaticRing</a>·()</td></tr>
80 <tr·class="separator:a4d0436137c6c56f39f49ecaeca5b4e6c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a4d0436137c6c56f39f49ecaeca5b4e6c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:ac194530ab12c17abbb7f818428e9eb18"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d60/a06230.html#ac194530ab12c17abbb7f818428e9eb18">AromaticRing</a>·(const·<a·class="el"·href="../../d6/d60/a06230.html">AromaticRing</a>·&amp;aromatic_ring)</td></tr>81 <tr·class="memitem:ac194530ab12c17abbb7f818428e9eb18"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d60/a06230.html#ac194530ab12c17abbb7f818428e9eb18">AromaticRing</a>·(const·<a·class="el"·href="../../d6/d60/a06230.html">AromaticRing</a>·&amp;aromatic_ring)</td></tr>
82 <tr·class="separator:ac194530ab12c17abbb7f818428e9eb18"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:ac194530ab12c17abbb7f818428e9eb18"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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95 <tr·class="separator:a2af7bbc604937aadcc7663319008af77"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:a2af7bbc604937aadcc7663319008af77"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 <tr·class="memitem:a72c3fa50aaaf49d8c743fbee0fe6960d"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d60/a06230.html#a72c3fa50aaaf49d8c743fbee0fe6960d">update</a>·()</td></tr>96 <tr·class="memitem:a72c3fa50aaaf49d8c743fbee0fe6960d"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d60/a06230.html#a72c3fa50aaaf49d8c743fbee0fe6960d">update</a>·()</td></tr>
97 <tr·class="separator:a72c3fa50aaaf49d8c743fbee0fe6960d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:a72c3fa50aaaf49d8c743fbee0fe6960d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>98 </table>
99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
100 <div·class="textblock"><p·>A·class·for·storing·aromatic·rings·and·information·associated·with·them.·At·the·moment·we·only·need·the·ring·centres·and·the·atoms.·</p>100 <div·class="textblock"><p·>A·class·for·storing·aromatic·rings·and·information·associated·with·them.·At·the·moment·we·only·need·the·ring·centres·and·the·atoms.·</p>
  
101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">CHPI.h</a>.</p>101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d14/a02066_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../da/d14/a02066_source.html">CHPI.h</a>.</p>
102 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>102 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
103 <a·id="a4d0436137c6c56f39f49ecaeca5b4e6c"·name="a4d0436137c6c56f39f49ecaeca5b4e6c"></a>103 <a·id="a4d0436137c6c56f39f49ecaeca5b4e6c"·name="a4d0436137c6c56f39f49ecaeca5b4e6c"></a>
104 <h2·class="memtitle"><span·class="permalink"><a·href="#a4d0436137c6c56f39f49ecaeca5b4e6c">&#9670;&nbsp;</a></span>AromaticRing()·<span·class="overload">[1/3]</span></h2>104 <h2·class="memtitle"><span·class="permalink"><a·href="#a4d0436137c6c56f39f49ecaeca5b4e6c">&#9670;&nbsp;</a></span>AromaticRing()·<span·class="overload">[1/3]</span></h2>
  
105 <div·class="memitem">105 <div·class="memitem">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d6/db9/a08407.html">List·of·all·members</a>··</div>71 <a·href="../../d6/db9/a08407.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ComboBoxDelegate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ComboBoxDelegate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/dc8/a01541_source.html">BALL/VIEW/WIDGETS/hotkeyTable.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/d7c/a01073_source.html">BALL/VIEW/WIDGETS/hotkeyTable.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::ComboBoxDelegate:</div>77 Inheritance·diagram·for·BALL::VIEW::ComboBoxDelegate:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d6/d60/a08410.png"·usemap="#BALL::VIEW::ComboBoxDelegate_map"·alt=""/>80 ··<img·src="../../d6/d60/a08410.png"·usemap="#BALL::VIEW::ComboBoxDelegate_map"·alt=""/>
81 ··<map·id="BALL::VIEW::ComboBoxDelegate_map"·name="BALL::VIEW::ComboBoxDelegate_map">81 ··<map·id="BALL::VIEW::ComboBoxDelegate_map"·name="BALL::VIEW::ComboBoxDelegate_map">
82 <area·href="../../df/dc8/a20086.html"·alt="QItemDelegate"·shape="rect"·coords="0,0,196,24"/>82 <area·href="../../df/dc8/a20086.html"·alt="QItemDelegate"·shape="rect"·coords="0,0,196,24"/>
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95 <tr·class="memitem:a42ebdd0ad7ddba8c2fdfa7264667416a"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d60/a08410.html#a42ebdd0ad7ddba8c2fdfa7264667416a">setModelData</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*editor,·QAbstractItemModel·*model,·const·QModelIndex·&amp;index)·const</td></tr>95 <tr·class="memitem:a42ebdd0ad7ddba8c2fdfa7264667416a"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d60/a08410.html#a42ebdd0ad7ddba8c2fdfa7264667416a">setModelData</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*editor,·QAbstractItemModel·*model,·const·QModelIndex·&amp;index)·const</td></tr>
96 <tr·class="separator:a42ebdd0ad7ddba8c2fdfa7264667416a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:a42ebdd0ad7ddba8c2fdfa7264667416a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 <tr·class="memitem:a82a2651b03c094ed072e0fc0b1015a82"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d60/a08410.html#a82a2651b03c094ed072e0fc0b1015a82">updateEditorGeometry</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*editor,·const·QStyleOptionViewItem·&amp;option,·const·QModelIndex·&amp;index)·const</td></tr>97 <tr·class="memitem:a82a2651b03c094ed072e0fc0b1015a82"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d60/a08410.html#a82a2651b03c094ed072e0fc0b1015a82">updateEditorGeometry</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*editor,·const·QStyleOptionViewItem·&amp;option,·const·QModelIndex·&amp;index)·const</td></tr>
98 <tr·class="separator:a82a2651b03c094ed072e0fc0b1015a82"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:a82a2651b03c094ed072e0fc0b1015a82"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>99 </table>
100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
101 <div·class="textblock">101 <div·class="textblock">
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dc8/a01541_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d5/dc8/a01541_source.html">hotkeyTable.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7c/a01073_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d9/d7c/a01073_source.html">hotkeyTable.h</a>.</p>
103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
104 <a·id="a0ec20e9d68113656c0c18597626fc9f7"·name="a0ec20e9d68113656c0c18597626fc9f7"></a>104 <a·id="a0ec20e9d68113656c0c18597626fc9f7"·name="a0ec20e9d68113656c0c18597626fc9f7"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#a0ec20e9d68113656c0c18597626fc9f7">&#9670;&nbsp;</a></span>ComboBoxDelegate()</h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#a0ec20e9d68113656c0c18597626fc9f7">&#9670;&nbsp;</a></span>ComboBoxDelegate()</h2>
  
106 <div·class="memitem">106 <div·class="memitem">
107 <div·class="memproto">107 <div·class="memproto">
108 ······<table·class="memname">108 ······<table·class="memname">
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="../../d5/d5a/a05239.html">List·of·all·members</a>··</div>72 <a·href="../../d5/d5a/a05239.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::MMFF94OutOfPlaneBend·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::MMFF94OutOfPlaneBend·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d7/dd4/a00968_source.html">BALL/MOLMEC/MMFF94/MMFF94OutOfPlaneBend.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dc/dfe/a00125_source.html">BALL/MOLMEC/MMFF94/MMFF94OutOfPlaneBend.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::MMFF94OutOfPlaneBend:</div>78 Inheritance·diagram·for·BALL::MMFF94OutOfPlaneBend:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d6/d63/a05242.png"·usemap="#BALL::MMFF94OutOfPlaneBend_map"·alt=""/>81 ··<img·src="../../d6/d63/a05242.png"·usemap="#BALL::MMFF94OutOfPlaneBend_map"·alt=""/>
82 ··<map·id="BALL::MMFF94OutOfPlaneBend_map"·name="BALL::MMFF94OutOfPlaneBend_map">82 ··<map·id="BALL::MMFF94OutOfPlaneBend_map"·name="BALL::MMFF94OutOfPlaneBend_map">
83 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,196,80"/>83 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,196,80"/>
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235 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>235 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
236 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>236 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
237 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>237 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
238 </table>238 </table>
239 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>239 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
240 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·Out·of·plane·component·</p>240 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·Out·of·plane·component·</p>
  
241 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dd4/a00968_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d7/dd4/a00968_source.html">MMFF94OutOfPlaneBend.h</a>.</p>241 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dfe/a00125_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../dc/dfe/a00125_source.html">MMFF94OutOfPlaneBend.h</a>.</p>
242 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>242 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
243 <a·id="a7056b9c9d9e49b7bb856d29141140644"·name="a7056b9c9d9e49b7bb856d29141140644"></a>243 <a·id="a7056b9c9d9e49b7bb856d29141140644"·name="a7056b9c9d9e49b7bb856d29141140644"></a>
244 <h2·class="memtitle"><span·class="permalink"><a·href="#a7056b9c9d9e49b7bb856d29141140644">&#9670;&nbsp;</a></span>MMFF94OutOfPlaneBend()·<span·class="overload">[1/3]</span></h2>244 <h2·class="memtitle"><span·class="permalink"><a·href="#a7056b9c9d9e49b7bb856d29141140644">&#9670;&nbsp;</a></span>MMFF94OutOfPlaneBend()·<span·class="overload">[1/3]</span></h2>
  
245 <div·class="memitem">245 <div·class="memitem">
246 <div·class="memproto">246 <div·class="memproto">
247 ······<table·class="memname">247 ······<table·class="memname">
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383 ··</td>383 ··</td>
384 ··<td·class="mlabels-right">384 ··<td·class="mlabels-right">
385 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>385 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
386 ··</tr>386 ··</tr>
387 </table>387 </table>
388 </div><div·class="memdoc">388 </div><div·class="memdoc">
  
389 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dd4/a00968_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../d7/dd4/a00968_source.html">MMFF94OutOfPlaneBend.h</a>.</p>389 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dfe/a00125_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../dc/dfe/a00125_source.html">MMFF94OutOfPlaneBend.h</a>.</p>
  
390 </div>390 </div>
391 </div>391 </div>
392 <a·id="af863150866399c1a89d5bd16224d8e5a"·name="af863150866399c1a89d5bd16224d8e5a"></a>392 <a·id="af863150866399c1a89d5bd16224d8e5a"·name="af863150866399c1a89d5bd16224d8e5a"></a>
393 <h2·class="memtitle"><span·class="permalink"><a·href="#af863150866399c1a89d5bd16224d8e5a">&#9670;&nbsp;</a></span>setup()</h2>393 <h2·class="memtitle"><span·class="permalink"><a·href="#af863150866399c1a89d5bd16224d8e5a">&#9670;&nbsp;</a></span>setup()</h2>
  
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d1/d33/a07815.html">List·of·all·members</a>··</div>70 <a·href="../../d1/d33/a07815.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Message·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Message·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d0/d39/a01112_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::Message:</div>76 Inheritance·diagram·for·BALL::VIEW::Message:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d6/d6e/a07818.png"·usemap="#BALL::VIEW::Message_map"·alt=""/>79 ··<img·src="../../d6/d6e/a07818.png"·usemap="#BALL::VIEW::Message_map"·alt=""/>
80 ··<map·id="BALL::VIEW::Message_map"·name="BALL::VIEW::Message_map">80 ··<map·id="BALL::VIEW::Message_map"·name="BALL::VIEW::Message_map">
81 <area·href="../../d5/d6c/a07826.html"·alt="BALL::VIEW::CompositeMessage"·shape="rect"·coords="293,56,576,80"/>81 <area·href="../../d5/d6c/a07826.html"·alt="BALL::VIEW::CompositeMessage"·shape="rect"·coords="293,56,576,80"/>
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120 <tr·class="separator:a87214db6ae48007398e7af3d53608a8f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>120 <tr·class="separator:a87214db6ae48007398e7af3d53608a8f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
121 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>121 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>
122 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da"><td·class="memSeparator"·colspan="2">&#160;</td></tr>122 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
123 </table>123 </table>
124 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>124 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
125 <div·class="textblock"><p·>General·<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·class.·<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·is·the·base·class·of·all·message·classes·and·provides·a·base·interface.·<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·classes·will·be·sent·through·the·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·tree·for·the·purpose·of·communication·between·several·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·classes.·Each·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·handels·in·its·<b>onNotify()</b>·method·messages·that·are·relevant·for·that·class·by·means·of·<a·class="el"·href="../../d5/de0/a02220.html">RTTI</a>.·This·class·can·be·given·a·sender·object·that·is·a·pointer·to·the·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·that·has·initially·sent·the·message.·This·methods·concerning·the·sender·object·are·internally·used·and·no·user·interaction·is·necessary.·A·message·can·be·deletable·or·not.·If·a·message·is·deletable·it·will·be·deleted·after·all·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·objects·has·been·informed·of·this·message.·Therefore·a·deletable·message·must·be·created·with·the·<b>·new</b>·command.·All·messages·should·be·created·with·the·<b>·new</b>·command,·since·they·will·be·automatically·deleted·after·all·ConnectionObjects·have·been·notified.·See·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·for·further·information·concerning·message·handling.·and·message·posting.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>125 <div·class="textblock"><p·>General·<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·class.·<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·is·the·base·class·of·all·message·classes·and·provides·a·base·interface.·<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·classes·will·be·sent·through·the·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·tree·for·the·purpose·of·communication·between·several·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·classes.·Each·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·handels·in·its·<b>onNotify()</b>·method·messages·that·are·relevant·for·that·class·by·means·of·<a·class="el"·href="../../d5/de0/a02220.html">RTTI</a>.·This·class·can·be·given·a·sender·object·that·is·a·pointer·to·the·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·that·has·initially·sent·the·message.·This·methods·concerning·the·sender·object·are·internally·used·and·no·user·interaction·is·necessary.·A·message·can·be·deletable·or·not.·If·a·message·is·deletable·it·will·be·deleted·after·all·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·objects·has·been·informed·of·this·message.·Therefore·a·deletable·message·must·be·created·with·the·<b>·new</b>·command.·All·messages·should·be·created·with·the·<b>·new</b>·command,·since·they·will·be·automatically·deleted·after·all·ConnectionObjects·have·been·notified.·See·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·for·further·information·concerning·message·handling.·and·message·posting.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
127 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>127 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
128 <a·id="aea650b095897024b3d13059fde10428a"·name="aea650b095897024b3d13059fde10428a"></a>128 <a·id="aea650b095897024b3d13059fde10428a"·name="aea650b095897024b3d13059fde10428a"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#aea650b095897024b3d13059fde10428a">&#9670;&nbsp;</a></span>Message()·<span·class="overload">[1/2]</span></h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#aea650b095897024b3d13059fde10428a">&#9670;&nbsp;</a></span>Message()·<span·class="overload">[1/2]</span></h2>
  
130 <div·class="memitem">130 <div·class="memitem">
131 <div·class="memproto">131 <div·class="memproto">
132 ······<table·class="memname">132 ······<table·class="memname">
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213 ··<td·class="mlabels-right">213 ··<td·class="mlabels-right">
214 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>214 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
215 ··</tr>215 ··</tr>
216 </table>216 </table>
217 </div><div·class="memdoc">217 </div><div·class="memdoc">
218 <p·>Access·the·optional·data·stored·in·this·message.·The·data·is·stored·as·a·boost::any·to·allow·any·kind·of·data·sets.·</p><dl·class="section·return"><dt>Returns</dt><dd>a·mutable·reference·to·the·data·</dd></dl>218 <p·>Access·the·optional·data·stored·in·this·message.·The·data·is·stored·as·a·boost::any·to·allow·any·kind·of·data·sets.·</p><dl·class="section·return"><dt>Returns</dt><dd>a·mutable·reference·to·the·data·</dd></dl>
  
219 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00115">115</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>219 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00115">115</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
220 </div>220 </div>
221 </div>221 </div>
222 <a·id="a1152b409b964af4299f1d69037006412"·name="a1152b409b964af4299f1d69037006412"></a>222 <a·id="a1152b409b964af4299f1d69037006412"·name="a1152b409b964af4299f1d69037006412"></a>
223 <h2·class="memtitle"><span·class="permalink"><a·href="#a1152b409b964af4299f1d69037006412">&#9670;&nbsp;</a></span>getSender()</h2>223 <h2·class="memtitle"><span·class="permalink"><a·href="#a1152b409b964af4299f1d69037006412">&#9670;&nbsp;</a></span>getSender()</h2>
  
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d5/d54/a07391.html">List·of·all·members</a>··</div>71 <a·href="../../d5/d54/a07391.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::TMutex&lt;·boost::mutex·&gt;·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TMutex&lt;·boost::mutex·&gt;·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../de/db5/a01730_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::TMutex&lt;·boost::mutex·&gt;:</div>77 Inheritance·diagram·for·BALL::TMutex&lt;·boost::mutex·&gt;:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d6/d75/a07394.png"·alt=""/>80 ··<img·src="../../d6/d75/a07394.png"·alt=""/>
81 ·</div></div>81 ·</div></div>
82 <table·class="memberdecls">82 <table·class="memberdecls">
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88 <tr·class="memitem:a9eb22267cf352079bcbb79ac2a36ff1b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d75/a07394.html#a9eb22267cf352079bcbb79ac2a36ff1b">lock</a>·()</td></tr>88 <tr·class="memitem:a9eb22267cf352079bcbb79ac2a36ff1b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d75/a07394.html#a9eb22267cf352079bcbb79ac2a36ff1b">lock</a>·()</td></tr>
89 <tr·class="separator:a9eb22267cf352079bcbb79ac2a36ff1b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a9eb22267cf352079bcbb79ac2a36ff1b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a2fa509640dfd78b5ab9ba05f4d58b198"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d75/a07394.html#a2fa509640dfd78b5ab9ba05f4d58b198">tryLock</a>·()</td></tr>90 <tr·class="memitem:a2fa509640dfd78b5ab9ba05f4d58b198"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d75/a07394.html#a2fa509640dfd78b5ab9ba05f4d58b198">tryLock</a>·()</td></tr>
91 <tr·class="separator:a2fa509640dfd78b5ab9ba05f4d58b198"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a2fa509640dfd78b5ab9ba05f4d58b198"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">mutex.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
97 <a·id="a607bf966bec047137dce3483dd46901a"·name="a607bf966bec047137dce3483dd46901a"></a>97 <a·id="a607bf966bec047137dce3483dd46901a"·name="a607bf966bec047137dce3483dd46901a"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a607bf966bec047137dce3483dd46901a">&#9670;&nbsp;</a></span>TMutex()</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a607bf966bec047137dce3483dd46901a">&#9670;&nbsp;</a></span>TMutex()</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 <table·class="mlabels">101 <table·class="mlabels">
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113 ··</td>113 ··</td>
114 ··<td·class="mlabels-right">114 ··<td·class="mlabels-right">
115 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>115 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
116 ··</tr>116 ··</tr>
117 </table>117 </table>
118 </div><div·class="memdoc">118 </div><div·class="memdoc">
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00156">156</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">mutex.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00156">156</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
  
120 </div>120 </div>
121 </div>121 </div>
122 <h2·class="groupheader">Member·Function·Documentation</h2>122 <h2·class="groupheader">Member·Function·Documentation</h2>
123 <a·id="a9eb22267cf352079bcbb79ac2a36ff1b"·name="a9eb22267cf352079bcbb79ac2a36ff1b"></a>123 <a·id="a9eb22267cf352079bcbb79ac2a36ff1b"·name="a9eb22267cf352079bcbb79ac2a36ff1b"></a>
124 <h2·class="memtitle"><span·class="permalink"><a·href="#a9eb22267cf352079bcbb79ac2a36ff1b">&#9670;&nbsp;</a></span>lock()</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#a9eb22267cf352079bcbb79ac2a36ff1b">&#9670;&nbsp;</a></span>lock()</h2>
  
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141 ··</td>141 ··</td>
142 ··<td·class="mlabels-right">142 ··<td·class="mlabels-right">
143 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>143 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
144 ··</tr>144 ··</tr>
145 </table>145 </table>
146 </div><div·class="memdoc">146 </div><div·class="memdoc">
  
147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00160">160</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">mutex.h</a>.</p>147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00160">160</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
  
148 </div>148 </div>
149 </div>149 </div>
150 <a·id="a2fa509640dfd78b5ab9ba05f4d58b198"·name="a2fa509640dfd78b5ab9ba05f4d58b198"></a>150 <a·id="a2fa509640dfd78b5ab9ba05f4d58b198"·name="a2fa509640dfd78b5ab9ba05f4d58b198"></a>
151 <h2·class="memtitle"><span·class="permalink"><a·href="#a2fa509640dfd78b5ab9ba05f4d58b198">&#9670;&nbsp;</a></span>tryLock()</h2>151 <h2·class="memtitle"><span·class="permalink"><a·href="#a2fa509640dfd78b5ab9ba05f4d58b198">&#9670;&nbsp;</a></span>tryLock()</h2>
  
152 <div·class="memitem">152 <div·class="memitem">
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168 ··</td>168 ··</td>
169 ··<td·class="mlabels-right">169 ··<td·class="mlabels-right">
170 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>170 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
171 ··</tr>171 ··</tr>
172 </table>172 </table>
173 </div><div·class="memdoc">173 </div><div·class="memdoc">
  
174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00165">165</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">mutex.h</a>.</p>174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00165">165</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
  
175 </div>175 </div>
176 </div>176 </div>
177 </div><!--·contents·-->177 </div><!--·contents·-->
178 <!--·start·footer·part·-->178 <!--·start·footer·part·-->
179 <hr·class="footer"/><address·class="footer"><small>179 <hr·class="footer"/><address·class="footer"><small>
180 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4180 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d6/d55/a04603.html">List·of·all·members</a>··</div>71 <a·href="../../d6/d55/a04603.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ProteinIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ProteinIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../df/d91/a00335_source.html">BALL/KERNEL/proteinIterator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d33/a00536_source.html">BALL/KERNEL/proteinIterator.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::ProteinIteratorTraits:</div>77 Inheritance·diagram·for·BALL::ProteinIteratorTraits:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d6/d76/a04606.png"·usemap="#BALL::ProteinIteratorTraits_map"·alt=""/>80 ··<img·src="../../d6/d76/a04606.png"·usemap="#BALL::ProteinIteratorTraits_map"·alt=""/>
81 ··<map·id="BALL::ProteinIteratorTraits_map"·name="BALL::ProteinIteratorTraits_map">81 ··<map·id="BALL::ProteinIteratorTraits_map"·name="BALL::ProteinIteratorTraits_map">
82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>
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185 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<a·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">More...</a><br·/></td></tr>185 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<a·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">More...</a><br·/></td></tr>
186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
187 </table>187 </table>
188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
189 <div·class="textblock"><p·><a·class="el"·href="../../d6/d76/a04606.html">ProteinIteratorTraits</a>·</p>189 <div·class="textblock"><p·><a·class="el"·href="../../d6/d76/a04606.html">ProteinIteratorTraits</a>·</p>
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d91/a00335_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../df/d91/a00335_source.html">proteinIterator.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d33/a00536_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d4/d33/a00536_source.html">proteinIterator.h</a>.</p>
191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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193 <h2·class="memtitle"><span·class="permalink"><a·href="#a44ad6589bc3a32a9d459cbc8391f1bbb">&#9670;&nbsp;</a></span>ProteinIteratorTraits()·<span·class="overload">[1/3]</span></h2>193 <h2·class="memtitle"><span·class="permalink"><a·href="#a44ad6589bc3a32a9d459cbc8391f1bbb">&#9670;&nbsp;</a></span>ProteinIteratorTraits()·<span·class="overload">[1/3]</span></h2>
  
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220 <div·class="memitem">220 <div·class="memitem">
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237 ··</td>237 ··</td>
238 ··<td·class="mlabels-right">238 ··<td·class="mlabels-right">
239 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>239 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
240 ··</tr>240 ··</tr>
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243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d91/a00335_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../df/d91/a00335_source.html">proteinIterator.h</a>.</p>243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d33/a00536_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d4/d33/a00536_source.html">proteinIterator.h</a>.</p>
  
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247 <h2·class="memtitle"><span·class="permalink"><a·href="#a0b6a2c76b77bda9ee42632db69580545">&#9670;&nbsp;</a></span>ProteinIteratorTraits()·<span·class="overload">[3/3]</span></h2>247 <h2·class="memtitle"><span·class="permalink"><a·href="#a0b6a2c76b77bda9ee42632db69580545">&#9670;&nbsp;</a></span>ProteinIteratorTraits()·<span·class="overload">[3/3]</span></h2>
  
248 <div·class="memitem">248 <div·class="memitem">
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275 ··</td>275 ··</td>
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277 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>277 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
278 ··</tr>278 ··</tr>
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282 </div>282 </div>
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310 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d91/a00335_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../df/d91/a00335_source.html">proteinIterator.h</a>.</p>310 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d33/a00536_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d4/d33/a00536_source.html">proteinIterator.h</a>.</p>
  
311 </div>311 </div>
312 </div>312 </div>
313 <a·id="abf42f35ad5aed3ec14369516642b61a1"·name="abf42f35ad5aed3ec14369516642b61a1"></a>313 <a·id="abf42f35ad5aed3ec14369516642b61a1"·name="abf42f35ad5aed3ec14369516642b61a1"></a>
314 <h2·class="memtitle"><span·class="permalink"><a·href="#abf42f35ad5aed3ec14369516642b61a1">&#9670;&nbsp;</a></span>resetPredicate()</h2>314 <h2·class="memtitle"><span·class="permalink"><a·href="#abf42f35ad5aed3ec14369516642b61a1">&#9670;&nbsp;</a></span>resetPredicate()</h2>
  
315 <div·class="memitem">315 <div·class="memitem">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">pyDatasetVector.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">residueTorsions.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
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76 </div>76 </div>
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71 ··<div·class="headertitle"><div·class="title">expressionPredicate.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">nBModel.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d59/a20371_source.html">BALL/QSAR/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d0/dc4/a00443_source.html">BALL/QSAR/bayesModel.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../dd/d63/a00455_source.html">BALL/QSAR/statistics.h</a>&gt;</code><br·/>
75 </div>77 </div>
76 <p><a·href="../../d6/d80/a00371_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d6/d80/a00371_source.html">Go·to·the·source·code·of·this·file.</a></p>
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79 Classes</h2></td></tr>81 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d98/a05782.html">BALL::QSAR::NBModel</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
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71 <a·href="#typedef-members">Typedefs</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">representation.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">colorButton.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d95/a01637_source.html">BALL/CONCEPT/property.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;QtWidgets/QPushButton&gt;</code><br·/>
 76 <code>#include·&lt;QtGui/QColor&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d7/d82/a01601_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d0/df7/a20389_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d7/d29/a01589_source.html">BALL/CONCEPT/molecularInformation.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../da/db7/a01088_source.html">BALL/VIEW/KERNEL/modelInformation.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;<a·class="el"·href="../../dd/d43/a01193_source.html">BALL/VIEW/MODELS/modelProcessor.h</a>&gt;</code><br·/> 
81 <code>#include·&lt;<a·class="el"·href="../../d5/d32/a01214_source.html">BALL/VIEW/MODELS/colorProcessor.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;BALL/VIEW/KERNEL/representation.iC&gt;</code><br·/> 
83 </div>77 </div>
84 <p><a·href="../../d6/d80/a01076_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d6/d80/a01076_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">79 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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95 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>89 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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97 </table><table·class="memberdecls"> 
98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
99 Typedefs</h2></td></tr> 
100 <tr·class="memitem:a4773b4ec1f8307cffbe3ef401244c9f9"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::list&lt;·Representation·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html#a4773b4ec1f8307cffbe3ef401244c9f9">BALL::VIEW::RepresentationList</a></td></tr> 
101 <tr·class="separator:a4773b4ec1f8307cffbe3ef401244c9f9"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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73 <a·href="../../d7/d3e/a08091.html">List·of·all·members</a>··</div>73 <a·href="../../d7/d3e/a08091.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ResidueNameColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ResidueNameColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d1/d35/a01184_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::VIEW::ResidueNameColorProcessor:</div>79 Inheritance·diagram·for·BALL::VIEW::ResidueNameColorProcessor:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d6/d80/a08094.png"·usemap="#BALL::VIEW::ResidueNameColorProcessor_map"·alt=""/>82 ··<img·src="../../d6/d80/a08094.png"·usemap="#BALL::VIEW::ResidueNameColorProcessor_map"·alt=""/>
83 ··<map·id="BALL::VIEW::ResidueNameColorProcessor_map"·name="BALL::VIEW::ResidueNameColorProcessor_map">83 ··<map·id="BALL::VIEW::ResidueNameColorProcessor_map"·name="BALL::VIEW::ResidueNameColorProcessor_map">
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230 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·*·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>230 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·*·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
231 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>231 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
232 </table>232 </table>
233 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>233 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
234 <div·class="textblock"><p·><a·class="el"·href="../../d6/d80/a08094.html">ResidueNameColorProcessor</a>·is·derived·from·the·class·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor</a>.·It·is·used·for·calculating·residue·colors·of·a·given·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object·(A·residue·color·of·a·given·atom·is·the·color·of·the·residue·the·atom·is·contained·in).·In·the·constructor·a·<a·class="el"·href="../../d2/d57/a07458.html">ColorMap</a>·is·initialized·that·contains·all·colors·corresponding·to·the·names·of·the·residues.·</p>234 <div·class="textblock"><p·><a·class="el"·href="../../d6/d80/a08094.html">ResidueNameColorProcessor</a>·is·derived·from·the·class·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor</a>.·It·is·used·for·calculating·residue·colors·of·a·given·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object·(A·residue·color·of·a·given·atom·is·the·color·of·the·residue·the·atom·is·contained·in).·In·the·constructor·a·<a·class="el"·href="../../d2/d57/a07458.html">ColorMap</a>·is·initialized·that·contains·all·colors·corresponding·to·the·names·of·the·residues.·</p>
  
235 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00222">222</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>235 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00222">222</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
236 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>236 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
237 <a·id="abb880fda481b297ce6f30452a2586153"·name="abb880fda481b297ce6f30452a2586153"></a>237 <a·id="abb880fda481b297ce6f30452a2586153"·name="abb880fda481b297ce6f30452a2586153"></a>
238 <h2·class="memtitle"><span·class="permalink"><a·href="#abb880fda481b297ce6f30452a2586153">&#9670;&nbsp;</a></span>ResidueNameColorProcessor()</h2>238 <h2·class="memtitle"><span·class="permalink"><a·href="#abb880fda481b297ce6f30452a2586153">&#9670;&nbsp;</a></span>ResidueNameColorProcessor()</h2>
  
239 <div·class="memitem">239 <div·class="memitem">
240 <div·class="memproto">240 <div·class="memproto">
241 ······<table·class="memname">241 ······<table·class="memname">
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340 ··</td>340 ··</td>
341 ··<td·class="mlabels-right">341 ··<td·class="mlabels-right">
342 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>342 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
343 ··</tr>343 ··</tr>
344 </table>344 </table>
345 </div><div·class="memdoc">345 </div><div·class="memdoc">
  
346 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00242">242</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>346 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00242">242</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
347 </div>347 </div>
348 </div>348 </div>
349 <a·id="a1dd36a1a079b6dfec3f7935cff5126e1"·name="a1dd36a1a079b6dfec3f7935cff5126e1"></a>349 <a·id="a1dd36a1a079b6dfec3f7935cff5126e1"·name="a1dd36a1a079b6dfec3f7935cff5126e1"></a>
350 <h2·class="memtitle"><span·class="permalink"><a·href="#a1dd36a1a079b6dfec3f7935cff5126e1">&#9670;&nbsp;</a></span>getColorMap()·<span·class="overload">[2/2]</span></h2>350 <h2·class="memtitle"><span·class="permalink"><a·href="#a1dd36a1a079b6dfec3f7935cff5126e1">&#9670;&nbsp;</a></span>getColorMap()·<span·class="overload">[2/2]</span></h2>
  
351 <div·class="memitem">351 <div·class="memitem">
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367 ··</td>367 ··</td>
368 ··<td·class="mlabels-right">368 ··<td·class="mlabels-right">
369 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>369 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
370 ··</tr>370 ··</tr>
371 </table>371 </table>
372 </div><div·class="memdoc">372 </div><div·class="memdoc">
  
373 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00245">245</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>373 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00245">245</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
374 </div>374 </div>
375 </div>375 </div>
376 <a·id="a0f7e1906bd729119bb8a3009b5c1ab17"·name="a0f7e1906bd729119bb8a3009b5c1ab17"></a>376 <a·id="a0f7e1906bd729119bb8a3009b5c1ab17"·name="a0f7e1906bd729119bb8a3009b5c1ab17"></a>
377 <h2·class="memtitle"><span·class="permalink"><a·href="#a0f7e1906bd729119bb8a3009b5c1ab17">&#9670;&nbsp;</a></span>setTransparency()</h2>377 <h2·class="memtitle"><span·class="permalink"><a·href="#a0f7e1906bd729119bb8a3009b5c1ab17">&#9670;&nbsp;</a></span>setTransparency()</h2>
  
378 <div·class="memitem">378 <div·class="memitem">
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421 ··</td>421 ··</td>
422 ··<td·class="mlabels-right">422 ··<td·class="mlabels-right">
423 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>423 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
424 ··</tr>424 ··</tr>
425 </table>425 </table>
426 </div><div·class="memdoc">426 </div><div·class="memdoc">
  
427 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00248">248</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>427 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00248">248</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
428 </div>428 </div>
429 </div>429 </div>
430 <a·id="aa5323770b278517ecbcaaa568c60142c"·name="aa5323770b278517ecbcaaa568c60142c"></a>430 <a·id="aa5323770b278517ecbcaaa568c60142c"·name="aa5323770b278517ecbcaaa568c60142c"></a>
431 <h2·class="memtitle"><span·class="permalink"><a·href="#aa5323770b278517ecbcaaa568c60142c">&#9670;&nbsp;</a></span>dummy_residue</h2>431 <h2·class="memtitle"><span·class="permalink"><a·href="#aa5323770b278517ecbcaaa568c60142c">&#9670;&nbsp;</a></span>dummy_residue</h2>
  
432 <div·class="memitem">432 <div·class="memitem">
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445 ··</td>445 ··</td>
446 ··<td·class="mlabels-right">446 ··<td·class="mlabels-right">
447 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>447 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d4/d47/a08147.html">List·of·all·members</a>··</div>71 <a·href="../../d4/d47/a08147.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ConfigDialog·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ConfigDialog·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/VIEW/PLUGIN/VIEWPlugin.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../db/d17/a01148_source.html">BALL/VIEW/PLUGIN/VIEWPlugin.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::ConfigDialog:</div>77 Inheritance·diagram·for·BALL::VIEW::ConfigDialog:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d6/d80/a08150.png"·usemap="#BALL::VIEW::ConfigDialog_map"·alt=""/>80 ··<img·src="../../d6/d80/a08150.png"·usemap="#BALL::VIEW::ConfigDialog_map"·alt=""/>
81 ··<map·id="BALL::VIEW::ConfigDialog_map"·name="BALL::VIEW::ConfigDialog_map">81 ··<map·id="BALL::VIEW::ConfigDialog_map"·name="BALL::VIEW::ConfigDialog_map">
82 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,186,24"/>82 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,186,24"/>
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176 <tr·class="memitem:afcd01733c038e845ad6fb5e284e89238·inherit·pro_attribs_a07926"><td·class="memItemLeft"·align="right"·valign="top">QStackedWidget·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#afcd01733c038e845ad6fb5e284e89238">widget_stack_</a></td></tr>176 <tr·class="memitem:afcd01733c038e845ad6fb5e284e89238·inherit·pro_attribs_a07926"><td·class="memItemLeft"·align="right"·valign="top">QStackedWidget·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#afcd01733c038e845ad6fb5e284e89238">widget_stack_</a></td></tr>
177 <tr·class="separator:afcd01733c038e845ad6fb5e284e89238·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>177 <tr·class="separator:afcd01733c038e845ad6fb5e284e89238·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
178 <tr·class="memitem:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d3d/a07926.html#a257b5f0e49b1f24294c315d4d7363693">StackPages</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ab7942bdf4c88f10d41eec3aa452bbed5">stack_pages_</a></td></tr>178 <tr·class="memitem:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d3d/a07926.html#a257b5f0e49b1f24294c315d4d7363693">StackPages</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ab7942bdf4c88f10d41eec3aa452bbed5">stack_pages_</a></td></tr>
179 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>179 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
180 </table>180 </table>
181 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>181 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
182 <div·class="textblock">182 <div·class="textblock">
183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">VIEWPlugin.h</a>.</p>183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d17/a01148_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../db/d17/a01148_source.html">VIEWPlugin.h</a>.</p>
184 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>184 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
185 <a·id="a5c5bb636ad3fe168afe8c5321ee1db2e"·name="a5c5bb636ad3fe168afe8c5321ee1db2e"></a>185 <a·id="a5c5bb636ad3fe168afe8c5321ee1db2e"·name="a5c5bb636ad3fe168afe8c5321ee1db2e"></a>
186 <h2·class="memtitle"><span·class="permalink"><a·href="#a5c5bb636ad3fe168afe8c5321ee1db2e">&#9670;&nbsp;</a></span>ConfigDialog()</h2>186 <h2·class="memtitle"><span·class="permalink"><a·href="#a5c5bb636ad3fe168afe8c5321ee1db2e">&#9670;&nbsp;</a></span>ConfigDialog()</h2>
  
187 <div·class="memitem">187 <div·class="memitem">
188 <div·class="memproto">188 <div·class="memproto">
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212 ··</td>212 ··</td>
213 ··<td·class="mlabels-right">213 ··<td·class="mlabels-right">
214 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>214 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
215 ··</tr>215 ··</tr>
216 </table>216 </table>
217 </div><div·class="memdoc">217 </div><div·class="memdoc">
  
218 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">VIEWPlugin.h</a>.</p>218 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d17/a01148_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../db/d17/a01148_source.html">VIEWPlugin.h</a>.</p>
  
219 </div>219 </div>
220 </div>220 </div>
221 <a·id="a7a0b07e4798d0c8f6e96a22540fcca2a"·name="a7a0b07e4798d0c8f6e96a22540fcca2a"></a>221 <a·id="a7a0b07e4798d0c8f6e96a22540fcca2a"·name="a7a0b07e4798d0c8f6e96a22540fcca2a"></a>
222 <h2·class="memtitle"><span·class="permalink"><a·href="#a7a0b07e4798d0c8f6e96a22540fcca2a">&#9670;&nbsp;</a></span>~ConfigDialog()</h2>222 <h2·class="memtitle"><span·class="permalink"><a·href="#a7a0b07e4798d0c8f6e96a22540fcca2a">&#9670;&nbsp;</a></span>~ConfigDialog()</h2>
  
223 <div·class="memitem">223 <div·class="memitem">
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239 ··</td>239 ··</td>
240 ··<td·class="mlabels-right">240 ··<td·class="mlabels-right">
241 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>241 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
242 ··</tr>242 ··</tr>
243 </table>243 </table>
244 </div><div·class="memdoc">244 </div><div·class="memdoc">
  
245 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">VIEWPlugin.h</a>.</p>245 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d17/a01148_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../db/d17/a01148_source.html">VIEWPlugin.h</a>.</p>
  
246 </div>246 </div>
247 </div>247 </div>
248 </div><!--·contents·-->248 </div><!--·contents·-->
249 <!--·start·footer·part·-->249 <!--·start·footer·part·-->
250 <hr·class="footer"/><address·class="footer"><small>250 <hr·class="footer"/><address·class="footer"><small>
251 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4251 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 ··<div·class="headertitle"><div·class="title">rescoring3D.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">sphere3.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d5e/a00275_source.html">BALL/SCORING/FUNCTIONS/rescoring.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;iostream&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/d29/a01895_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d9/d39/a00257_source.html">BALL/MATHS/plane3.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
76 </div>77 </div>
77 <p><a·href="../../d6/d82/a00293_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d6/d82/a00293_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">79 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>81 Classes</h2></td></tr>
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85 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
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 90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Storers</h2></td></tr>
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 94 <tr·class="memitem:ga658cca7bdcf3610107c050091491d04b"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga658cca7bdcf3610107c050091491d04b">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·TSphere3&lt;·T·&gt;·&amp;sphere)</td></tr>
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 96 <tr·class="memitem:ga73c09b993f6a16c37c9031b8aecb9175"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr>
 97 <tr·class="memitem:ga73c09b993f6a16c37c9031b8aecb9175"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga73c09b993f6a16c37c9031b8aecb9175">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·TSphere3&lt;·T·&gt;·&amp;sphere)</td></tr>
 98 <tr·class="separator:ga73c09b993f6a16c37c9031b8aecb9175"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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72 ··<div·class="headertitle"><div·class="title">snapShot.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">KCFFile.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
76 </div>76 </div>
77 <p><a·href="../../d6/d82/a00920_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d6/d82/a00920_source.html">Go·to·the·source·code·of·this·file.</a></p>
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81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da9/a05110.html">BALL::SnapShot</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dfb/a03946.html">BALL::KCFFile</a></td></tr>
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89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
90 Functions</h2></td></tr> 
91 <tr·class="memitem:a8f0e9219936d27f6b6f801ceccec4263"><td·class="memItemLeft"·align="right"·valign="top">::std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a8f0e9219936d27f6b6f801ceccec4263">BALL::operator&lt;&lt;</a>·(::std::ostream·&amp;os,·const·SnapShot·&amp;ss)</td></tr> 
92 <tr·class="memdesc:a8f0e9219936d27f6b6f801ceccec4263"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Output·stream·operator·for·SnapShots.··<a·href="../../da/da2/a02217.html#a8f0e9219936d27f6b6f801ceccec4263">More...</a><br·/></td></tr> 
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95 <tr·class="memdesc:ab593014d55b641996644525825ed2ce7"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Input·stream·operator·for·SnapShots.··<a·href="../../da/da2/a02217.html#ab593014d55b641996644525825ed2ce7">More...</a><br·/></td></tr> 
96 <tr·class="separator:ab593014d55b641996644525825ed2ce7"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 </table>88 </table>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>
65 </div>65 </div>
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d2/d2f/a01586_source.html">BALL/DOCKING/COMMON/conformationSet.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d5/df4/a01322_source.html">BALL/VIEW/DIALOGS/amberConfigurationDialog.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d4/d34/a01298_source.html">BALL/VIEW/DIALOGS/minimizationDialog.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d4/d20/a01421_source.html">BALL/VIEW/DIALOGS/molecularDynamicsDialog.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../d9/de4/a01346_source.html">BALL/VIEW/DIALOGS/charmmConfigurationDialog.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;<a·class="el"·href="../../d3/da4/a01343_source.html">BALL/VIEW/DIALOGS/MMFF94ConfigurationDialog.h</a>&gt;</code><br·/> 
81 <code>#include·&lt;<a·class="el"·href="../../d5/da7/a01283_source.html">BALL/VIEW/DIALOGS/assignBondOrderConfigurationDialog.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../d0/d85/a01352_source.html">BALL/VIEW/DIALOGS/assignBondOrderResultsDialog.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d8/d0d/a01280_source.html">BALL/VIEW/DIALOGS/generateCrystalDialog.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../dc/d92/a00929_source.html">BALL/MOLMEC/AMBER/amber.h</a>&gt;</code><br·/>78 <code>#include·&lt;<a·class="el"·href="../../d4/dfa/a00746_source.html">BALL/SYSTEM/timer.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../dc/d6e/a00833_source.html">BALL/MOLMEC/CHARMM/charmm.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../db/d40/a00959_source.html">BALL/MOLMEC/MMFF94/MMFF94.h</a>&gt;</code><br·/>79 <code>#include·&lt;<a·class="el"·href="../../de/d40/a01592_source.html">BALL/DOCKING/COMMON/constraints.h</a>&gt;</code><br·/>
87 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/> 
88 </div>80 </div>
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74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d82/a01601_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d3/da1/a01613_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d4/d99/a01634_source.html">BALL/CONCEPT/textPersistenceManager.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../dc/df9/a00554_source.html">BALL/KERNEL/expression.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d1/d46/a01739_source.html">BALL/SYSTEM/networking.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
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78 <code>#include·&lt;vector&gt;</code><br·/>80 <code>#include·&lt;list&gt;</code><br·/>
79 </div>81 </div>
80 <p><a·href="../../d6/d82/a01607_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../d6/d82/a01607_source.html">Go·to·the·source·code·of·this·file.</a></p>
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/df7/a20389_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
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 77 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
76 <code>#include·&lt;QtWidgets/QTableView&gt;</code><br·/> 
77 <code>#include·&lt;QtWidgets/QItemDelegate&gt;</code><br·/> 
78 <code>#include·&lt;QtWidgets/QPushButton&gt;</code><br·/> 
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 85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/da0/a03742.html">BALL::EvolutionaryDocking::Option</a></td></tr>
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86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7b/a08550.html">BALL::VIEW::ShortcutTableModel</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d4f/a03746.html">BALL::EvolutionaryDocking::Default</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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90 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 </table>94 </table>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d6/dfa/a07511.html">List·of·all·members</a>··</div>70 <a·href="../../d6/dfa/a07511.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Vertex2·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../d0/d9d/a02202.html">Helper·Base·Classes·for·derived·GeometricObject·'s</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Vertex2·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../d0/d9d/a02202.html">Helper·Base·Classes·for·derived·GeometricObject·'s</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/DATATYPE/vertex2.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../de/d5c/a01358_source.html">BALL/VIEW/DATATYPE/vertex2.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::Vertex2:</div>76 Inheritance·diagram·for·BALL::VIEW::Vertex2:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d6/d83/a07514.png"·usemap="#BALL::VIEW::Vertex2_map"·alt=""/>79 ··<img·src="../../d6/d83/a07514.png"·usemap="#BALL::VIEW::Vertex2_map"·alt=""/>
80 ··<map·id="BALL::VIEW::Vertex2_map"·name="BALL::VIEW::Vertex2_map">80 ··<map·id="BALL::VIEW::Vertex2_map"·name="BALL::VIEW::Vertex2_map">
81 <area·href="../../d3/d4c/a08174.html"·alt="BALL::VIEW::Line"·shape="rect"·coords="0,56,182,80"/>81 <area·href="../../d3/d4c/a08174.html"·alt="BALL::VIEW::Line"·shape="rect"·coords="0,56,182,80"/>
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167 <tr·class="separator:ad98802e658eed2c138ac21db9574c318"><td·class="memSeparator"·colspan="2">&#160;</td></tr>167 <tr·class="separator:ad98802e658eed2c138ac21db9574c318"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
168 <tr·class="memitem:ab8b17878311b121da64370a3d6f188bb"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d83/a07514.html#ab8b17878311b121da64370a3d6f188bb">dump</a>·(std::ostream·&amp;s=std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0)·const</td></tr>168 <tr·class="memitem:ab8b17878311b121da64370a3d6f188bb"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d83/a07514.html#ab8b17878311b121da64370a3d6f188bb">dump</a>·(std::ostream·&amp;s=std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0)·const</td></tr>
169 <tr·class="separator:ab8b17878311b121da64370a3d6f188bb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>169 <tr·class="separator:ab8b17878311b121da64370a3d6f188bb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
170 </table>170 </table>
171 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>171 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
172 <div·class="textblock"><p·><a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>·is·a·base·class·for·all·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·'s·that·have·two·vertices.·It·provides·the·derived·class·with·methods·for·accessing·that·vertices.·Further·there·is·the·possibility·to·give·an·address·to·a·Vector3·as·vertice.·So·if·the·values·of·these·given·vectors·changes,·the·values·of·the·vectors·changes·as·well.·To·avoid·segmentation·faults·these·vector·addresses·must·be·valid·as·long·as·the·<a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>·exists.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>172 <div·class="textblock"><p·><a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>·is·a·base·class·for·all·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·'s·that·have·two·vertices.·It·provides·the·derived·class·with·methods·for·accessing·that·vertices.·Further·there·is·the·possibility·to·give·an·address·to·a·Vector3·as·vertice.·So·if·the·values·of·these·given·vectors·changes,·the·values·of·the·vectors·changes·as·well.·To·avoid·segmentation·faults·these·vector·addresses·must·be·valid·as·long·as·the·<a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>·exists.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">vertex2.h</a>.</p>173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d5c/a01358_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../de/d5c/a01358_source.html">vertex2.h</a>.</p>
174 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>174 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
175 <a·id="a492795bd02b5ff8c6a2829aed4920d04"·name="a492795bd02b5ff8c6a2829aed4920d04"></a>175 <a·id="a492795bd02b5ff8c6a2829aed4920d04"·name="a492795bd02b5ff8c6a2829aed4920d04"></a>
176 <h2·class="memtitle"><span·class="permalink"><a·href="#a492795bd02b5ff8c6a2829aed4920d04">&#9670;&nbsp;</a></span>Vertex2()·<span·class="overload">[1/2]</span></h2>176 <h2·class="memtitle"><span·class="permalink"><a·href="#a492795bd02b5ff8c6a2829aed4920d04">&#9670;&nbsp;</a></span>Vertex2()·<span·class="overload">[1/2]</span></h2>
  
177 <div·class="memitem">177 <div·class="memitem">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../de/d55/a07443.html">List·of·all·members</a>··</div>70 <a·href="../../de/d55/a07443.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorExtension2·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../d0/d9d/a02202.html">Helper·Base·Classes·for·derived·GeometricObject·'s</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorExtension2·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../d0/d9d/a02202.html">Helper·Base·Classes·for·derived·GeometricObject·'s</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d1/dde/a01496_source.html">BALL/VIEW/DATATYPE/colorExtensions.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d8/dbe/a01370_source.html">BALL/VIEW/DATATYPE/colorExtensions.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::ColorExtension2:</div>76 Inheritance·diagram·for·BALL::VIEW::ColorExtension2:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d6/d89/a07446.png"·usemap="#BALL::VIEW::ColorExtension2_map"·alt=""/>79 ··<img·src="../../d6/d89/a07446.png"·usemap="#BALL::VIEW::ColorExtension2_map"·alt=""/>
80 ··<map·id="BALL::VIEW::ColorExtension2_map"·name="BALL::VIEW::ColorExtension2_map">80 ··<map·id="BALL::VIEW::ColorExtension2_map"·name="BALL::VIEW::ColorExtension2_map">
81 <area·href="../../dd/da2/a08210.html"·alt="BALL::VIEW::TwoColoredLine"·shape="rect"·coords="0,56,182,80"/>81 <area·href="../../dd/da2/a08210.html"·alt="BALL::VIEW::TwoColoredLine"·shape="rect"·coords="0,56,182,80"/>
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117 <tr·class="separator:a483ff1cc1501ea74626edb9a00c497a2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>117 <tr·class="separator:a483ff1cc1501ea74626edb9a00c497a2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
118 </table>118 </table>
119 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>119 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
120 <div·class="textblock"><p·>Base·class·for·geometric·objects·that·need·two·colors.·It·provides·the·derived·class·with·methods·for·accessing·these·colors.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·</dd>120 <div·class="textblock"><p·>Base·class·for·geometric·objects·that·need·two·colors.·It·provides·the·derived·class·with·methods·for·accessing·these·colors.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·</dd>
121 <dd>121 <dd>
122 <a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·</dd></dl>122 <a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·</dd></dl>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dde/a01496_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d1/dde/a01496_source.html">colorExtensions.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbe/a01370_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d8/dbe/a01370_source.html">colorExtensions.h</a>.</p>
124 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>124 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
125 <a·id="a0c0526f561d1df5b03ad9b08e1957f22"·name="a0c0526f561d1df5b03ad9b08e1957f22"></a>125 <a·id="a0c0526f561d1df5b03ad9b08e1957f22"·name="a0c0526f561d1df5b03ad9b08e1957f22"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a0c0526f561d1df5b03ad9b08e1957f22">&#9670;&nbsp;</a></span>ColorExtension2()·<span·class="overload">[1/2]</span></h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a0c0526f561d1df5b03ad9b08e1957f22">&#9670;&nbsp;</a></span>ColorExtension2()·<span·class="overload">[1/2]</span></h2>
  
127 <div·class="memitem">127 <div·class="memitem">
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8 <title>BALL:·lennardJones.h·File·Reference</title>8 <title>BALL:·enumerator.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">lennardJones.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">enumerator.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d00/a00113_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d8/db7/a00812_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d4/d2a/a00632_source.html">BALL/COMMON/rtti.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d3/d13/a00836_source.html">BALL/CONCEPT/forwardIterator.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;vector&gt;</code><br·/>
 79 <code>#include·&lt;list&gt;</code><br·/>
 80 <code>#include·&lt;algorithm&gt;</code><br·/>
 81 <code>#include·&lt;BALL/CONCEPT/enumerator.iC&gt;</code><br·/>
76 </div>82 </div>
77 <p><a·href="../../d6/d8b/a00821_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d6/d8b/a00821_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">84 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="headertitle"><div·class="title">structure.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">connectionObject.h·File·Reference</div></div>
69 </div><!--header-->72 </div><!--header-->
70 <div·class="contents">73 <div·class="contents">
71 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d9e/a00569_source.html">BALL/STRUCTURE/analyticalSES.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d1c/a00605_source.html">BALL/COMMON/macros.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;BALL/VIEW/KERNEL/connectionObject.iC&gt;</code><br·/>
72 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00578_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code><br·/> 
73 <code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/STRUCTURE/fragmentDB.h</a>&gt;</code><br·/> 
74 <code>#include·&lt;<a·class="el"·href="../../dd/d57/a00701_source.html">BALL/STRUCTURE/geometricProperties.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../d5/dae/a00767_source.html">BALL/STRUCTURE/geometricTransformations.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/STRUCTURE/numericalSAS.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../df/dbb/a00698_source.html">BALL/STRUCTURE/residueChecker.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d3/d4f/a00761_source.html">BALL/STRUCTURE/rotamerLibrary.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../d5/d8a/a00599_source.html">BALL/STRUCTURE/structureMapper.h</a>&gt;</code><br·/> 
80 </div>76 </div>
81 <p><a·href="../../d6/d8d/a01007_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d6/d8d/a01007_source.html">Go·to·the·source·code·of·this·file.</a></p>
 78 <table·class="memberdecls">
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 80 Classes</h2></td></tr>
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 82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 83 </table><table·class="memberdecls">
 84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
 85 Namespaces</h2></td></tr>
 86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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 90 </table>
82 </div><!--·contents·-->91 </div><!--·contents·-->
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../dc/dc1/a03263.html">List·of·all·members</a>··</div>71 <a·href="../../dc/dc1/a03263.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::EnumeratorIndex·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::EnumeratorIndex·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dd/deb/a01628_source.html">BALL/CONCEPT/enumerator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d8b/a00821_source.html">BALL/CONCEPT/enumerator.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::EnumeratorIndex:</div>77 Inheritance·diagram·for·BALL::EnumeratorIndex:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d6/d8d/a03266.png"·alt=""/>80 ··<img·src="../../d6/d8d/a03266.png"·alt=""/>
81 ·</div></div>81 ·</div></div>
82 <table·class="memberdecls">82 <table·class="memberdecls">
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135 <tr·class="separator:afb03b9fd916fbe9a9a5b624ab59191b6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>135 <tr·class="separator:afb03b9fd916fbe9a9a5b624ab59191b6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
136 <tr·class="memitem:a1900ba6876bf573a0dd3ce43120b2696"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d8d/a03266.html#a1900ba6876bf573a0dd3ce43120b2696">operator&lt;=</a>·(const·<a·class="el"·href="../../d6/d8d/a03266.html">EnumeratorIndex</a>·&amp;rhs)·const</td></tr>136 <tr·class="memitem:a1900ba6876bf573a0dd3ce43120b2696"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d8d/a03266.html#a1900ba6876bf573a0dd3ce43120b2696">operator&lt;=</a>·(const·<a·class="el"·href="../../d6/d8d/a03266.html">EnumeratorIndex</a>·&amp;rhs)·const</td></tr>
137 <tr·class="separator:a1900ba6876bf573a0dd3ce43120b2696"><td·class="memSeparator"·colspan="2">&#160;</td></tr>137 <tr·class="separator:a1900ba6876bf573a0dd3ce43120b2696"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
138 </table>138 </table>
139 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>139 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
140 <div·class="textblock"><p·><a·class="el"·href="../../d6/d8d/a03266.html">EnumeratorIndex</a>·class.·The·<a·class="el"·href="../../da/deb/a03274.html">Enumerator</a>·class·provides·a·means·for·enumerating·all·possible·combinations·of·objects.·The·counting·is·hereby·done·by·the·<a·class="el"·href="../../d6/d8d/a03266.html">EnumeratorIndex</a>·class.·This·class·is·derived·from·vector·and·additionally·contains·two·vectors·of·the·same·size·which·hold·the·modulus·and·the·base·for·each·digit.·The·values·of·the·<a·class="el"·href="../../d6/d8d/a03266.html">EnumeratorIndex</a>·vector·itself·are·interpreted·as·an·inhomogenous·number·consisting·of·digits·that·have·different·bases.·The·bases·are·the·numbers·of·possibilities·for·each·variant·in·the·list.·Most·significant·component·is·operator·[]·(0),·so·incrementing·starts·at·operator·[]·(size()·-·1)·</p><dl·class="section·user"><dt></dt><dd></dd></dl>140 <div·class="textblock"><p·><a·class="el"·href="../../d6/d8d/a03266.html">EnumeratorIndex</a>·class.·The·<a·class="el"·href="../../da/deb/a03274.html">Enumerator</a>·class·provides·a·means·for·enumerating·all·possible·combinations·of·objects.·The·counting·is·hereby·done·by·the·<a·class="el"·href="../../d6/d8d/a03266.html">EnumeratorIndex</a>·class.·This·class·is·derived·from·vector·and·additionally·contains·two·vectors·of·the·same·size·which·hold·the·modulus·and·the·base·for·each·digit.·The·values·of·the·<a·class="el"·href="../../d6/d8d/a03266.html">EnumeratorIndex</a>·vector·itself·are·interpreted·as·an·inhomogenous·number·consisting·of·digits·that·have·different·bases.·The·bases·are·the·numbers·of·possibilities·for·each·variant·in·the·list.·Most·significant·component·is·operator·[]·(0),·so·incrementing·starts·at·operator·[]·(size()·-·1)·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/deb/a01628_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../dd/deb/a01628_source.html">enumerator.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8b/a00821_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d6/d8b/a00821_source.html">enumerator.h</a>.</p>
142 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>142 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
143 <a·id="a6c25610ea04e155e078bb9cbc20f4a2e"·name="a6c25610ea04e155e078bb9cbc20f4a2e"></a>143 <a·id="a6c25610ea04e155e078bb9cbc20f4a2e"·name="a6c25610ea04e155e078bb9cbc20f4a2e"></a>
144 <h2·class="memtitle"><span·class="permalink"><a·href="#a6c25610ea04e155e078bb9cbc20f4a2e">&#9670;&nbsp;</a></span>EnumeratorIndex()·<span·class="overload">[1/2]</span></h2>144 <h2·class="memtitle"><span·class="permalink"><a·href="#a6c25610ea04e155e078bb9cbc20f4a2e">&#9670;&nbsp;</a></span>EnumeratorIndex()·<span·class="overload">[1/2]</span></h2>
  
145 <div·class="memitem">145 <div·class="memitem">
146 <div·class="memproto">146 <div·class="memproto">
147 ······<table·class="memname">147 ······<table·class="memname">
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179 <p·>Detailed·Constructor·</p><dl·class="params"><dt>Parameters</dt><dd>179 <p·>Detailed·Constructor·</p><dl·class="params"><dt>Parameters</dt><dd>
180 ··<table·class="params">180 ··<table·class="params">
181 ····<tr><td·class="paramname">variant_list</td><td>the·list·of·variants·to·be·applied·</td></tr>181 ····<tr><td·class="paramname">variant_list</td><td>the·list·of·variants·to·be·applied·</td></tr>
182 ··</table>182 ··</table>
183 ··</dd>183 ··</dd>
184 </dl>184 </dl>
  
185 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/deb/a01628_source.html#l00210">210</a>·of·file·<a·class="el"·href="../../dd/deb/a01628_source.html">enumerator.h</a>.</p>185 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8b/a00821_source.html#l00210">210</a>·of·file·<a·class="el"·href="../../d6/d8b/a00821_source.html">enumerator.h</a>.</p>
  
186 </div>186 </div>
187 </div>187 </div>
188 <a·id="a50b29ebbe12a3eee171b5eb72bd055bc"·name="a50b29ebbe12a3eee171b5eb72bd055bc"></a>188 <a·id="a50b29ebbe12a3eee171b5eb72bd055bc"·name="a50b29ebbe12a3eee171b5eb72bd055bc"></a>
189 <h2·class="memtitle"><span·class="permalink"><a·href="#a50b29ebbe12a3eee171b5eb72bd055bc">&#9670;&nbsp;</a></span>~EnumeratorIndex()</h2>189 <h2·class="memtitle"><span·class="permalink"><a·href="#a50b29ebbe12a3eee171b5eb72bd055bc">&#9670;&nbsp;</a></span>~EnumeratorIndex()</h2>
  
190 <div·class="memitem">190 <div·class="memitem">
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456 ··········<td·class="paramname"><em>variant_list</em></td><td>)</td>456 ··········<td·class="paramname"><em>variant_list</em></td><td>)</td>
457 ··········<td></td>457 ··········<td></td>
458 ········</tr>458 ········</tr>
459 ······</table>459 ······</table>
460 </div><div·class="memdoc">460 </div><div·class="memdoc">
461 <p·>Assignment·operator·for·a·variant·list.·</p>461 <p·>Assignment·operator·for·a·variant·list.·</p>
  
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;Eigen/Core&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/def/a01985_source.html">BALL/SCORING/COMMON/gridBasedScoring.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d3/d8b/a00059_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>
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77 <p><a·href="../../d6/d8e/a01979_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d6/d8e/a01979_source.html">Go·to·the·source·code·of·this·file.</a></p>
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73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
  
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/de7/a02030_source.html">BALL/QSAR/modelFactory.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;map&gt;</code><br·/> 
77 </div> 
78 <p><a·href="../../d6/d90/a01964_source.html">Go·to·the·source·code·of·this·file.</a></p>74 <p><a·href="../../d6/d90/a01964_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">75 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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88 Namespaces</h2></td></tr>82 Namespaces</h2></td></tr>
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90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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98 <tr·class="memitem:a98a0b884ad880ef1a16900568f915de8"><td·class="memItemLeft"·align="right"·valign="top">typedef·Model·*(*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html#a98a0b884ad880ef1a16900568f915de8">BALL::QSAR::CreateKernel1</a>)·(const·QSARData·&amp;q,·int·k,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·p1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·p2)</td></tr> 
99 <tr·class="separator:a98a0b884ad880ef1a16900568f915de8"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
100 <tr·class="memitem:ac2706f0008cc37e3d8b27b4367f42d01"><td·class="memItemLeft"·align="right"·valign="top">typedef·Model·*(*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html#ac2706f0008cc37e3d8b27b4367f42d01">BALL::QSAR::CreateKernel2</a>)·(const·QSARData·&amp;q,·String·s1,·String·s2)</td></tr> 
101 <tr·class="separator:ac2706f0008cc37e3d8b27b4367f42d01"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 <tr·class="memitem:a902e129d9a27e5115d592534fe7d776d"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::map&lt;·int,·RegistryEntry·&gt;::iterator&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html#a902e129d9a27e5115d592534fe7d776d">BALL::QSAR::RegistryEntryIterator</a></td></tr> 
103 <tr·class="separator:a902e129d9a27e5115d592534fe7d776d"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
104 </table>85 </table>
105 </div><!--·contents·-->86 </div><!--·contents·-->
106 <!--·start·footer·part·-->87 <!--·start·footer·part·-->
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71 ··<div·class="headertitle"><div·class="title">BALL::MoleculeObjectCreator·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::MoleculeObjectCreator·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d1/d3a/a01622_source.html">BALL/CONCEPT/moleculeObjectCreator.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d8/db7/a00812_source.html">BALL/CONCEPT/moleculeObjectCreator.h</a>&gt;</code></p>
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77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d6/d90/a03298.png"·usemap="#BALL::MoleculeObjectCreator_map"·alt=""/>79 ··<img·src="../../d6/d90/a03298.png"·usemap="#BALL::MoleculeObjectCreator_map"·alt=""/>
80 ··<map·id="BALL::MoleculeObjectCreator_map"·name="BALL::MoleculeObjectCreator_map">80 ··<map·id="BALL::MoleculeObjectCreator_map"·name="BALL::MoleculeObjectCreator_map">
81 <area·href="../../dd/d7a/a03306.html"·alt="BALL::ObjectCreator"·shape="rect"·coords="0,0,181,24"/>81 <area·href="../../dd/d7a/a03306.html"·alt="BALL::ObjectCreator"·shape="rect"·coords="0,0,181,24"/>
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105 <tr·class="separator:a1f2e6b0b7876763e2ed1c00ae06c8c98·inherit·pub_methods_a03306"><td·class="memSeparator"·colspan="2">&#160;</td></tr>105 <tr·class="separator:a1f2e6b0b7876763e2ed1c00ae06c8c98·inherit·pub_methods_a03306"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
106 <tr·class="memitem:a510f3b1b04441cd9b9cedfb7a0ea3664·inherit·pub_methods_a03306"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d7a/a03306.html#a510f3b1b04441cd9b9cedfb7a0ea3664">operator()</a>·(<a·class="el"·href="../../d6/d49/a07398.html">TCPIOStream</a>·&amp;tcp_iostream)</td></tr>106 <tr·class="memitem:a510f3b1b04441cd9b9cedfb7a0ea3664·inherit·pub_methods_a03306"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d7a/a03306.html#a510f3b1b04441cd9b9cedfb7a0ea3664">operator()</a>·(<a·class="el"·href="../../d6/d49/a07398.html">TCPIOStream</a>·&amp;tcp_iostream)</td></tr>
107 <tr·class="separator:a510f3b1b04441cd9b9cedfb7a0ea3664·inherit·pub_methods_a03306"><td·class="memSeparator"·colspan="2">&#160;</td></tr>107 <tr·class="separator:a510f3b1b04441cd9b9cedfb7a0ea3664·inherit·pub_methods_a03306"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
108 </table>108 </table>
109 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>109 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
110 <div·class="textblock"><p·><a·class="el"·href="../../d6/d90/a03298.html">MoleculeObjectCreator</a>·class.·The·class·<a·class="el"·href="../../d6/d90/a03298.html">MoleculeObjectCreator</a>·is·a·class·for·converting·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·objects·that·represent·molecular·structures·into·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·Objects·that·do·not·represent·molecular·structures·will·not·be·converted.·All·necessary·initialization·and·registration·of·molecular·structure·patterns·will·be·done·in·the·method·initPersistenceManager.·The·conversion·will·be·executed·in·the·method·convertObject.·This·class·is·used·by·the·class·Server·to·convert·incoming·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·objects·to·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>110 <div·class="textblock"><p·><a·class="el"·href="../../d6/d90/a03298.html">MoleculeObjectCreator</a>·class.·The·class·<a·class="el"·href="../../d6/d90/a03298.html">MoleculeObjectCreator</a>·is·a·class·for·converting·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·objects·that·represent·molecular·structures·into·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·Objects·that·do·not·represent·molecular·structures·will·not·be·converted.·All·necessary·initialization·and·registration·of·molecular·structure·patterns·will·be·done·in·the·method·initPersistenceManager.·The·conversion·will·be·executed·in·the·method·convertObject.·This·class·is·used·by·the·class·Server·to·convert·incoming·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·objects·to·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d3a/a01622_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d1/d3a/a01622_source.html">moleculeObjectCreator.h</a>.</p>111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/db7/a00812_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d8/db7/a00812_source.html">moleculeObjectCreator.h</a>.</p>
112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
113 <a·id="acc4d37331307406a46b22c84e1b834be"·name="acc4d37331307406a46b22c84e1b834be"></a>113 <a·id="acc4d37331307406a46b22c84e1b834be"·name="acc4d37331307406a46b22c84e1b834be"></a>
114 <h2·class="memtitle"><span·class="permalink"><a·href="#acc4d37331307406a46b22c84e1b834be">&#9670;&nbsp;</a></span>MoleculeObjectCreator()</h2>114 <h2·class="memtitle"><span·class="permalink"><a·href="#acc4d37331307406a46b22c84e1b834be">&#9670;&nbsp;</a></span>MoleculeObjectCreator()</h2>
  
115 <div·class="memitem">115 <div·class="memitem">
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8 <title>BALL:·Model.h·File·Reference</title>8 <title>BALL:·gridedPLP.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
59 ········name="MSearchResults"·id="MSearchResults">59 ········name="MSearchResults"·id="MSearchResults">
60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#func-members">Functions</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">Model.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">gridedPLP.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d2b/a01997_source.html">BALL/QSAR/validation.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d8e/a01979_source.html">BALL/SCORING/COMMON/diffGridBasedScoring.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d2/d31/a02087_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d4/d3e/a00116_source.html">BALL/MOLMEC/MMFF94/MMFF94.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../db/d51/a20335_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../da/d66/a01856_source.html">BALL/MATHS/parsedFunction.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;vector&gt;</code><br·/> 
80 <code>#include·&lt;set&gt;</code><br·/> 
81 <code>#include·&lt;Eigen/Core&gt;</code><br·/> 
82 </div>76 </div>
83 <p><a·href="../../d6/d94/a02033_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d6/d94/a02033_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">78 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>80 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html">BALL::QSAR::Model</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9c/a06398.html">BALL::GridedPLP</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">83 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
91 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
96 </table><table·class="memberdecls"> 
97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
98 Functions</h2></td></tr> 
99 <tr·class="memitem:af42aa0c85e80a8a0d5002b9a8b758c04"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·Model·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html#af42aa0c85e80a8a0d5002b9a8b758c04">BALL::QSAR::createNewModelFromFile</a>·(String·model_file,·const·QSARData·&amp;q)</td></tr> 
100 <tr·class="separator:af42aa0c85e80a8a0d5002b9a8b758c04"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
101 </table>88 </table>
102 </div><!--·contents·-->89 </div><!--·contents·-->
103 <!--·start·footer·part·-->90 <!--·start·footer·part·-->
104 <hr·class="footer"/><address·class="footer"><small>91 <hr·class="footer"/><address·class="footer"><small>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../d6/d12/a03891.html">List·of·all·members</a>··</div>72 <a·href="../../d6/d12/a03891.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::GAMESSDatFile::block·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::GAMESSDatFile::block·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../dd/d32/a00041_source.html">BALL/FORMAT/GAMESSDatFile.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d3/de5/a00956_source.html">BALL/FORMAT/GAMESSDatFile.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:aecf73f30bb0982093a13289f796b808e"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d94/a03894.html#aecf73f30bb0982093a13289f796b808e">operator&gt;&gt;</a>·(std::ostream·&amp;os)·const</td></tr>80 <tr·class="memitem:aecf73f30bb0982093a13289f796b808e"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d94/a03894.html#aecf73f30bb0982093a13289f796b808e">operator&gt;&gt;</a>·(std::ostream·&amp;os)·const</td></tr>
81 <tr·class="separator:aecf73f30bb0982093a13289f796b808e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:aecf73f30bb0982093a13289f796b808e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
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87 <tr·class="separator:a80bceb0aacb3d8e0cf9984879b5ba69b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a80bceb0aacb3d8e0cf9984879b5ba69b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a75f43052d5319c96086ff051786b8a37"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d7e/a03618.html">StringHashMap</a>&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d94/a03894.html#a75f43052d5319c96086ff051786b8a37">data</a></td></tr>88 <tr·class="memitem:a75f43052d5319c96086ff051786b8a37"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d7e/a03618.html">StringHashMap</a>&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d94/a03894.html#a75f43052d5319c96086ff051786b8a37">data</a></td></tr>
89 <tr·class="separator:a75f43052d5319c96086ff051786b8a37"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a75f43052d5319c96086ff051786b8a37"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p·>Nested·class·for·the·data·blocks·of·the·GAMESSFile·</p>92 <div·class="textblock"><p·>Nested·class·for·the·data·blocks·of·the·GAMESSFile·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d32/a00041_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../dd/d32/a00041_source.html">GAMESSDatFile.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">GAMESSDatFile.h</a>.</p>
94 </div><h2·class="groupheader">Member·Function·Documentation</h2>94 </div><h2·class="groupheader">Member·Function·Documentation</h2>
95 <a·id="aecf73f30bb0982093a13289f796b808e"·name="aecf73f30bb0982093a13289f796b808e"></a>95 <a·id="aecf73f30bb0982093a13289f796b808e"·name="aecf73f30bb0982093a13289f796b808e"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#aecf73f30bb0982093a13289f796b808e">&#9670;&nbsp;</a></span>operator&gt;&gt;()</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#aecf73f30bb0982093a13289f796b808e">&#9670;&nbsp;</a></span>operator&gt;&gt;()</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 ······<table·class="memname">99 ······<table·class="memname">
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122 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::GAMESSDatFile::block::blockname</td>122 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::GAMESSDatFile::block::blockname</td>
123 ········</tr>123 ········</tr>
124 ······</table>124 ······</table>
125 </div><div·class="memdoc">125 </div><div·class="memdoc">
126 <p·>The·name·of·this·block·</p>126 <p·>The·name·of·this·block·</p>
  
127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d32/a00041_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../dd/d32/a00041_source.html">GAMESSDatFile.h</a>.</p>127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">GAMESSDatFile.h</a>.</p>
  
128 </div>128 </div>
129 </div>129 </div>
130 <a·id="a75f43052d5319c96086ff051786b8a37"·name="a75f43052d5319c96086ff051786b8a37"></a>130 <a·id="a75f43052d5319c96086ff051786b8a37"·name="a75f43052d5319c96086ff051786b8a37"></a>
131 <h2·class="memtitle"><span·class="permalink"><a·href="#a75f43052d5319c96086ff051786b8a37">&#9670;&nbsp;</a></span>data</h2>131 <h2·class="memtitle"><span·class="permalink"><a·href="#a75f43052d5319c96086ff051786b8a37">&#9670;&nbsp;</a></span>data</h2>
  
132 <div·class="memitem">132 <div·class="memitem">
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138 ········<tr>138 ········<tr>
139 ··········<td·class="memname"><a·class="el"·href="../../de/d7e/a03618.html">StringHashMap</a>&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>&gt;·BALL::GAMESSDatFile::block::data</td>139 ··········<td·class="memname"><a·class="el"·href="../../de/d7e/a03618.html">StringHashMap</a>&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>&gt;·BALL::GAMESSDatFile::block::data</td>
140 ········</tr>140 ········</tr>
141 ······</table>141 ······</table>
142 </div><div·class="memdoc">142 </div><div·class="memdoc">
143 <p·>Stores·the·data·in·key·-·value·format·</p>143 <p·>Stores·the·data·in·key·-·value·format·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d32/a00041_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../dd/d32/a00041_source.html">GAMESSDatFile.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">GAMESSDatFile.h</a>.</p>
  
145 </div>145 </div>
146 </div>146 </div>
147 </div><!--·contents·-->147 </div><!--·contents·-->
148 <!--·start·footer·part·-->148 <!--·start·footer·part·-->
149 <hr·class="footer"/><address·class="footer"><small>149 <hr·class="footer"/><address·class="footer"><small>
150 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4150 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../da/d97/a06539.html">List·of·all·members</a>··</div>71 <a·href="../../da/d97/a06539.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PCMCavFreeEnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PCMCavFreeEnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/d37/a01754_source.html">BALL/SOLVATION/PCMCavFreeEnergyProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/dff/a01910_source.html">BALL/SOLVATION/PCMCavFreeEnergyProcessor.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::PCMCavFreeEnergyProcessor:</div>77 Inheritance·diagram·for·BALL::PCMCavFreeEnergyProcessor:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d6/d95/a06542.png"·usemap="#BALL::PCMCavFreeEnergyProcessor_map"·alt=""/>80 ··<img·src="../../d6/d95/a06542.png"·usemap="#BALL::PCMCavFreeEnergyProcessor_map"·alt=""/>
81 ··<map·id="BALL::PCMCavFreeEnergyProcessor_map"·name="BALL::PCMCavFreeEnergyProcessor_map">81 ··<map·id="BALL::PCMCavFreeEnergyProcessor_map"·name="BALL::PCMCavFreeEnergyProcessor_map">
82 <area·href="../../de/db6/a03826.html"·alt="BALL::EnergyProcessor"·shape="rect"·coords="0,112,341,136"/>82 <area·href="../../de/db6/a03826.html"·alt="BALL::EnergyProcessor"·shape="rect"·coords="0,112,341,136"/>
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169 <tr·class="memitem:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db6/a03826.html#a3ea3669e5486c28c28cc24716f7b058b">valid_</a></td></tr>169 <tr·class="memitem:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db6/a03826.html#a3ea3669e5486c28c28cc24716f7b058b">valid_</a></td></tr>
170 <tr·class="separator:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>170 <tr·class="separator:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
171 </table>171 </table>
172 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>172 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
173 <div·class="textblock"><p·><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·the·computation·of·the·cavitation·free·energy.·This·processor·is·using·the·SPT·theory·approach·implemented·in·the·PCM·model.·It·is·based·on·Pierotti,·Chem.·Rev.·76(6):717&ndash;726,·1976·and·the·modification·for·non-spherical·solutes·by·Huron/Claverie,·J.·Phys.·Chem.·76(15):2123-2133,·1972.·</p><dl·class="section·user"><dt></dt><dd>The·energy·value·is·returned·in·units·of·kJ/mol.·</dd></dl>173 <div·class="textblock"><p·><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·the·computation·of·the·cavitation·free·energy.·This·processor·is·using·the·SPT·theory·approach·implemented·in·the·PCM·model.·It·is·based·on·Pierotti,·Chem.·Rev.·76(6):717&ndash;726,·1976·and·the·modification·for·non-spherical·solutes·by·Huron/Claverie,·J.·Phys.·Chem.·76(15):2123-2133,·1972.·</p><dl·class="section·user"><dt></dt><dd>The·energy·value·is·returned·in·units·of·kJ/mol.·</dd></dl>
174 <dl·class="section·user"><dt></dt><dd></dd></dl>174 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d37/a01754_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d9/d37/a01754_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dff/a01910_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d4/dff/a01910_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>
176 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>176 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
177 <a·id="abb0d1748bb35df6612816eadb3ba45c7"·name="abb0d1748bb35df6612816eadb3ba45c7"></a>177 <a·id="abb0d1748bb35df6612816eadb3ba45c7"·name="abb0d1748bb35df6612816eadb3ba45c7"></a>
178 <h2·class="memtitle"><span·class="permalink"><a·href="#abb0d1748bb35df6612816eadb3ba45c7">&#9670;&nbsp;</a></span>PCMCavFreeEnergyProcessor()·<span·class="overload">[1/2]</span></h2>178 <h2·class="memtitle"><span·class="permalink"><a·href="#abb0d1748bb35df6612816eadb3ba45c7">&#9670;&nbsp;</a></span>PCMCavFreeEnergyProcessor()·<span·class="overload">[1/2]</span></h2>
  
179 <div·class="memitem">179 <div·class="memitem">
180 <div·class="memproto">180 <div·class="memproto">
181 ······<table·class="memname">181 ······<table·class="memname">
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343 ········<tr>343 ········<tr>
344 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::PCMCavFreeEnergyProcessor::options</td>344 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::PCMCavFreeEnergyProcessor::options</td>
345 ········</tr>345 ········</tr>
346 ······</table>346 ······</table>
347 </div><div·class="memdoc">347 </div><div·class="memdoc">
348 <p·><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·for·the·calculation·of·the·caviation·free·energy·</p>348 <p·><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·for·the·calculation·of·the·caviation·free·energy·</p>
  
349 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d37/a01754_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../d9/d37/a01754_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>349 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dff/a01910_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../d4/dff/a01910_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>
  
350 </div>350 </div>
351 </div>351 </div>
352 </div><!--·contents·-->352 </div><!--·contents·-->
353 <!--·start·footer·part·-->353 <!--·start·footer·part·-->
354 <hr·class="footer"/><address·class="footer"><small>354 <hr·class="footer"/><address·class="footer"><small>
355 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4355 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>·&#124;
71 <a·href="#func-members">Functions</a>·&#124;71 <a·href="#func-members">Functions</a>·&#124;
72 <a·href="#var-members">Variables</a>··</div>72 <a·href="#var-members">Variables</a>··</div>
73 ··<div·class="headertitle"><div·class="title">KERNEL/global.h·File·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">KERNEL/global.h·File·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
76 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>76 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>
78 </div>78 </div>
79 <p><a·href="../../d6/d95/a20350_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d6/d95/a20350_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">80 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
82 Namespaces</h2></td></tr>82 Namespaces</h2></td></tr>
83 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>83 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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71 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;71 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;
72 <a·href="#pro-static-attribs">Static·Protected·Attributes</a>·&#124;72 <a·href="#pro-static-attribs">Static·Protected·Attributes</a>·&#124;
73 <a·href="../../db/d47/a03199.html">List·of·all·members</a>··</div>73 <a·href="../../db/d47/a03199.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::VersionInfo·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../db/d0e/a02124.html">Common·Definitions</a></div></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VersionInfo·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../db/d0e/a02124.html">Common·Definitions</a></div></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../db/d23/a01025_source.html">BALL/COMMON/version.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d4/d14/a00608_source.html">BALL/COMMON/version.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
80 Public·Types</h2></td></tr>80 Public·Types</h2></td></tr>
81 <tr·class="memitem:a4a1adc2c533684b3c2e5b7b19770df10"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d9b/a03202.html#a4a1adc2c533684b3c2e5b7b19770df10">Type</a>·{·<br·/>81 <tr·class="memitem:a4a1adc2c533684b3c2e5b7b19770df10"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d9b/a03202.html#a4a1adc2c533684b3c2e5b7b19770df10">Type</a>·{·<br·/>
82 &#160;&#160;<a·class="el"·href="../../d6/d9b/a03202.html#a4a1adc2c533684b3c2e5b7b19770df10a7810406baee9ef48fd8583cefa7e1b52">STABLE</a>82 &#160;&#160;<a·class="el"·href="../../d6/d9b/a03202.html#a4a1adc2c533684b3c2e5b7b19770df10a7810406baee9ef48fd8583cefa7e1b52">STABLE</a>
83 ,·<a·class="el"·href="../../d6/d9b/a03202.html#a4a1adc2c533684b3c2e5b7b19770df10a02fd20a0748c1427a43289ccbde8e027">ALPHA</a>83 ,·<a·class="el"·href="../../d6/d9b/a03202.html#a4a1adc2c533684b3c2e5b7b19770df10a02fd20a0748c1427a43289ccbde8e027">ALPHA</a>
84 ,·<a·class="el"·href="../../d6/d9b/a03202.html#a4a1adc2c533684b3c2e5b7b19770df10a6f3d09733df110ff2a85a8b487ce55ce">BETA</a>84 ,·<a·class="el"·href="../../d6/d9b/a03202.html#a4a1adc2c533684b3c2e5b7b19770df10a6f3d09733df110ff2a85a8b487ce55ce">BETA</a>
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113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
114 <div·class="textblock"><p·>Version·information·class.·The·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·release,·release·data·and·related·version·can·be·retrieved·by·these·methods.·</p><dl·class="section·user"><dt></dt><dd>Stable·releases·are·designated·with·numbers·only.·</dd></dl>114 <div·class="textblock"><p·>Version·information·class.·The·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·release,·release·data·and·related·version·can·be·retrieved·by·these·methods.·</p><dl·class="section·user"><dt></dt><dd>Stable·releases·are·designated·with·numbers·only.·</dd></dl>
115 <dl·class="section·user"><dt></dt><dd>Alpha,·beta,·nonpublic,·or·prereleases·are·suffixed·as·"alpha",·"beta",·"nonpublic",·and·"pre",·respectively.·</dd></dl>115 <dl·class="section·user"><dt></dt><dd>Alpha,·beta,·nonpublic,·or·prereleases·are·suffixed·as·"alpha",·"beta",·"nonpublic",·and·"pre",·respectively.·</dd></dl>
116 <dl·class="section·user"><dt></dt><dd>The·<a·class="el"·href="../../d6/d9b/a03202.html">VersionInfo</a>·class·contains·only·static·methods·that·can·be·used·to·retrieve·the·desired·information.·</dd></dl>116 <dl·class="section·user"><dt></dt><dd>The·<a·class="el"·href="../../d6/d9b/a03202.html">VersionInfo</a>·class·contains·only·static·methods·that·can·be·used·to·retrieve·the·desired·information.·</dd></dl>
117 <dl·class="section·user"><dt></dt><dd>The·release·string·(BALL_RELEASE_STRING)·is·defined·in·include/BALL/CONFIG/config.h·</dd></dl>117 <dl·class="section·user"><dt></dt><dd>The·release·string·(BALL_RELEASE_STRING)·is·defined·in·include/BALL/CONFIG/config.h·</dd></dl>
118 <dl·class="section·user"><dt></dt><dd></dd></dl>118 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d23/a01025_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../db/d23/a01025_source.html">version.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d14/a00608_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d4/d14/a00608_source.html">version.h</a>.</p>
120 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>120 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
121 <a·id="a4a1adc2c533684b3c2e5b7b19770df10"·name="a4a1adc2c533684b3c2e5b7b19770df10"></a>121 <a·id="a4a1adc2c533684b3c2e5b7b19770df10"·name="a4a1adc2c533684b3c2e5b7b19770df10"></a>
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144 </div>144 </div>
145 </div>145 </div>
146 <h2·class="groupheader">Member·Function·Documentation</h2>146 <h2·class="groupheader">Member·Function·Documentation</h2>
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148 <h2·class="memtitle"><span·class="permalink"><a·href="#afe0f2cb339247f4529d09c06bb06f6a1">&#9670;&nbsp;</a></span>getMajorRevision()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#afe0f2cb339247f4529d09c06bb06f6a1">&#9670;&nbsp;</a></span>getMajorRevision()</h2>
  
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277 ··</td>277 ··</td>
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279 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>279 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>
280 ··</tr>280 ··</tr>
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283 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d23/a01025_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../db/d23/a01025_source.html">version.h</a>.</p>283 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d14/a00608_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../d4/d14/a00608_source.html">version.h</a>.</p>
  
284 </div>284 </div>
285 </div>285 </div>
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287 <h2·class="memtitle"><span·class="permalink"><a·href="#a2b0df4a3d829238afd7aea9679ad4cc6">&#9670;&nbsp;</a></span>RELEASE_WHAT_STRING</h2>287 <h2·class="memtitle"><span·class="permalink"><a·href="#a2b0df4a3d829238afd7aea9679ad4cc6">&#9670;&nbsp;</a></span>RELEASE_WHAT_STRING</h2>
  
288 <div·class="memitem">288 <div·class="memitem">
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301 ··</td>301 ··</td>
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73 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;73 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
74 <a·href="../../d1/dd1/a05275.html">List·of·all·members</a>··</div>74 <a·href="../../d1/dd1/a05275.html">List·of·all·members</a>··</div>
75 ··<div·class="headertitle"><div·class="title">BALL::MMFF94BendParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>75 ··<div·class="headertitle"><div·class="title">BALL::MMFF94BendParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>
76 </div><!--header-->76 </div><!--header-->
77 <div·class="contents">77 <div·class="contents">
  
78 <p><code>#include·&lt;<a·class="el"·href="../../df/d88/a00962_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../df/dc8/a00122_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
80 Inheritance·diagram·for·BALL::MMFF94BendParameters:</div>80 Inheritance·diagram·for·BALL::MMFF94BendParameters:</div>
81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../d6/d9e/a05278.png"·usemap="#BALL::MMFF94BendParameters_map"·alt=""/>83 ··<img·src="../../d6/d9e/a05278.png"·usemap="#BALL::MMFF94BendParameters_map"·alt=""/>
84 ··<map·id="BALL::MMFF94BendParameters_map"·name="BALL::MMFF94BendParameters_map">84 ··<map·id="BALL::MMFF94BendParameters_map"·name="BALL::MMFF94BendParameters_map">
85 <area·href="../../d8/de7/a05250.html"·alt="BALL::MMFF94ParametersBase"·shape="rect"·coords="0,0,194,24"/>85 <area·href="../../d8/de7/a05250.html"·alt="BALL::MMFF94ParametersBase"·shape="rect"·coords="0,0,194,24"/>
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152 <tr·class="separator:a84d92d3f781cbfdb13dfc7d7e6746a31·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>152 <tr·class="separator:a84d92d3f781cbfdb13dfc7d7e6746a31·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
153 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>153 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>
154 <tr·class="separator:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>154 <tr·class="separator:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
155 </table>155 </table>
156 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>156 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
157 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·bond·bending·(see·MMFFANG.PAR)·</p>157 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·bond·bending·(see·MMFFANG.PAR)·</p>
  
158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00263">263</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00263">263</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
159 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>159 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
160 <a·id="aeba13e4e2d6a40d4b4b7e915caf8fa31"·name="aeba13e4e2d6a40d4b4b7e915caf8fa31"></a>160 <a·id="aeba13e4e2d6a40d4b4b7e915caf8fa31"·name="aeba13e4e2d6a40d4b4b7e915caf8fa31"></a>
161 <h2·class="memtitle"><span·class="permalink"><a·href="#aeba13e4e2d6a40d4b4b7e915caf8fa31">&#9670;&nbsp;</a></span>BendMap</h2>161 <h2·class="memtitle"><span·class="permalink"><a·href="#aeba13e4e2d6a40d4b4b7e915caf8fa31">&#9670;&nbsp;</a></span>BendMap</h2>
  
162 <div·class="memitem">162 <div·class="memitem">
163 <div·class="memproto">163 <div·class="memproto">
164 ······<table·class="memname">164 ······<table·class="memname">
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168 ··········<td·class="memname">typedef·<a·class="el"·href="../../d0/de9/a03530.html">HashMap</a>&lt;<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>,·std::pair&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·&gt;·<a·class="el"·href="../../d6/d9e/a05278.html#aeba13e4e2d6a40d4b4b7e915caf8fa31">BALL::MMFF94BendParameters::BendMap</a></td>168 ··········<td·class="memname">typedef·<a·class="el"·href="../../d0/de9/a03530.html">HashMap</a>&lt;<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>,·std::pair&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·&gt;·<a·class="el"·href="../../d6/d9e/a05278.html#aeba13e4e2d6a40d4b4b7e915caf8fa31">BALL::MMFF94BendParameters::BendMap</a></td>
169 ········</tr>169 ········</tr>
170 ······</table>170 ······</table>
171 </div><div·class="memdoc">171 </div><div·class="memdoc">
  
172 <p>Map·with·the·force·constant·and·reference·angle.·</p>172 <p>Map·with·the·force·constant·and·reference·angle.·</p>
  
173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00269">269</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00269">269</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
174 </div>174 </div>
175 </div>175 </div>
176 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>176 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
177 <a·id="a4ff733b7e200a30367c5d07b58bdd2a8"·name="a4ff733b7e200a30367c5d07b58bdd2a8"></a>177 <a·id="a4ff733b7e200a30367c5d07b58bdd2a8"·name="a4ff733b7e200a30367c5d07b58bdd2a8"></a>
178 <h2·class="memtitle"><span·class="permalink"><a·href="#a4ff733b7e200a30367c5d07b58bdd2a8">&#9670;&nbsp;</a></span>MMFF94BendParameters()</h2>178 <h2·class="memtitle"><span·class="permalink"><a·href="#a4ff733b7e200a30367c5d07b58bdd2a8">&#9670;&nbsp;</a></span>MMFF94BendParameters()</h2>
  
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418 ··</td>418 ··</td>
419 ··<td·class="mlabels-right">419 ··<td·class="mlabels-right">
420 <span·class="mlabels"><span·class="mlabel">mutable</span><span·class="mlabel">protected</span></span>··</td>420 <span·class="mlabels"><span·class="mlabel">mutable</span><span·class="mlabel">protected</span></span>··</td>
421 ··</tr>421 ··</tr>
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424 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00300">300</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>424 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00300">300</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
425 </div>425 </div>
426 </div>426 </div>
427 <a·id="ade7d573a7d232612abd623307ae656e0"·name="ade7d573a7d232612abd623307ae656e0"></a>427 <a·id="ade7d573a7d232612abd623307ae656e0"·name="ade7d573a7d232612abd623307ae656e0"></a>
428 <h2·class="memtitle"><span·class="permalink"><a·href="#ade7d573a7d232612abd623307ae656e0">&#9670;&nbsp;</a></span>parameters_</h2>428 <h2·class="memtitle"><span·class="permalink"><a·href="#ade7d573a7d232612abd623307ae656e0">&#9670;&nbsp;</a></span>parameters_</h2>
  
429 <div·class="memitem">429 <div·class="memitem">
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444 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>444 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
445 ··</tr>445 ··</tr>
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447 </div><div·class="memdoc">447 </div><div·class="memdoc">
  
448 <p>parameters·</p>448 <p>parameters·</p>
  
449 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00299">299</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>449 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00299">299</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
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451 </div>451 </div>
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70 <a·href="#pub-slots">Public·Slots</a>·&#124;70 <a·href="#pub-slots">Public·Slots</a>·&#124;
71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="../../db/d57/a07639.html">List·of·all·members</a>··</div>72 <a·href="../../db/d57/a07639.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MinimizationDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MinimizationDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d34/a01298_source.html">BALL/VIEW/DIALOGS/minimizationDialog.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dc/dd9/a01268_source.html">BALL/VIEW/DIALOGS/minimizationDialog.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::MinimizationDialog:</div>78 Inheritance·diagram·for·BALL::VIEW::MinimizationDialog:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d6/da6/a07642.png"·usemap="#BALL::VIEW::MinimizationDialog_map"·alt=""/>81 ··<img·src="../../d6/da6/a07642.png"·usemap="#BALL::VIEW::MinimizationDialog_map"·alt=""/>
82 ··<map·id="BALL::VIEW::MinimizationDialog_map"·name="BALL::VIEW::MinimizationDialog_map">82 ··<map·id="BALL::VIEW::MinimizationDialog_map"·name="BALL::VIEW::MinimizationDialog_map">
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234 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>234 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
235 </table>235 </table>
236 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>236 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
237 <div·class="textblock"><p·>Dialog·for·performing·energy·minimisations·</p>237 <div·class="textblock"><p·>Dialog·for·performing·energy·minimisations·</p>
  
238 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d34/a01298_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d4/d34/a01298_source.html">minimizationDialog.h</a>.</p>238 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dd9/a01268_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../dc/dd9/a01268_source.html">minimizationDialog.h</a>.</p>
239 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>239 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
240 <a·id="ab7c79174f7f67916a550cd395d729fe2"·name="ab7c79174f7f67916a550cd395d729fe2"></a>240 <a·id="ab7c79174f7f67916a550cd395d729fe2"·name="ab7c79174f7f67916a550cd395d729fe2"></a>
241 <h2·class="memtitle"><span·class="permalink"><a·href="#ab7c79174f7f67916a550cd395d729fe2">&#9670;&nbsp;</a></span>MinimizationDialog()</h2>241 <h2·class="memtitle"><span·class="permalink"><a·href="#ab7c79174f7f67916a550cd395d729fe2">&#9670;&nbsp;</a></span>MinimizationDialog()</h2>
  
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74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::UndoManagerDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::UndoManagerDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d1/d72/a01319_source.html">BALL/VIEW/DIALOGS/undoManagerDialog.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d6/d27/a01163_source.html">BALL/VIEW/DIALOGS/undoManagerDialog.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::VIEW::UndoManagerDialog:</div>79 Inheritance·diagram·for·BALL::VIEW::UndoManagerDialog:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d6/dac/a07746.png"·usemap="#BALL::VIEW::UndoManagerDialog_map"·alt=""/>82 ··<img·src="../../d6/dac/a07746.png"·usemap="#BALL::VIEW::UndoManagerDialog_map"·alt=""/>
83 ··<map·id="BALL::VIEW::UndoManagerDialog_map"·name="BALL::VIEW::UndoManagerDialog_map">83 ··<map·id="BALL::VIEW::UndoManagerDialog_map"·name="BALL::VIEW::UndoManagerDialog_map">
84 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,56,202,80"/>84 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,56,202,80"/>
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255 <tr·class="separator:a46b0de6e9bcfec3956c84916735c3bf8·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>255 <tr·class="separator:a46b0de6e9bcfec3956c84916735c3bf8·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
256 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>256 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>
257 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>257 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
258 </table>258 </table>
259 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>259 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
260 <div·class="textblock"><p·>Dialog·for·managing·snapshots·</p>260 <div·class="textblock"><p·>Dialog·for·managing·snapshots·</p>
  
261 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d72/a01319_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d1/d72/a01319_source.html">undoManagerDialog.h</a>.</p>261 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d27/a01163_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d6/d27/a01163_source.html">undoManagerDialog.h</a>.</p>
262 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>262 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
263 <a·id="ac3013a907ed2514738bbeb62bc981161"·name="ac3013a907ed2514738bbeb62bc981161"></a>263 <a·id="ac3013a907ed2514738bbeb62bc981161"·name="ac3013a907ed2514738bbeb62bc981161"></a>
264 <h2·class="memtitle"><span·class="permalink"><a·href="#ac3013a907ed2514738bbeb62bc981161">&#9670;&nbsp;</a></span>UndoManagerDialog()</h2>264 <h2·class="memtitle"><span·class="permalink"><a·href="#ac3013a907ed2514738bbeb62bc981161">&#9670;&nbsp;</a></span>UndoManagerDialog()</h2>
  
265 <div·class="memitem">265 <div·class="memitem">
266 <div·class="memproto">266 <div·class="memproto">
267 ······<table·class="memname">267 ······<table·class="memname">
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319 ··</tr>319 ··</tr>
320 </table>320 </table>
321 </div><div·class="memdoc">321 </div><div·class="memdoc">
  
322 <p>Destructor.·</p>322 <p>Destructor.·</p>
  
323 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d72/a01319_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d1/d72/a01319_source.html">undoManagerDialog.h</a>.</p>323 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d27/a01163_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d6/d27/a01163_source.html">undoManagerDialog.h</a>.</p>
  
324 </div>324 </div>
325 </div>325 </div>
326 <h2·class="groupheader">Member·Function·Documentation</h2>326 <h2·class="groupheader">Member·Function·Documentation</h2>
327 <a·id="ac1c983d064416322a683b3afcff2027c"·name="ac1c983d064416322a683b3afcff2027c"></a>327 <a·id="ac1c983d064416322a683b3afcff2027c"·name="ac1c983d064416322a683b3afcff2027c"></a>
328 <h2·class="memtitle"><span·class="permalink"><a·href="#ac1c983d064416322a683b3afcff2027c">&#9670;&nbsp;</a></span>checkMenu()</h2>328 <h2·class="memtitle"><span·class="permalink"><a·href="#ac1c983d064416322a683b3afcff2027c">&#9670;&nbsp;</a></span>checkMenu()</h2>
  
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545 ··</td>545 ··</td>
546 ··<td·class="mlabels-right">546 ··<td·class="mlabels-right">
547 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>547 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
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552 </div>552 </div>
553 </div>553 </div>
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555 <h2·class="memtitle"><span·class="permalink"><a·href="#abac76e5e9ce819635f80c5c9e4bd33e4">&#9670;&nbsp;</a></span>first_run</h2>555 <h2·class="memtitle"><span·class="permalink"><a·href="#abac76e5e9ce819635f80c5c9e4bd33e4">&#9670;&nbsp;</a></span>first_run</h2>
  
556 <div·class="memitem">556 <div·class="memitem">
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570 ··<td·class="mlabels-right">570 ··<td·class="mlabels-right">
571 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>571 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
572 ··</tr>572 ··</tr>
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574 </div><div·class="memdoc">574 </div><div·class="memdoc">
  
575 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d72/a01319_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../d1/d72/a01319_source.html">undoManagerDialog.h</a>.</p>575 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d27/a01163_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../d6/d27/a01163_source.html">undoManagerDialog.h</a>.</p>
  
576 </div>576 </div>
577 </div>577 </div>
578 <a·id="a8a960729858ea79a53a98dcb616fc793"·name="a8a960729858ea79a53a98dcb616fc793"></a>578 <a·id="a8a960729858ea79a53a98dcb616fc793"·name="a8a960729858ea79a53a98dcb616fc793"></a>
579 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a960729858ea79a53a98dcb616fc793">&#9670;&nbsp;</a></span>snapshot_interface_</h2>579 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a960729858ea79a53a98dcb616fc793">&#9670;&nbsp;</a></span>snapshot_interface_</h2>
  
580 <div·class="memitem">580 <div·class="memitem">
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593 ··</td>593 ··</td>
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64 ··<div·class="headertitle"><div·class="title">amber.doc·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">amiraMeshFile.h·File·Reference</div></div>
65 </div><!--header-->72 </div><!--header-->
66 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
 76 </div>
 77 <p><a·href="../../d6/dad/a00941_source.html">Go·to·the·source·code·of·this·file.</a></p>
 78 <table·class="memberdecls">
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 83 </table><table·class="memberdecls">
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67 </div><!--·contents·-->89 </div><!--·contents·-->
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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67 </div><!--·top·-->67 </div><!--·top·-->
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="#namespaces">Namespaces</a>··</div>71 <a·href="#namespaces">Namespaces</a>··</div>
72 ··<div·class="headertitle"><div·class="title">coloringSettingsDialog.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">compositeProperties.h·File·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d0/df7/a20389_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d7/dcf/a00845_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>
78 <code>#include·&lt;<a·class="el"·href="../../d2/d21/a01484_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;BALL/VIEW/UIC/ui_coloringSettingsDialog.h&gt;</code><br·/>77 <code>#include·&lt;BALL/VIEW/UIC/ui_compositeProperties.h&gt;</code><br·/>
80 <code>#include·&lt;vector&gt;</code><br·/> 
81 </div>78 </div>
82 <p><a·href="../../d6/dae/a01304_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d6/dae/a01304_source.html">Go·to·the·source·code·of·this·file.</a></p>
83 <table·class="memberdecls">80 <table·class="memberdecls">
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87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
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92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../da/d30/a05811.html">List·of·all·members</a>··</div>70 <a·href="../../da/d30/a05811.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::PartialChargeProcessor·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::PartialChargeProcessor·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../de/d9d/a02072_source.html">BALL/QSAR/partialChargeProcessor.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d6/de1/a00356_source.html">BALL/QSAR/partialChargeProcessor.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::PartialChargeProcessor:</div>76 Inheritance·diagram·for·BALL::PartialChargeProcessor:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d6/db5/a05814.png"·usemap="#BALL::PartialChargeProcessor_map"·alt=""/>79 ··<img·src="../../d6/db5/a05814.png"·usemap="#BALL::PartialChargeProcessor_map"·alt=""/>
80 ··<map·id="BALL::PartialChargeProcessor_map"·name="BALL::PartialChargeProcessor_map">80 ··<map·id="BALL::PartialChargeProcessor_map"·name="BALL::PartialChargeProcessor_map">
81 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·AtomContainer·&gt;"·shape="rect"·coords="0,56,341,80"/>81 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·AtomContainer·&gt;"·shape="rect"·coords="0,56,341,80"/>
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132 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>132 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
133 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>133 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
134 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>134 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
135 </table>135 </table>
136 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>136 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
137 <div·class="textblock"><p·>Generic·.·\·</p>137 <div·class="textblock"><p·>Generic·.·\·</p>
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d9d/a02072_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../de/d9d/a02072_source.html">partialChargeProcessor.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/de1/a00356_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d6/de1/a00356_source.html">partialChargeProcessor.h</a>.</p>
139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
140 <a·id="a1a69179bf347f9b23bc0653e38a42f7c"·name="a1a69179bf347f9b23bc0653e38a42f7c"></a>140 <a·id="a1a69179bf347f9b23bc0653e38a42f7c"·name="a1a69179bf347f9b23bc0653e38a42f7c"></a>
141 <h2·class="memtitle"><span·class="permalink"><a·href="#a1a69179bf347f9b23bc0653e38a42f7c">&#9670;&nbsp;</a></span>PartialChargeProcessor()·<span·class="overload">[1/2]</span></h2>141 <h2·class="memtitle"><span·class="permalink"><a·href="#a1a69179bf347f9b23bc0653e38a42f7c">&#9670;&nbsp;</a></span>PartialChargeProcessor()·<span·class="overload">[1/2]</span></h2>
  
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8 <title>BALL:·renderer.h·File·Reference</title>8 <title>BALL:·raytraceableContourSurfaceDialog.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li><li·class="navelem"><a·class="el"·href="../../dir_63800ef38c29322dc72b2a63f41a2424.html">RENDERERS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">renderer.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">raytraceableContourSurfaceDialog.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d80/a01076_source.html">BALL/VIEW/KERNEL/representation.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/d79/a01658_source.html">BALL/CONCEPT/object.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d6/dea/a01094_source.html">BALL/VIEW/KERNEL/stage.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../da/dcd/a01835_source.html">BALL/MATHS/vector2.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d2/d1f/a01361_source.html">BALL/VIEW/DATATYPE/raytraceableGrid.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;BALL/VIEW/UIC/ui_raytraceableContourSurfaceDialog.h&gt;</code><br·/>
 79 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>
78 </div>80 </div>
79 <p><a·href="../../d6/db6/a01172_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../d6/db6/a01172_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">82 <table·class="memberdecls">
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77 <p><a·href="../../d6/db8/a00158_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d6/db8/a00158_source.html">Go·to·the·source·code·of·this·file.</a></p>
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92 <tr·class="memitem:gaf05f8e30f4a2fdf07adc06e67fdaf9ef"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
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97 <tr·class="separator:ga1a143f5511b66cb6472ad8913046b8d3"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../da/d9e/a08107.html">List·of·all·members</a>··</div>71 <a·href="../../da/d9e/a08107.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TemperatureFactorColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TemperatureFactorColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/d35/a01184_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::TemperatureFactorColorProcessor:</div>77 Inheritance·diagram·for·BALL::VIEW::TemperatureFactorColorProcessor:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d6/dbf/a08110.png"·usemap="#BALL::VIEW::TemperatureFactorColorProcessor_map"·alt=""/>80 ··<img·src="../../d6/dbf/a08110.png"·usemap="#BALL::VIEW::TemperatureFactorColorProcessor_map"·alt=""/>
81 ··<map·id="BALL::VIEW::TemperatureFactorColorProcessor_map"·name="BALL::VIEW::TemperatureFactorColorProcessor_map">81 ··<map·id="BALL::VIEW::TemperatureFactorColorProcessor_map"·name="BALL::VIEW::TemperatureFactorColorProcessor_map">
82 <area·href="../../d3/d76/a08046.html"·alt="BALL::VIEW::InterpolateColorProcessor"·shape="rect"·coords="0,168,364,192"/>82 <area·href="../../d3/d76/a08046.html"·alt="BALL::VIEW::InterpolateColorProcessor"·shape="rect"·coords="0,168,364,192"/>
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266 <tr·class="separator:a3173044548dc6712c9c0b44ea584780b·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>266 <tr·class="separator:a3173044548dc6712c9c0b44ea584780b·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
267 <tr·class="memitem:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d56/a08042.html#a18059f4f928525494f82e367a40cab58">min_spacing_</a></td></tr>267 <tr·class="memitem:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d56/a08042.html#a18059f4f928525494f82e367a40cab58">min_spacing_</a></td></tr>
268 <tr·class="separator:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>268 <tr·class="separator:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
269 </table>269 </table>
270 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>270 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
271 <div·class="textblock"><p·>Coloring·by·the·temperature·factor·of·atoms·from·a·<a·class="el"·href="../../d1/db3/a04402.html">PDBFile</a>·</p>271 <div·class="textblock"><p·>Coloring·by·the·temperature·factor·of·atoms·from·a·<a·class="el"·href="../../d1/db3/a04402.html">PDBFile</a>·</p>
  
272 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00436">436</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>272 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00436">436</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
273 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>273 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
274 <a·id="a45d45a30c60ec39d42d3d1a9056221d7"·name="a45d45a30c60ec39d42d3d1a9056221d7"></a>274 <a·id="a45d45a30c60ec39d42d3d1a9056221d7"·name="a45d45a30c60ec39d42d3d1a9056221d7"></a>
275 <h2·class="memtitle"><span·class="permalink"><a·href="#a45d45a30c60ec39d42d3d1a9056221d7">&#9670;&nbsp;</a></span>TemperatureFactorColorProcessor()</h2>275 <h2·class="memtitle"><span·class="permalink"><a·href="#a45d45a30c60ec39d42d3d1a9056221d7">&#9670;&nbsp;</a></span>TemperatureFactorColorProcessor()</h2>
  
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8 <title>BALL:·residueRotamerSet.h·File·Reference</title>8 <title>BALL:·quadruple.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">residueRotamerSet.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">quadruple.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/ddc/a01802_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
77 </div>75 </div>
78 <p><a·href="../../d6/dc0/a00734_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d6/dc0/a00734_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">77 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>79 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d86/a07078.html">BALL::Rotamer</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d60/a03562.html">BALL::Quadruple&lt;·T1,·T2,·T3,·T4·&gt;</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/db3/a07082.html">BALL::ResidueRotamerSet</a></td></tr> 
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d45/a07086.html">BALL::ResidueRotamerSet::RotamerProbabilityGreaterThan_</a></td></tr> 
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
90 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table>87 </table>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d5/d3c/a08223.html">List·of·all·members</a>··</div>71 <a·href="../../d5/d3c/a08223.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLDisplayList::NestedDisplayList·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLDisplayList::NestedDisplayList·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dd/de4/a01121_source.html">BALL/VIEW/RENDERING/glDisplayList.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d8/d7b/a01478_source.html">BALL/VIEW/RENDERING/glDisplayList.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::GLDisplayList::NestedDisplayList:</div>77 Inheritance·diagram·for·BALL::VIEW::GLDisplayList::NestedDisplayList:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d6/dc8/a08226.png"·usemap="#BALL::VIEW::GLDisplayList::NestedDisplayList_map"·alt=""/>80 ··<img·src="../../d6/dc8/a08226.png"·usemap="#BALL::VIEW::GLDisplayList::NestedDisplayList_map"·alt=""/>
81 ··<map·id="BALL::VIEW::GLDisplayList::NestedDisplayList_map"·name="BALL::VIEW::GLDisplayList::NestedDisplayList_map">81 ··<map·id="BALL::VIEW::GLDisplayList::NestedDisplayList_map"·name="BALL::VIEW::GLDisplayList::NestedDisplayList_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,269,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,269,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·><a·class="el"·href="../../d6/dc8/a08226.html">NestedDisplayList</a>·exception·class.·This·exception·will·be·thrown·whenever·a·display·list·is·tried·to·be·defined·inside·another·definition·of·a·display·list.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html#a398de7f7a5d657c9a635f52d13a38c6d"·title="Default·constructor.">GeneralException</a>·<br··/>136 <div·class="textblock"><p·><a·class="el"·href="../../d6/dc8/a08226.html">NestedDisplayList</a>·exception·class.·This·exception·will·be·thrown·whenever·a·display·list·is·tried·to·be·defined·inside·another·definition·of·a·display·list.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html#a398de7f7a5d657c9a635f52d13a38c6d"·title="Default·constructor.">GeneralException</a>·<br··/>
137 ·</dd></dl>137 ·</dd></dl>
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de4/a01121_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../dd/de4/a01121_source.html">glDisplayList.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d7b/a01478_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../d8/d7b/a01478_source.html">glDisplayList.h</a>.</p>
139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
140 <a·id="a3b92c152b68b6f3c6d00e6e2137e6806"·name="a3b92c152b68b6f3c6d00e6e2137e6806"></a>140 <a·id="a3b92c152b68b6f3c6d00e6e2137e6806"·name="a3b92c152b68b6f3c6d00e6e2137e6806"></a>
141 <h2·class="memtitle"><span·class="permalink"><a·href="#a3b92c152b68b6f3c6d00e6e2137e6806">&#9670;&nbsp;</a></span>NestedDisplayList()</h2>141 <h2·class="memtitle"><span·class="permalink"><a·href="#a3b92c152b68b6f3c6d00e6e2137e6806">&#9670;&nbsp;</a></span>NestedDisplayList()</h2>
  
142 <div·class="memitem">142 <div·class="memitem">
143 <div·class="memproto">143 <div·class="memproto">
144 ······<table·class="memname">144 ······<table·class="memname">
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d8/d2e/a05719.html">List·of·all·members</a>··</div>70 <a·href="../../d8/d2e/a05719.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::GPModel·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::GPModel·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d3/d4e/a01991_source.html">BALL/QSAR/gpModel.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d9/de6/a00404_source.html">BALL/QSAR/gpModel.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::QSAR::GPModel:</div>76 Inheritance·diagram·for·BALL::QSAR::GPModel:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d6/dcf/a05722.png"·usemap="#BALL::QSAR::GPModel_map"·alt=""/>79 ··<img·src="../../d6/dcf/a05722.png"·usemap="#BALL::QSAR::GPModel_map"·alt=""/>
80 ··<map·id="BALL::QSAR::GPModel_map"·name="BALL::QSAR::GPModel_map">80 ··<map·id="BALL::QSAR::GPModel_map"·name="BALL::QSAR::GPModel_map">
81 <area·href="../../db/dd1/a05730.html"·alt="BALL::QSAR::KernelModel"·shape="rect"·coords="0,168,188,192"/>81 <area·href="../../db/dd1/a05730.html"·alt="BALL::QSAR::KernelModel"·shape="rect"·coords="0,168,188,192"/>
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267 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>267 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
268 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>268 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
269 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>269 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
270 </table>270 </table>
271 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>271 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
272 <div·class="textblock"><p·>class·for·gaussian·process·regression·</p>272 <div·class="textblock"><p·>class·for·gaussian·process·regression·</p>
  
273 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4e/a01991_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d3/d4e/a01991_source.html">gpModel.h</a>.</p>273 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/de6/a00404_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d9/de6/a00404_source.html">gpModel.h</a>.</p>
274 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>274 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
275 <a·id="abb63fe84f49a966d9080153471f33a72"·name="abb63fe84f49a966d9080153471f33a72"></a>275 <a·id="abb63fe84f49a966d9080153471f33a72"·name="abb63fe84f49a966d9080153471f33a72"></a>
276 <h2·class="memtitle"><span·class="permalink"><a·href="#abb63fe84f49a966d9080153471f33a72">&#9670;&nbsp;</a></span>GPModel()·<span·class="overload">[1/4]</span></h2>276 <h2·class="memtitle"><span·class="permalink"><a·href="#abb63fe84f49a966d9080153471f33a72">&#9670;&nbsp;</a></span>GPModel()·<span·class="overload">[1/4]</span></h2>
  
277 <div·class="memitem">277 <div·class="memitem">
278 <div·class="memproto">278 <div·class="memproto">
279 ······<table·class="memname">279 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../de/d1d/a07855.html">List·of·all·members</a>··</div>71 <a·href="../../de/d1d/a07855.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShowDisplayPropertiesMessage·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShowDisplayPropertiesMessage·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d39/a01112_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::ShowDisplayPropertiesMessage:</div>77 Inheritance·diagram·for·BALL::VIEW::ShowDisplayPropertiesMessage:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d6/dd4/a07858.png"·usemap="#BALL::VIEW::ShowDisplayPropertiesMessage_map"·alt=""/>80 ··<img·src="../../d6/dd4/a07858.png"·usemap="#BALL::VIEW::ShowDisplayPropertiesMessage_map"·alt=""/>
81 ··<map·id="BALL::VIEW::ShowDisplayPropertiesMessage_map"·name="BALL::VIEW::ShowDisplayPropertiesMessage_map">81 ··<map·id="BALL::VIEW::ShowDisplayPropertiesMessage_map"·name="BALL::VIEW::ShowDisplayPropertiesMessage_map">
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106 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>106 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>
107 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>107 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
108 </table>108 </table>
109 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>109 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
110 <div·class="textblock"><p·>Notify·the·<a·class="el"·href="../../da/dde/a07566.html">DisplayProperties</a>·dialog·to·show·itself.</p><dl·class="section·user"><dt></dt><dd>Send·by·the·GeometriControl·and·<a·class="el"·href="../../d5/db3/a08442.html">MolecularControl</a>.·</dd></dl>110 <div·class="textblock"><p·>Notify·the·<a·class="el"·href="../../da/dde/a07566.html">DisplayProperties</a>·dialog·to·show·itself.</p><dl·class="section·user"><dt></dt><dd>Send·by·the·GeometriControl·and·<a·class="el"·href="../../d5/db3/a08442.html">MolecularControl</a>.·</dd></dl>
  
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00677">677</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00677">677</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
113 <a·id="a7cdfc47b89fcb299bf56b2e5d7929f04"·name="a7cdfc47b89fcb299bf56b2e5d7929f04"></a>113 <a·id="a7cdfc47b89fcb299bf56b2e5d7929f04"·name="a7cdfc47b89fcb299bf56b2e5d7929f04"></a>
114 <h2·class="memtitle"><span·class="permalink"><a·href="#a7cdfc47b89fcb299bf56b2e5d7929f04">&#9670;&nbsp;</a></span>ShowDisplayPropertiesMessage()</h2>114 <h2·class="memtitle"><span·class="permalink"><a·href="#a7cdfc47b89fcb299bf56b2e5d7929f04">&#9670;&nbsp;</a></span>ShowDisplayPropertiesMessage()</h2>
  
115 <div·class="memitem">115 <div·class="memitem">
116 <div·class="memproto">116 <div·class="memproto">
117 <table·class="mlabels">117 <table·class="mlabels">
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130 ··</td>130 ··</td>
131 ··<td·class="mlabels-right">131 ··<td·class="mlabels-right">
132 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>132 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
133 ··</tr>133 ··</tr>
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135 </div><div·class="memdoc">135 </div><div·class="memdoc">
  
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00682">682</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00682">682</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
137 </div>137 </div>
138 </div>138 </div>
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140 <!--·start·footer·part·-->140 <!--·start·footer·part·-->
141 <hr·class="footer"/><address·class="footer"><small>141 <hr·class="footer"/><address·class="footer"><small>
142 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4142 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../d9/d37/a04335.html">List·of·all·members</a>··</div>72 <a·href="../../d9/d37/a04335.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordSLTBRG·Struct·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordSLTBRG·Struct·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>79 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dcb/a04342.html">PartnerAtom</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dcb/a04342.html">PartnerAtom</a></td></tr>
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93 <tr·class="separator:afa35da6ac101bf5f2517d7b3ee485378"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:afa35da6ac101bf5f2517d7b3ee485378"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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95 <tr·class="separator:a12161729e42570c1ea9016b6d431c582"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:a12161729e42570c1ea9016b6d431c582"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table>96 </table>
97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
98 <div·class="textblock">98 <div·class="textblock">
99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l01090">1090</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01090">1090</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
100 </div><h2·class="groupheader">Member·Data·Documentation</h2>100 </div><h2·class="groupheader">Member·Data·Documentation</h2>
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102 <h2·class="memtitle"><span·class="permalink"><a·href="#afa35da6ac101bf5f2517d7b3ee485378">&#9670;&nbsp;</a></span>first_atom</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#afa35da6ac101bf5f2517d7b3ee485378">&#9670;&nbsp;</a></span>first_atom</h2>
  
103 <div·class="memitem">103 <div·class="memitem">
104 <div·class="memproto">104 <div·class="memproto">
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108 ········</tr>108 ········</tr>
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110 </div><div·class="memdoc">110 </div><div·class="memdoc">
  
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l01103">1103</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01103">1103</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
112 </div>112 </div>
113 </div>113 </div>
114 <a·id="ab3b253613a2fd8df0c8a342d31e44874"·name="ab3b253613a2fd8df0c8a342d31e44874"></a>114 <a·id="ab3b253613a2fd8df0c8a342d31e44874"·name="ab3b253613a2fd8df0c8a342d31e44874"></a>
115 <h2·class="memtitle"><span·class="permalink"><a·href="#ab3b253613a2fd8df0c8a342d31e44874">&#9670;&nbsp;</a></span>partner_atom</h2>115 <h2·class="memtitle"><span·class="permalink"><a·href="#ab3b253613a2fd8df0c8a342d31e44874">&#9670;&nbsp;</a></span>partner_atom</h2>
  
116 <div·class="memitem">116 <div·class="memitem">
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122 ······<table·class="memname">122 ······<table·class="memname">
123 ········<tr>123 ········<tr>
124 ··········<td·class="memname"><a·class="el"·href="../../d4/dcb/a04342.html">PartnerAtom</a>·BALL::PDB::RecordSLTBRG::partner_atom[2]</td>124 ··········<td·class="memname"><a·class="el"·href="../../d4/dcb/a04342.html">PartnerAtom</a>·BALL::PDB::RecordSLTBRG::partner_atom[2]</td>
125 ········</tr>125 ········</tr>
126 ······</table>126 ······</table>
127 </div><div·class="memdoc">127 </div><div·class="memdoc">
  
128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l01102">1102</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01102">1102</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
129 </div>129 </div>
130 </div>130 </div>
131 <a·id="aa449b24297f94e6f5c40fdf8fafb34b3"·name="aa449b24297f94e6f5c40fdf8fafb34b3"></a>131 <a·id="aa449b24297f94e6f5c40fdf8fafb34b3"·name="aa449b24297f94e6f5c40fdf8fafb34b3"></a>
132 <h2·class="memtitle"><span·class="permalink"><a·href="#aa449b24297f94e6f5c40fdf8fafb34b3">&#9670;&nbsp;</a></span>record_name</h2>132 <h2·class="memtitle"><span·class="permalink"><a·href="#aa449b24297f94e6f5c40fdf8fafb34b3">&#9670;&nbsp;</a></span>record_name</h2>
  
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72 ··<div·class="headertitle"><div·class="title">BALL::GridBasedScoring::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::GridBasedScoring::Option·Struct·Reference</div></div>
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75 <p><code>#include·&lt;<a·class="el"·href="../../df/da9/a00263_source.html">BALL/SCORING/COMMON/gridBasedScoring.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d3/def/a01985_source.html">BALL/SCORING/COMMON/gridBasedScoring.h</a>&gt;</code></p>
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83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
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87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
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89 <h2·class="memtitle"><span·class="permalink"><a·href="#a0d726c7ab0061252c7780b3f37bb2a3f">&#9670;&nbsp;</a></span>SCOREGRID_INTERPOLATION</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#a0d726c7ab0061252c7780b3f37bb2a3f">&#9670;&nbsp;</a></span>SCOREGRID_INTERPOLATION</h2>
  
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104 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>104 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
105 ··</tr>105 ··</tr>
106 </table>106 </table>
107 </div><div·class="memdoc">107 </div><div·class="memdoc">
108 <p·>determines·whether·or·not·interpolation·should·be·used·in·order·to·calculated·the·score·from·the·precalculated·ScoreGridSets.·</p>108 <p·>determines·whether·or·not·interpolation·should·be·used·in·order·to·calculated·the·score·from·the·precalculated·ScoreGridSets.·</p>
  
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130 ··</tr>130 ··</tr>
131 </table>131 </table>
132 </div><div·class="memdoc">132 </div><div·class="memdoc">
133 <p·>the·resolution·of·the·ScoreGrids·in·units·of·Angstroem·(not·to·be·confused·with·<a·class="el"·href="../../d0/d64/a06166.html#a339f9de3ac313ad500b7e8d3a1b0d9f1">ScoringFunction::resolution_</a>,·which·is·the·resolution·of·the·_Hash_Grid·!!)·</p>133 <p·>the·resolution·of·the·ScoreGrids·in·units·of·Angstroem·(not·to·be·confused·with·<a·class="el"·href="../../d0/d64/a06166.html#a339f9de3ac313ad500b7e8d3a1b0d9f1">ScoringFunction::resolution_</a>,·which·is·the·resolution·of·the·_Hash_Grid·!!)·</p>
  
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/MOLMEC/AMBER/amberNonBonded.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d1a/a00251_source.html">BALL/MATHS/numericalIntegrator.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/dc8/a00242_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/> 
76 </div>75 </div>
77 <p><a·href="../../d6/de1/a00233_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d6/de1/a00233_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">77 <table·class="memberdecls">
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63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#typedef-members">Typedefs</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">secondaryStructureIterator.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">partialChargeProcessor.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/de5/a00503_source.html">BALL/KERNEL/PTE.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d9/dd1/a00398_source.html">BALL/KERNEL/secondaryStructure.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../da/d9c/a00413_source.html">BALL/KERNEL/iterator.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
78 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/predicate.h</a>&gt;</code><br·/>76 <code>#include·&lt;vector&gt;</code><br·/>
 77 <code>#include·&lt;utility&gt;</code><br·/>
79 </div>78 </div>
80 <p><a·href="../../d6/de1/a00356_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d6/de1/a00356_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls">80 <table·class="memberdecls">
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dbd/a04634.html">BALL::SecondaryStructureIteratorTraits</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/db5/a05814.html">BALL::PartialChargeProcessor</a></td></tr>
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
93 Typedefs</h2></td></tr> 
94 <tr·class="memitem:ae1aabe985e9d3c36f3a63c31f919b819"><td·class="memItemLeft"·align="right"·valign="top">typedef·BidirectionalIterator&lt;·Composite,·SecondaryStructure,·Composite::CompositeIterator,·SecondaryStructureIteratorTraits·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ae1aabe985e9d3c36f3a63c31f919b819">BALL::SecondaryStructureIterator</a></td></tr> 
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96 <tr·class="memitem:ab95a5761561813543847861a8dac1b51"><td·class="memItemLeft"·align="right"·valign="top">typedef·ConstBidirectionalIterator&lt;·Composite,·SecondaryStructure,·Composite::CompositeIterator,·SecondaryStructureIteratorTraits·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ab95a5761561813543847861a8dac1b51">BALL::SecondaryStructureConstIterator</a></td></tr> 
97 <tr·class="separator:ab95a5761561813543847861a8dac1b51"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 <tr·class="memitem:a74ef20e8847ff4a3ad7e9bb053756012"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·SecondaryStructureIterator·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a74ef20e8847ff4a3ad7e9bb053756012">BALL::SecondaryStructureReverseIterator</a></td></tr> 
99 <tr·class="separator:a74ef20e8847ff4a3ad7e9bb053756012"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
100 <tr·class="memitem:ad38744852670d6b5a0a647267a36efab"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·SecondaryStructureConstIterator·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ad38744852670d6b5a0a647267a36efab">BALL::SecondaryStructureConstReverseIterator</a></td></tr> 
101 <tr·class="separator:ad38744852670d6b5a0a647267a36efab"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 </table>90 </table>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d2/d44/a05675.html">List·of·all·members</a>··</div>71 <a·href="../../d2/d44/a05675.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::SingularMatrixError·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::SingularMatrixError·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/d51/a20335_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::QSAR::Exception::SingularMatrixError:</div>77 Inheritance·diagram·for·BALL::QSAR::Exception::SingularMatrixError:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d6/de4/a05678.png"·usemap="#BALL::QSAR::Exception::SingularMatrixError_map"·alt=""/>80 ··<img·src="../../d6/de4/a05678.png"·usemap="#BALL::QSAR::Exception::SingularMatrixError_map"·alt=""/>
81 ··<map·id="BALL::QSAR::Exception::SingularMatrixError_map"·name="BALL::QSAR::Exception::SingularMatrixError_map">81 ··<map·id="BALL::QSAR::Exception::SingularMatrixError_map"·name="BALL::QSAR::Exception::SingularMatrixError_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,263,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,263,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
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134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·><a·class="el"·href="../../dd/d67/a02230.html">Exception</a>·for·singular,·i.e.·non-invertible,·matrices·</p>136 <div·class="textblock"><p·><a·class="el"·href="../../dd/d67/a02230.html">Exception</a>·for·singular,·i.e.·non-invertible,·matrices·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d51/a20335_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../db/d51/a20335_source.html">QSAR/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="a8a03967b3d03a0f48935dd4333441493"·name="a8a03967b3d03a0f48935dd4333441493"></a>139 <a·id="a8a03967b3d03a0f48935dd4333441493"·name="a8a03967b3d03a0f48935dd4333441493"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a03967b3d03a0f48935dd4333441493">&#9670;&nbsp;</a></span>SingularMatrixError()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a03967b3d03a0f48935dd4333441493">&#9670;&nbsp;</a></span>SingularMatrixError()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
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143 ······<table·class="memname">143 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../df/d8f/a07379.html">List·of·all·members</a>··</div>71 <a·href="../../df/d8f/a07379.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::TReadWriteLock&lt;·QReadWriteLock·&gt;·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TReadWriteLock&lt;·QReadWriteLock·&gt;·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../de/db5/a01730_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::TReadWriteLock&lt;·QReadWriteLock·&gt;:</div>77 Inheritance·diagram·for·BALL::TReadWriteLock&lt;·QReadWriteLock·&gt;:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d6/de4/a07382.png"·alt=""/>80 ··<img·src="../../d6/de4/a07382.png"·alt=""/>
81 ·</div></div>81 ·</div></div>
82 <table·class="memberdecls">82 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
84 Public·Member·Functions</h2></td></tr>84 Public·Member·Functions</h2></td></tr>
85 <tr·class="memitem:ac67c8980e95bff9fa29135fc85a48790"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/de4/a07382.html#ac67c8980e95bff9fa29135fc85a48790">TReadWriteLock</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·is_recursive=false)</td></tr>85 <tr·class="memitem:ac67c8980e95bff9fa29135fc85a48790"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/de4/a07382.html#ac67c8980e95bff9fa29135fc85a48790">TReadWriteLock</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·is_recursive=false)</td></tr>
86 <tr·class="separator:ac67c8980e95bff9fa29135fc85a48790"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:ac67c8980e95bff9fa29135fc85a48790"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table>87 </table>
88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
89 <div·class="textblock">89 <div·class="textblock">
90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00100">100</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">mutex.h</a>.</p>90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00100">100</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
91 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>91 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
92 <a·id="ac67c8980e95bff9fa29135fc85a48790"·name="ac67c8980e95bff9fa29135fc85a48790"></a>92 <a·id="ac67c8980e95bff9fa29135fc85a48790"·name="ac67c8980e95bff9fa29135fc85a48790"></a>
93 <h2·class="memtitle"><span·class="permalink"><a·href="#ac67c8980e95bff9fa29135fc85a48790">&#9670;&nbsp;</a></span>TReadWriteLock()</h2>93 <h2·class="memtitle"><span·class="permalink"><a·href="#ac67c8980e95bff9fa29135fc85a48790">&#9670;&nbsp;</a></span>TReadWriteLock()</h2>
  
94 <div·class="memitem">94 <div·class="memitem">
95 <div·class="memproto">95 <div·class="memproto">
96 <table·class="mlabels">96 <table·class="mlabels">
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110 ··</td>110 ··</td>
111 ··<td·class="mlabels-right">111 ··<td·class="mlabels-right">
112 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>112 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
113 ··</tr>113 ··</tr>
114 </table>114 </table>
115 </div><div·class="memdoc">115 </div><div·class="memdoc">
  
116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00104">104</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">mutex.h</a>.</p>116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00104">104</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
  
117 </div>117 </div>
118 </div>118 </div>
119 </div><!--·contents·-->119 </div><!--·contents·-->
120 <!--·start·footer·part·-->120 <!--·start·footer·part·-->
121 <hr·class="footer"/><address·class="footer"><small>121 <hr·class="footer"/><address·class="footer"><small>
122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 ··<div·class="headertitle"><div·class="title">BALL::HashMap&lt;·Key,·T·&gt;::IllegalKey·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::HashMap&lt;·Key,·T·&gt;::IllegalKey·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../d0/de9/a03530.html"·title="HashMap·class·based·on·the·STL·map·(containing·serveral·convenience·functions)">HashMap</a>·illegal·key·exception.··75 <p><a·class="el"·href="../../d0/de9/a03530.html"·title="HashMap·class·based·on·the·STL·map·(containing·serveral·convenience·functions)">HashMap</a>·illegal·key·exception.··
76 ·<a·href="../../d6/de6/a03534.html#details">More...</a></p>76 ·<a·href="../../d6/de6/a03534.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d0/d36/a01916_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::HashMap&lt;·Key,·T·&gt;::IllegalKey:</div>79 Inheritance·diagram·for·BALL::HashMap&lt;·Key,·T·&gt;::IllegalKey:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d6/de6/a03534.png"·usemap="#BALL::HashMap_3C_20Key_2C_20T_20_3E::IllegalKey_map"·alt=""/>82 ··<img·src="../../d6/de6/a03534.png"·usemap="#BALL::HashMap_3C_20Key_2C_20T_20_3E::IllegalKey_map"·alt=""/>
83 ··<map·id="BALL::HashMap_3C_20Key_2C_20T_20_3E::IllegalKey_map"·name="BALL::HashMap_3C_20Key_2C_20T_20_3E::IllegalKey_map">83 ··<map·id="BALL::HashMap_3C_20Key_2C_20T_20_3E::IllegalKey_map"·name="BALL::HashMap_3C_20Key_2C_20T_20_3E::IllegalKey_map">
84 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,226,80"/>84 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,226,80"/>
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135 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>135 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
136 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>136 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
137 </table>137 </table>
138 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>138 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
139 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·Key,·class·T&gt;<br·/>139 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·Key,·class·T&gt;<br·/>
140 class·BALL::HashMap&lt;·Key,·T·&gt;::IllegalKey</div><p·><a·class="el"·href="../../d0/de9/a03530.html"·title="HashMap·class·based·on·the·STL·map·(containing·serveral·convenience·functions)">HashMap</a>·illegal·key·exception.·</p>140 class·BALL::HashMap&lt;·Key,·T·&gt;::IllegalKey</div><p·><a·class="el"·href="../../d0/de9/a03530.html"·title="HashMap·class·based·on·the·STL·map·(containing·serveral·convenience·functions)">HashMap</a>·illegal·key·exception.·</p>
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d36/a01916_source.html#l00082">82</a>·of·file·<a·class="el"·href="../../d0/d36/a01916_source.html">hashMap.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d5b/a00695_source.html#l00082">82</a>·of·file·<a·class="el"·href="../../d5/d5b/a00695_source.html">hashMap.h</a>.</p>
142 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>142 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
143 <a·id="ae1e156a449ee3a807f4feabdce0e8ad3"·name="ae1e156a449ee3a807f4feabdce0e8ad3"></a>143 <a·id="ae1e156a449ee3a807f4feabdce0e8ad3"·name="ae1e156a449ee3a807f4feabdce0e8ad3"></a>
144 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1e156a449ee3a807f4feabdce0e8ad3">&#9670;&nbsp;</a></span>IllegalKey()</h2>144 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1e156a449ee3a807f4feabdce0e8ad3">&#9670;&nbsp;</a></span>IllegalKey()</h2>
  
145 <div·class="memitem">145 <div·class="memitem">
146 <div·class="memproto">146 <div·class="memproto">
147 <div·class="memtemplate">147 <div·class="memtemplate">
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173 ··</td>173 ··</td>
174 ··<td·class="mlabels-right">174 ··<td·class="mlabels-right">
175 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>175 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
176 ··</tr>176 ··</tr>
177 </table>177 </table>
178 </div><div·class="memdoc">178 </div><div·class="memdoc">
  
179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d36/a01916_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../d0/d36/a01916_source.html">hashMap.h</a>.</p>179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d5b/a00695_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../d5/d5b/a00695_source.html">hashMap.h</a>.</p>
  
180 </div>180 </div>
181 </div>181 </div>
182 </div><!--·contents·-->182 </div><!--·contents·-->
183 <!--·start·footer·part·-->183 <!--·start·footer·part·-->
184 <hr·class="footer"/><address·class="footer"><small>184 <hr·class="footer"/><address·class="footer"><small>
185 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4185 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;72 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
73 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;73 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
74 <a·href="../../d6/da4/a03663.html">List·of·all·members</a>··</div>74 <a·href="../../d6/da4/a03663.html">List·of·all·members</a>··</div>
75 ··<div·class="headertitle"><div·class="title">BALL::FlexibleMolecule·Class·Reference</div></div>75 ··<div·class="headertitle"><div·class="title">BALL::FlexibleMolecule·Class·Reference</div></div>
76 </div><!--header-->76 </div><!--header-->
77 <div·class="contents">77 <div·class="contents">
  
78 <p><code>#include·&lt;<a·class="el"·href="../../d0/ddb/a00542_source.html">BALL/DOCKING/COMMON/flexibleMolecule.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../da/daf/a01568_source.html">BALL/DOCKING/COMMON/flexibleMolecule.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
80 Inheritance·diagram·for·BALL::FlexibleMolecule:</div>80 Inheritance·diagram·for·BALL::FlexibleMolecule:</div>
81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../d6/de6/a03666.png"·usemap="#BALL::FlexibleMolecule_map"·alt=""/>83 ··<img·src="../../d6/de6/a03666.png"·usemap="#BALL::FlexibleMolecule_map"·alt=""/>
84 ··<map·id="BALL::FlexibleMolecule_map"·name="BALL::FlexibleMolecule_map">84 ··<map·id="BALL::FlexibleMolecule_map"·name="BALL::FlexibleMolecule_map">
85 <area·href="../../d1/d5f/a03706.html"·alt="BALL::Receptor"·shape="rect"·coords="0,56,145,80"/>85 <area·href="../../d1/d5f/a03706.html"·alt="BALL::Receptor"·shape="rect"·coords="0,56,145,80"/>
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146 <tr·class="separator:aa79417775ca49a5fd128cff7a27b07d7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>146 <tr·class="separator:aa79417775ca49a5fd128cff7a27b07d7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
147 <tr·class="memitem:abf0057f60f48c20ba5ac43e66c7dc524"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/de6/a03666.html#abf0057f60f48c20ba5ac43e66c7dc524">molecule_ownership_</a></td></tr>147 <tr·class="memitem:abf0057f60f48c20ba5ac43e66c7dc524"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/de6/a03666.html#abf0057f60f48c20ba5ac43e66c7dc524">molecule_ownership_</a></td></tr>
148 <tr·class="separator:abf0057f60f48c20ba5ac43e66c7dc524"><td·class="memSeparator"·colspan="2">&#160;</td></tr>148 <tr·class="separator:abf0057f60f48c20ba5ac43e66c7dc524"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
149 </table>149 </table>
150 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>150 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
151 <div·class="textblock"><p·><a·class="el"·href="../../d6/de6/a03666.html">FlexibleMolecule</a>·class.·This·class·represents·any·molecule·having·multiple·conformers.·</p>151 <div·class="textblock"><p·><a·class="el"·href="../../d6/de6/a03666.html">FlexibleMolecule</a>·class.·This·class·represents·any·molecule·having·multiple·conformers.·</p>
  
152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/ddb/a00542_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d0/ddb/a00542_source.html">flexibleMolecule.h</a>.</p>152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/daf/a01568_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../da/daf/a01568_source.html">flexibleMolecule.h</a>.</p>
153 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>153 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
154 <a·id="a15e890acee176b276f3af96ddd9b47be"·name="a15e890acee176b276f3af96ddd9b47be"></a>154 <a·id="a15e890acee176b276f3af96ddd9b47be"·name="a15e890acee176b276f3af96ddd9b47be"></a>
155 <h2·class="memtitle"><span·class="permalink"><a·href="#a15e890acee176b276f3af96ddd9b47be">&#9670;&nbsp;</a></span>FlexibleMolecule()·<span·class="overload">[1/2]</span></h2>155 <h2·class="memtitle"><span·class="permalink"><a·href="#a15e890acee176b276f3af96ddd9b47be">&#9670;&nbsp;</a></span>FlexibleMolecule()·<span·class="overload">[1/2]</span></h2>
  
156 <div·class="memitem">156 <div·class="memitem">
157 <div·class="memproto">157 <div·class="memproto">
158 ······<table·class="memname">158 ······<table·class="memname">
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588 ··</td>588 ··</td>
589 ··<td·class="mlabels-right">589 ··<td·class="mlabels-right">
590 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>590 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
591 ··</tr>591 ··</tr>
592 </table>592 </table>
593 </div><div·class="memdoc">593 </div><div·class="memdoc">
  
594 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/ddb/a00542_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../d0/ddb/a00542_source.html">flexibleMolecule.h</a>.</p>594 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/daf/a01568_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../da/daf/a01568_source.html">flexibleMolecule.h</a>.</p>
  
595 </div>595 </div>
596 </div>596 </div>
597 <a·id="a83254e71d58fe82031bad841022f6324"·name="a83254e71d58fe82031bad841022f6324"></a>597 <a·id="a83254e71d58fe82031bad841022f6324"·name="a83254e71d58fe82031bad841022f6324"></a>
598 <h2·class="memtitle"><span·class="permalink"><a·href="#a83254e71d58fe82031bad841022f6324">&#9670;&nbsp;</a></span>conformations</h2>598 <h2·class="memtitle"><span·class="permalink"><a·href="#a83254e71d58fe82031bad841022f6324">&#9670;&nbsp;</a></span>conformations</h2>
  
599 <div·class="memitem">599 <div·class="memitem">
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612 ··</td>612 ··</td>
613 ··<td·class="mlabels-right">613 ··<td·class="mlabels-right">
614 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>614 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
615 ··</tr>615 ··</tr>
616 </table>616 </table>
617 </div><div·class="memdoc">617 </div><div·class="memdoc">
  
618 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/ddb/a00542_source.html#l00113">113</a>·of·file·<a·class="el"·href="../../d0/ddb/a00542_source.html">flexibleMolecule.h</a>.</p>618 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/daf/a01568_source.html#l00113">113</a>·of·file·<a·class="el"·href="../../da/daf/a01568_source.html">flexibleMolecule.h</a>.</p>
  
619 </div>619 </div>
620 </div>620 </div>
621 <a·id="ae1c2a7fc768cdac801685e7370f4bfee"·name="ae1c2a7fc768cdac801685e7370f4bfee"></a>621 <a·id="ae1c2a7fc768cdac801685e7370f4bfee"·name="ae1c2a7fc768cdac801685e7370f4bfee"></a>
622 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1c2a7fc768cdac801685e7370f4bfee">&#9670;&nbsp;</a></span>id</h2>622 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1c2a7fc768cdac801685e7370f4bfee">&#9670;&nbsp;</a></span>id</h2>
  
623 <div·class="memitem">623 <div·class="memitem">
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636 ··</td>636 ··</td>
637 ··<td·class="mlabels-right">637 ··<td·class="mlabels-right">
638 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>638 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
639 ··</tr>639 ··</tr>
640 </table>640 </table>
641 </div><div·class="memdoc">641 </div><div·class="memdoc">
  
642 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/ddb/a00542_source.html#l00110">110</a>·of·file·<a·class="el"·href="../../d0/ddb/a00542_source.html">flexibleMolecule.h</a>.</p>642 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/daf/a01568_source.html#l00110">110</a>·of·file·<a·class="el"·href="../../da/daf/a01568_source.html">flexibleMolecule.h</a>.</p>
  
643 </div>643 </div>
644 </div>644 </div>
645 <a·id="a250113eb9683c992707471d9d1fe620d"·name="a250113eb9683c992707471d9d1fe620d"></a>645 <a·id="a250113eb9683c992707471d9d1fe620d"·name="a250113eb9683c992707471d9d1fe620d"></a>
646 <h2·class="memtitle"><span·class="permalink"><a·href="#a250113eb9683c992707471d9d1fe620d">&#9670;&nbsp;</a></span>molecule</h2>646 <h2·class="memtitle"><span·class="permalink"><a·href="#a250113eb9683c992707471d9d1fe620d">&#9670;&nbsp;</a></span>molecule</h2>
  
647 <div·class="memitem">647 <div·class="memitem">
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660 ··</td>660 ··</td>
661 ··<td·class="mlabels-right">661 ··<td·class="mlabels-right">
662 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>662 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
663 ··</tr>663 ··</tr>
664 </table>664 </table>
665 </div><div·class="memdoc">665 </div><div·class="memdoc">
  
666 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/ddb/a00542_source.html#l00112">112</a>·of·file·<a·class="el"·href="../../d0/ddb/a00542_source.html">flexibleMolecule.h</a>.</p>666 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/daf/a01568_source.html#l00112">112</a>·of·file·<a·class="el"·href="../../da/daf/a01568_source.html">flexibleMolecule.h</a>.</p>
  
667 </div>667 </div>
668 </div>668 </div>
669 <a·id="abf0057f60f48c20ba5ac43e66c7dc524"·name="abf0057f60f48c20ba5ac43e66c7dc524"></a>669 <a·id="abf0057f60f48c20ba5ac43e66c7dc524"·name="abf0057f60f48c20ba5ac43e66c7dc524"></a>
670 <h2·class="memtitle"><span·class="permalink"><a·href="#abf0057f60f48c20ba5ac43e66c7dc524">&#9670;&nbsp;</a></span>molecule_ownership_</h2>670 <h2·class="memtitle"><span·class="permalink"><a·href="#abf0057f60f48c20ba5ac43e66c7dc524">&#9670;&nbsp;</a></span>molecule_ownership_</h2>
  
671 <div·class="memitem">671 <div·class="memitem">
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684 ··</td>684 ··</td>
685 ··<td·class="mlabels-right">685 ··<td·class="mlabels-right">
686 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>686 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
687 ··</tr>687 ··</tr>
688 </table>688 </table>
689 </div><div·class="memdoc">689 </div><div·class="memdoc">
  
690 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/ddb/a00542_source.html#l00115">115</a>·of·file·<a·class="el"·href="../../d0/ddb/a00542_source.html">flexibleMolecule.h</a>.</p>690 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/daf/a01568_source.html#l00115">115</a>·of·file·<a·class="el"·href="../../da/daf/a01568_source.html">flexibleMolecule.h</a>.</p>
  
691 </div>691 </div>
692 </div>692 </div>
693 </div><!--·contents·-->693 </div><!--·contents·-->
694 <!--·start·footer·part·-->694 <!--·start·footer·part·-->
695 <hr·class="footer"/><address·class="footer"><small>695 <hr·class="footer"/><address·class="footer"><small>
696 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4696 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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74 ··<div·class="headertitle"><div·class="title">BALL::MMFF94NonBonded·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::MMFF94NonBonded·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d0/d3c/a00971_source.html">BALL/MOLMEC/MMFF94/MMFF94NonBonded.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d3/d00/a00113_source.html">BALL/MOLMEC/MMFF94/MMFF94NonBonded.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
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80 <div·class="dyncontent">80 <div·class="dyncontent">
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259 <tr·class="inherit_header·pro_methods_a06162"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06162')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>259 <tr·class="inherit_header·pro_methods_a06162"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06162')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>
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261 <tr·class="separator:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>261 <tr·class="separator:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
262 </table>262 </table>
263 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>263 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
264 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·NonBonded·(VdW·+·<a·class="el"·href="../../d1/d66/a06266.html">Electrostatic</a>)·component·</p>264 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·NonBonded·(VdW·+·<a·class="el"·href="../../d1/d66/a06266.html">Electrostatic</a>)·component·</p>
  
265 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d3c/a00971_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d0/d3c/a00971_source.html">MMFF94NonBonded.h</a>.</p>265 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d00/a00113_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d3/d00/a00113_source.html">MMFF94NonBonded.h</a>.</p>
266 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>266 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
267 <a·id="a0787719db10f6ceca9a3e31d7e6b509e"·name="a0787719db10f6ceca9a3e31d7e6b509e"></a>267 <a·id="a0787719db10f6ceca9a3e31d7e6b509e"·name="a0787719db10f6ceca9a3e31d7e6b509e"></a>
268 <h2·class="memtitle"><span·class="permalink"><a·href="#a0787719db10f6ceca9a3e31d7e6b509e">&#9670;&nbsp;</a></span>MMFF94NonBonded()·<span·class="overload">[1/3]</span></h2>268 <h2·class="memtitle"><span·class="permalink"><a·href="#a0787719db10f6ceca9a3e31d7e6b509e">&#9670;&nbsp;</a></span>MMFF94NonBonded()·<span·class="overload">[1/3]</span></h2>
  
269 <div·class="memitem">269 <div·class="memitem">
270 <div·class="memproto">270 <div·class="memproto">
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430 ··</tr>430 ··</tr>
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433 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d3c/a00971_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../d0/d3c/a00971_source.html">MMFF94NonBonded.h</a>.</p>433 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d00/a00113_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../d3/d00/a00113_source.html">MMFF94NonBonded.h</a>.</p>
  
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437 <h2·class="memtitle"><span·class="permalink"><a·href="#a149e2d2cde35c16d099fc9bc6f6ecd04">&#9670;&nbsp;</a></span>getESEnergy()</h2>437 <h2·class="memtitle"><span·class="permalink"><a·href="#a149e2d2cde35c16d099fc9bc6f6ecd04">&#9670;&nbsp;</a></span>getESEnergy()</h2>
  
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477 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d3c/a00971_source.html#l00117">117</a>·of·file·<a·class="el"·href="../../d0/d3c/a00971_source.html">MMFF94NonBonded.h</a>.</p>477 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d00/a00113_source.html#l00117">117</a>·of·file·<a·class="el"·href="../../d3/d00/a00113_source.html">MMFF94NonBonded.h</a>.</p>
  
478 </div>478 </div>
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480 <a·id="a830617aa381aea7c6ec955ba63578e15"·name="a830617aa381aea7c6ec955ba63578e15"></a>480 <a·id="a830617aa381aea7c6ec955ba63578e15"·name="a830617aa381aea7c6ec955ba63578e15"></a>
481 <h2·class="memtitle"><span·class="permalink"><a·href="#a830617aa381aea7c6ec955ba63578e15">&#9670;&nbsp;</a></span>getVDWEnergy()</h2>481 <h2·class="memtitle"><span·class="permalink"><a·href="#a830617aa381aea7c6ec955ba63578e15">&#9670;&nbsp;</a></span>getVDWEnergy()</h2>
  
482 <div·class="memitem">482 <div·class="memitem">
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677 ··</td>677 ··</td>
678 ··<td·class="mlabels-right">678 ··<td·class="mlabels-right">
679 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>679 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
680 ··</tr>680 ··</tr>
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683 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d3c/a00971_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d0/d3c/a00971_source.html">MMFF94NonBonded.h</a>.</p>683 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d00/a00113_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d3/d00/a00113_source.html">MMFF94NonBonded.h</a>.</p>
  
684 </div>684 </div>
685 </div>685 </div>
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687 <h2·class="memtitle"><span·class="permalink"><a·href="#a3fa98c3460094d3e74bf1422a304bbd6">&#9670;&nbsp;</a></span>vdw_energy_</h2>687 <h2·class="memtitle"><span·class="permalink"><a·href="#a3fa98c3460094d3e74bf1422a304bbd6">&#9670;&nbsp;</a></span>vdw_energy_</h2>
  
688 <div·class="memitem">688 <div·class="memitem">
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701 ··</td>701 ··</td>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">stage.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">HTMLPage.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;QtCore/QHash&gt;</code><br·/>
 76 <code>#include·&lt;QtWebEngineWidgets/QWebEnginePage&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d4/d29/a01817_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d7/d02/a01808_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../dd/ddc/a01802_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d2/d21/a01484_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../d6/d80/a01076_source.html">BALL/VIEW/KERNEL/representation.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/> 
81 <code>#include·&lt;<a·class="el"·href="../../d3/ddc/a01142_source.html">BALL/VIEW/RENDERING/camera.h</a>&gt;</code><br·/> 
82 </div>77 </div>
83 <p><a·href="../../d6/dea/a01094_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d6/dea/a01094_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">79 <table·class="memberdecls">
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90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../db/de6/a05607.html">List·of·all·members</a>··</div>71 <a·href="../../db/de6/a05607.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::AutomaticModelCreator·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::AutomaticModelCreator·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d5b/a02078_source.html">BALL/QSAR/automaticModelCreator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dd/df5/a00386_source.html">BALL/QSAR/automaticModelCreator.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:a767944508fe16436033f5ccdbc143897"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dea/a05610.html#a767944508fe16436033f5ccdbc143897">AutomaticModelCreator</a>·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·*data)</td></tr>79 <tr·class="memitem:a767944508fe16436033f5ccdbc143897"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dea/a05610.html#a767944508fe16436033f5ccdbc143897">AutomaticModelCreator</a>·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·*data)</td></tr>
80 <tr·class="separator:a767944508fe16436033f5ccdbc143897"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a767944508fe16436033f5ccdbc143897"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a7c652cb7994da8ca3b23b5bc50e9c3d5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d9/dc9/a05774.html">Model</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dea/a05610.html#a7c652cb7994da8ca3b23b5bc50e9c3d5">generateModel</a>·()</td></tr>81 <tr·class="memitem:a7c652cb7994da8ca3b23b5bc50e9c3d5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d9/dc9/a05774.html">Model</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dea/a05610.html#a7c652cb7994da8ca3b23b5bc50e9c3d5">generateModel</a>·()</td></tr>
82 <tr·class="separator:a7c652cb7994da8ca3b23b5bc50e9c3d5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a7c652cb7994da8ca3b23b5bc50e9c3d5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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86 <tr·class="memitem:a9e1a9a8a2d196a5efc8b0c80fd63ac2f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dea/a05610.html#a9e1a9a8a2d196a5efc8b0c80fd63ac2f">setMinQuality</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·min_quality)</td></tr>86 <tr·class="memitem:a9e1a9a8a2d196a5efc8b0c80fd63ac2f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dea/a05610.html#a9e1a9a8a2d196a5efc8b0c80fd63ac2f">setMinQuality</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·min_quality)</td></tr>
87 <tr·class="separator:a9e1a9a8a2d196a5efc8b0c80fd63ac2f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a9e1a9a8a2d196a5efc8b0c80fd63ac2f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock"><p·>A·class·for·automatic·creation·of·the·most·appropriate·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·model.<br··/>90 <div·class="textblock"><p·>A·class·for·automatic·creation·of·the·most·appropriate·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·model.<br··/>
91 All·available·model-types·are·therefore·evaluated·using·nested·cross-validation·and·several·successive·feature·selection·steps.·</p>91 All·available·model-types·are·therefore·evaluated·using·nested·cross-validation·and·several·successive·feature·selection·steps.·</p>
  
92 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d5b/a02078_source.html#l00012">12</a>·of·file·<a·class="el"·href="../../d6/d5b/a02078_source.html">automaticModelCreator.h</a>.</p>92 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df5/a00386_source.html#l00012">12</a>·of·file·<a·class="el"·href="../../dd/df5/a00386_source.html">automaticModelCreator.h</a>.</p>
93 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>93 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
94 <a·id="a767944508fe16436033f5ccdbc143897"·name="a767944508fe16436033f5ccdbc143897"></a>94 <a·id="a767944508fe16436033f5ccdbc143897"·name="a767944508fe16436033f5ccdbc143897"></a>
95 <h2·class="memtitle"><span·class="permalink"><a·href="#a767944508fe16436033f5ccdbc143897">&#9670;&nbsp;</a></span>AutomaticModelCreator()</h2>95 <h2·class="memtitle"><span·class="permalink"><a·href="#a767944508fe16436033f5ccdbc143897">&#9670;&nbsp;</a></span>AutomaticModelCreator()</h2>
  
96 <div·class="memitem">96 <div·class="memitem">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../d9/da0/a06359.html">List·of·all·members</a>··</div>72 <a·href="../../d9/da0/a06359.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::Solvation·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::Solvation·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../dd/d59/a20371_source.html">BALL/SCORING/COMPONENTS/solvation.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d0/df7/a20389_source.html">BALL/SCORING/COMPONENTS/solvation.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::Solvation:</div>78 Inheritance·diagram·for·BALL::Solvation:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d6/deb/a06362.png"·usemap="#BALL::Solvation_map"·alt=""/>81 ··<img·src="../../d6/deb/a06362.png"·usemap="#BALL::Solvation_map"·alt=""/>
82 ··<map·id="BALL::Solvation_map"·name="BALL::Solvation_map">82 ··<map·id="BALL::Solvation_map"·name="BALL::Solvation_map">
83 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,191,24"/>83 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,191,24"/>
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186 Additional·Inherited·Members</h2></td></tr>186 Additional·Inherited·Members</h2></td></tr>
187 <tr·class="inherit_header·pro_methods_a06162"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06162')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>187 <tr·class="inherit_header·pro_methods_a06162"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06162')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>
188 <tr·class="memitem:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#af0e53f17f9760bf500c2dbcf15d7fa3e">scaleScore</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·score)·const</td></tr>188 <tr·class="memitem:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#af0e53f17f9760bf500c2dbcf15d7fa3e">scaleScore</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·score)·const</td></tr>
189 <tr·class="separator:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>189 <tr·class="separator:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
190 </table>190 </table>
191 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>191 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
192 <div·class="textblock">192 <div·class="textblock">
193 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d59/a20371_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../dd/d59/a20371_source.html">SCORING/COMPONENTS/solvation.h</a>.</p>193 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/df7/a20389_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d0/df7/a20389_source.html">SCORING/COMPONENTS/solvation.h</a>.</p>
194 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>194 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
195 <a·id="ac3ed73a227c4587117652b3f11d97e12"·name="ac3ed73a227c4587117652b3f11d97e12"></a>195 <a·id="ac3ed73a227c4587117652b3f11d97e12"·name="ac3ed73a227c4587117652b3f11d97e12"></a>
196 <h2·class="memtitle"><span·class="permalink"><a·href="#ac3ed73a227c4587117652b3f11d97e12">&#9670;&nbsp;</a></span>Solvation()</h2>196 <h2·class="memtitle"><span·class="permalink"><a·href="#ac3ed73a227c4587117652b3f11d97e12">&#9670;&nbsp;</a></span>Solvation()</h2>
  
197 <div·class="memitem">197 <div·class="memitem">
198 <div·class="memproto">198 <div·class="memproto">
199 ······<table·class="memname">199 ······<table·class="memname">
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287 ··</td>287 ··</td>
288 ··<td·class="mlabels-right">288 ··<td·class="mlabels-right">
289 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>289 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
290 ··</tr>290 ··</tr>
291 </table>291 </table>
292 </div><div·class="memdoc">292 </div><div·class="memdoc">
  
293 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d59/a20371_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../dd/d59/a20371_source.html">SCORING/COMPONENTS/solvation.h</a>.</p>293 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/df7/a20389_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d0/df7/a20389_source.html">SCORING/COMPONENTS/solvation.h</a>.</p>
  
294 </div>294 </div>
295 </div>295 </div>
296 <a·id="a42d534d3a1a82339c6fc1a8f9454d081"·name="a42d534d3a1a82339c6fc1a8f9454d081"></a>296 <a·id="a42d534d3a1a82339c6fc1a8f9454d081"·name="a42d534d3a1a82339c6fc1a8f9454d081"></a>
297 <h2·class="memtitle"><span·class="permalink"><a·href="#a42d534d3a1a82339c6fc1a8f9454d081">&#9670;&nbsp;</a></span>solvation_volumes</h2>297 <h2·class="memtitle"><span·class="permalink"><a·href="#a42d534d3a1a82339c6fc1a8f9454d081">&#9670;&nbsp;</a></span>solvation_volumes</h2>
  
298 <div·class="memitem">298 <div·class="memitem">
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311 ··</td>311 ··</td>
312 ··<td·class="mlabels-right">312 ··<td·class="mlabels-right">
313 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>313 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
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317 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d59/a20371_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../dd/d59/a20371_source.html">SCORING/COMPONENTS/solvation.h</a>.</p>317 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/df7/a20389_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d0/df7/a20389_source.html">SCORING/COMPONENTS/solvation.h</a>.</p>
  
318 </div>318 </div>
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320 </div><!--·contents·-->320 </div><!--·contents·-->
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../d7/ddd/a03939.html">List·of·all·members</a>··</div>72 <a·href="../../d7/ddd/a03939.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::JCAMPFile::JCAMPValue·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::JCAMPFile::JCAMPValue·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../dc/d87/a00032_source.html">BALL/FORMAT/JCAMPFile.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dd/d08/a00884_source.html">BALL/FORMAT/JCAMPFile.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:aae4a0dca0d04dbd5d12fcf7da1480ca8"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/ded/a03942.html#aae4a0dca0d04dbd5d12fcf7da1480ca8">JCAMPValue</a>·()</td></tr>80 <tr·class="memitem:aae4a0dca0d04dbd5d12fcf7da1480ca8"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/ded/a03942.html#aae4a0dca0d04dbd5d12fcf7da1480ca8">JCAMPValue</a>·()</td></tr>
81 <tr·class="separator:aae4a0dca0d04dbd5d12fcf7da1480ca8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:aae4a0dca0d04dbd5d12fcf7da1480ca8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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92 <tr·class="memitem:a93c800a2a75cc94f05637ce1fde87691"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/ded/a03942.html#a93c800a2a75cc94f05637ce1fde87691">numeric_value</a></td></tr>92 <tr·class="memitem:a93c800a2a75cc94f05637ce1fde87691"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/ded/a03942.html#a93c800a2a75cc94f05637ce1fde87691">numeric_value</a></td></tr>
93 <tr·class="separator:a93c800a2a75cc94f05637ce1fde87691"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:a93c800a2a75cc94f05637ce1fde87691"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 <tr·class="memitem:a76af8c31a200cf051e85e07b431b1861"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d4/dc4/a03938.html#a7bdad74195e9c349954e351861e3f991">ContentType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/ded/a03942.html#a76af8c31a200cf051e85e07b431b1861">type</a></td></tr>94 <tr·class="memitem:a76af8c31a200cf051e85e07b431b1861"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d4/dc4/a03938.html#a7bdad74195e9c349954e351861e3f991">ContentType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/ded/a03942.html#a76af8c31a200cf051e85e07b431b1861">type</a></td></tr>
95 <tr·class="separator:a76af8c31a200cf051e85e07b431b1861"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:a76af8c31a200cf051e85e07b431b1861"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table>96 </table>
97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
98 <div·class="textblock">98 <div·class="textblock">
99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a00032_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../dc/d87/a00032_source.html">JCAMPFile.h</a>.</p>99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a00884_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../dd/d08/a00884_source.html">JCAMPFile.h</a>.</p>
100 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>100 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
101 <a·id="aae4a0dca0d04dbd5d12fcf7da1480ca8"·name="aae4a0dca0d04dbd5d12fcf7da1480ca8"></a>101 <a·id="aae4a0dca0d04dbd5d12fcf7da1480ca8"·name="aae4a0dca0d04dbd5d12fcf7da1480ca8"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#aae4a0dca0d04dbd5d12fcf7da1480ca8">&#9670;&nbsp;</a></span>JCAMPValue()</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#aae4a0dca0d04dbd5d12fcf7da1480ca8">&#9670;&nbsp;</a></span>JCAMPValue()</h2>
  
103 <div·class="memitem">103 <div·class="memitem">
104 <div·class="memproto">104 <div·class="memproto">
105 <table·class="mlabels">105 <table·class="mlabels">
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117 ··</td>117 ··</td>
118 ··<td·class="mlabels-right">118 ··<td·class="mlabels-right">
119 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>119 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
120 ··</tr>120 ··</tr>
121 </table>121 </table>
122 </div><div·class="memdoc">122 </div><div·class="memdoc">
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a00032_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../dc/d87/a00032_source.html">JCAMPFile.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a00884_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../dd/d08/a00884_source.html">JCAMPFile.h</a>.</p>
  
124 </div>124 </div>
125 </div>125 </div>
126 <h2·class="groupheader">Member·Function·Documentation</h2>126 <h2·class="groupheader">Member·Function·Documentation</h2>
127 <a·id="a396bf5a557aa768cd6e2e8d9caf6b1c1"·name="a396bf5a557aa768cd6e2e8d9caf6b1c1"></a>127 <a·id="a396bf5a557aa768cd6e2e8d9caf6b1c1"·name="a396bf5a557aa768cd6e2e8d9caf6b1c1"></a>
128 <h2·class="memtitle"><span·class="permalink"><a·href="#a396bf5a557aa768cd6e2e8d9caf6b1c1">&#9670;&nbsp;</a></span>operator!=()</h2>128 <h2·class="memtitle"><span·class="permalink"><a·href="#a396bf5a557aa768cd6e2e8d9caf6b1c1">&#9670;&nbsp;</a></span>operator!=()</h2>
  
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171 ······<table·class="memname">171 ······<table·class="memname">
172 ········<tr>172 ········<tr>
173 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::JCAMPFile::JCAMPValue::numeric_value</td>173 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::JCAMPFile::JCAMPValue::numeric_value</td>
174 ········</tr>174 ········</tr>
175 ······</table>175 ······</table>
176 </div><div·class="memdoc">176 </div><div·class="memdoc">
  
177 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a00032_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../dc/d87/a00032_source.html">JCAMPFile.h</a>.</p>177 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a00884_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../dd/d08/a00884_source.html">JCAMPFile.h</a>.</p>
  
178 </div>178 </div>
179 </div>179 </div>
180 <a·id="abe59ebe3a423fbb238b8f43f484c6228"·name="abe59ebe3a423fbb238b8f43f484c6228"></a>180 <a·id="abe59ebe3a423fbb238b8f43f484c6228"·name="abe59ebe3a423fbb238b8f43f484c6228"></a>
181 <h2·class="memtitle"><span·class="permalink"><a·href="#abe59ebe3a423fbb238b8f43f484c6228">&#9670;&nbsp;</a></span>string_value</h2>181 <h2·class="memtitle"><span·class="permalink"><a·href="#abe59ebe3a423fbb238b8f43f484c6228">&#9670;&nbsp;</a></span>string_value</h2>
  
182 <div·class="memitem">182 <div·class="memitem">
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188 ········<tr>188 ········<tr>
189 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::JCAMPFile::JCAMPValue::string_value</td>189 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::JCAMPFile::JCAMPValue::string_value</td>
190 ········</tr>190 ········</tr>
191 ······</table>191 ······</table>
192 </div><div·class="memdoc">192 </div><div·class="memdoc">
  
193 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a00032_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../dc/d87/a00032_source.html">JCAMPFile.h</a>.</p>193 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a00884_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../dd/d08/a00884_source.html">JCAMPFile.h</a>.</p>
  
194 </div>194 </div>
195 </div>195 </div>
196 <a·id="a76af8c31a200cf051e85e07b431b1861"·name="a76af8c31a200cf051e85e07b431b1861"></a>196 <a·id="a76af8c31a200cf051e85e07b431b1861"·name="a76af8c31a200cf051e85e07b431b1861"></a>
197 <h2·class="memtitle"><span·class="permalink"><a·href="#a76af8c31a200cf051e85e07b431b1861">&#9670;&nbsp;</a></span>type</h2>197 <h2·class="memtitle"><span·class="permalink"><a·href="#a76af8c31a200cf051e85e07b431b1861">&#9670;&nbsp;</a></span>type</h2>
  
198 <div·class="memitem">198 <div·class="memitem">
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204 ········<tr>204 ········<tr>
205 ··········<td·class="memname"><a·class="el"·href="../../d4/dc4/a03938.html#a7bdad74195e9c349954e351861e3f991">ContentType</a>·BALL::JCAMPFile::JCAMPValue::type</td>205 ··········<td·class="memname"><a·class="el"·href="../../d4/dc4/a03938.html#a7bdad74195e9c349954e351861e3f991">ContentType</a>·BALL::JCAMPFile::JCAMPValue::type</td>
206 ········</tr>206 ········</tr>
207 ······</table>207 ······</table>
208 </div><div·class="memdoc">208 </div><div·class="memdoc">
  
209 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a00032_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../dc/d87/a00032_source.html">JCAMPFile.h</a>.</p>209 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a00884_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../dd/d08/a00884_source.html">JCAMPFile.h</a>.</p>
  
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215 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4215 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;72 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
73 <a·href="../../d2/d2a/a08435.html">List·of·all·members</a>··</div>73 <a·href="../../d2/d2a/a08435.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::LogView·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/deb/a02214.html">Modular·Widgets</a></div></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::LogView·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/deb/a02214.html">Modular·Widgets</a></div></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../de/d2c/a01553_source.html">BALL/VIEW/WIDGETS/logView.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d1/dfa/a01097_source.html">BALL/VIEW/WIDGETS/logView.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::VIEW::LogView:</div>79 Inheritance·diagram·for·BALL::VIEW::LogView:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d6/ded/a08438.png"·usemap="#BALL::VIEW::LogView_map"·alt=""/>82 ··<img·src="../../d6/ded/a08438.png"·usemap="#BALL::VIEW::LogView_map"·alt=""/>
83 ··<map·id="BALL::VIEW::LogView_map"·name="BALL::VIEW::LogView_map">83 ··<map·id="BALL::VIEW::LogView_map"·name="BALL::VIEW::LogView_map">
84 <area·href="../../de/d6b/a08378.html"·alt="BALL::VIEW::DockWidget"·shape="rect"·coords="98,112,285,136"/>84 <area·href="../../de/d6b/a08378.html"·alt="BALL::VIEW::DockWidget"·shape="rect"·coords="98,112,285,136"/>
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300 <tr·class="separator:aa38daaea14af95e6d3a8ce1308785c61·inherit·pro_attribs_a03194"><td·class="memSeparator"·colspan="2">&#160;</td></tr>300 <tr·class="separator:aa38daaea14af95e6d3a8ce1308785c61·inherit·pro_attribs_a03194"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
301 <tr·class="memitem:a211e8e09e78d9c7a51f4d352a51a0c65·inherit·pro_attribs_a03194"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/dd3/a03198.html">LogStream</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc1/a03194.html#a211e8e09e78d9c7a51f4d352a51a0c65">registered_at_</a></td></tr>301 <tr·class="memitem:a211e8e09e78d9c7a51f4d352a51a0c65·inherit·pro_attribs_a03194"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/dd3/a03198.html">LogStream</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc1/a03194.html#a211e8e09e78d9c7a51f4d352a51a0c65">registered_at_</a></td></tr>
302 <tr·class="separator:a211e8e09e78d9c7a51f4d352a51a0c65·inherit·pro_attribs_a03194"><td·class="memSeparator"·colspan="2">&#160;</td></tr>302 <tr·class="separator:a211e8e09e78d9c7a51f4d352a51a0c65·inherit·pro_attribs_a03194"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
303 </table>303 </table>
304 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>304 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
305 <div·class="textblock"><p·><a·class="el"·href="../../d6/ded/a08438.html">LogView</a>·class.·The·class·<a·class="el"·href="../../d6/ded/a08438.html">LogView</a>·records·all·messages·sent·to·the·<a·class="el"·href="../../da/dd3/a03198.html">Log·</a>·object·and·displays·them·as·a·text·history.·The·class·is·derived·from·<b>·<a·class="el"·href="../../d9/dc1/a03194.html">LogStreamNotifier</a>·</b>·that·provides·the·connection·to·the·<a·class="el"·href="../../da/dd3/a03198.html">Log·</a>·object.·The·class·QTextEdit·from·the·qt·-·library·is·responsible·for·the·visualization·of·the·text·history.·Use·the·class·<a·class="el"·href="../../d6/ded/a08438.html">LogView</a>·as·a·widget.·There·are·no·initializations·necessary.·Just·create·this·widget·as·a·child·widget·of·your·application·and·it·will·record·and·show·all·messages·sent·to·the·<a·class="el"·href="../../da/dd3/a03198.html">Log·</a>·object.·</p>305 <div·class="textblock"><p·><a·class="el"·href="../../d6/ded/a08438.html">LogView</a>·class.·The·class·<a·class="el"·href="../../d6/ded/a08438.html">LogView</a>·records·all·messages·sent·to·the·<a·class="el"·href="../../da/dd3/a03198.html">Log·</a>·object·and·displays·them·as·a·text·history.·The·class·is·derived·from·<b>·<a·class="el"·href="../../d9/dc1/a03194.html">LogStreamNotifier</a>·</b>·that·provides·the·connection·to·the·<a·class="el"·href="../../da/dd3/a03198.html">Log·</a>·object.·The·class·QTextEdit·from·the·qt·-·library·is·responsible·for·the·visualization·of·the·text·history.·Use·the·class·<a·class="el"·href="../../d6/ded/a08438.html">LogView</a>·as·a·widget.·There·are·no·initializations·necessary.·Just·create·this·widget·as·a·child·widget·of·your·application·and·it·will·record·and·show·all·messages·sent·to·the·<a·class="el"·href="../../da/dd3/a03198.html">Log·</a>·object.·</p>
  
306 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d2c/a01553_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../de/d2c/a01553_source.html">logView.h</a>.</p>306 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dfa/a01097_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d1/dfa/a01097_source.html">logView.h</a>.</p>
307 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>307 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
308 <a·id="aba2733fa5a361c8b6697ccc777b6f598"·name="aba2733fa5a361c8b6697ccc777b6f598"></a>308 <a·id="aba2733fa5a361c8b6697ccc777b6f598"·name="aba2733fa5a361c8b6697ccc777b6f598"></a>
309 <h2·class="memtitle"><span·class="permalink"><a·href="#aba2733fa5a361c8b6697ccc777b6f598">&#9670;&nbsp;</a></span>LogView()·<span·class="overload">[1/2]</span></h2>309 <h2·class="memtitle"><span·class="permalink"><a·href="#aba2733fa5a361c8b6697ccc777b6f598">&#9670;&nbsp;</a></span>LogView()·<span·class="overload">[1/2]</span></h2>
  
310 <div·class="memitem">310 <div·class="memitem">
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li><li·class="navelem"><a·class="el"·href="../../dir_63800ef38c29322dc72b2a63f41a2424.html">RENDERERS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">bufferedRenderer.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">displayProperties.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/db6/a01172_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/d65/a01145_source.html">BALL/VIEW/RENDERING/renderTarget.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;BALL/VIEW/UIC/ui_displayProperties.h&gt;</code><br·/>
76 </div>79 </div>
77 <p><a·href="../../d6/df2/a01175_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../d6/df2/a01175_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">81 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>83 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d0b/a08254.html">BALL::VIEW::BufferedRenderer</a></td></tr>84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dde/a07566.html">BALL::VIEW::DisplayProperties</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table><table·class="memberdecls">86 </table><table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
85 Namespaces</h2></td></tr>88 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>91 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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72 ··<div·class="headertitle"><div·class="title">BALL::BuildBondsProcessor::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::BuildBondsProcessor::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../d6/df9/a06826.html"·title="Option·names.">Option</a>·names.··75 <p><a·class="el"·href="../../d6/df9/a06826.html"·title="Option·names.">Option</a>·names.··
76 ·<a·href="../../d6/df9/a06826.html#details">More...</a></p>76 ·<a·href="../../d6/df9/a06826.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d1/d04/a00713_source.html">BALL/STRUCTURE/buildBondsProcessor.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../dd/d8d/a01667_source.html">BALL/STRUCTURE/buildBondsProcessor.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
80 Static·Public·Attributes</h2></td></tr>80 Static·Public·Attributes</h2></td></tr>
81 <tr·class="memitem:a8daa794235dd2800e43c0b15c182b729"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/df9/a06826.html#a8daa794235dd2800e43c0b15c182b729">BONDLENGTHS_FILENAME</a></td></tr>81 <tr·class="memitem:a8daa794235dd2800e43c0b15c182b729"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/df9/a06826.html#a8daa794235dd2800e43c0b15c182b729">BONDLENGTHS_FILENAME</a></td></tr>
82 <tr·class="separator:a8daa794235dd2800e43c0b15c182b729"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a8daa794235dd2800e43c0b15c182b729"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:aefbe50505c49459fa99f6d031fb58091"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/df9/a06826.html#aefbe50505c49459fa99f6d031fb58091">DELETE_EXISTING_BONDS</a></td></tr>83 <tr·class="memitem:aefbe50505c49459fa99f6d031fb58091"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/df9/a06826.html#aefbe50505c49459fa99f6d031fb58091">DELETE_EXISTING_BONDS</a></td></tr>
84 <tr·class="separator:aefbe50505c49459fa99f6d031fb58091"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:aefbe50505c49459fa99f6d031fb58091"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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88 <tr·class="separator:a738ec8819b8ddf313aff4a4671dcab0f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:a738ec8819b8ddf313aff4a4671dcab0f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:a73b33d8239a1e4b1c4fa5f4b204b0e6c"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/df9/a06826.html#a73b33d8239a1e4b1c4fa5f4b204b0e6c">DELETE_OVERESTIMATED_BONDS</a></td></tr>89 <tr·class="memitem:a73b33d8239a1e4b1c4fa5f4b204b0e6c"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/df9/a06826.html#a73b33d8239a1e4b1c4fa5f4b204b0e6c">DELETE_OVERESTIMATED_BONDS</a></td></tr>
90 <tr·class="separator:a73b33d8239a1e4b1c4fa5f4b204b0e6c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a73b33d8239a1e4b1c4fa5f4b204b0e6c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table>91 </table>
92 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>92 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
93 <div·class="textblock"><p·><a·class="el"·href="../../d6/df9/a06826.html"·title="Option·names.">Option</a>·names.·</p>93 <div·class="textblock"><p·><a·class="el"·href="../../d6/df9/a06826.html"·title="Option·names.">Option</a>·names.·</p>
  
94 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d04/a00713_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d1/d04/a00713_source.html">buildBondsProcessor.h</a>.</p>94 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">buildBondsProcessor.h</a>.</p>
95 </div><h2·class="groupheader">Member·Data·Documentation</h2>95 </div><h2·class="groupheader">Member·Data·Documentation</h2>
96 <a·id="a8daa794235dd2800e43c0b15c182b729"·name="a8daa794235dd2800e43c0b15c182b729"></a>96 <a·id="a8daa794235dd2800e43c0b15c182b729"·name="a8daa794235dd2800e43c0b15c182b729"></a>
97 <h2·class="memtitle"><span·class="permalink"><a·href="#a8daa794235dd2800e43c0b15c182b729">&#9670;&nbsp;</a></span>BONDLENGTHS_FILENAME</h2>97 <h2·class="memtitle"><span·class="permalink"><a·href="#a8daa794235dd2800e43c0b15c182b729">&#9670;&nbsp;</a></span>BONDLENGTHS_FILENAME</h2>
  
98 <div·class="memitem">98 <div·class="memitem">
99 <div·class="memproto">99 <div·class="memproto">
100 <table·class="mlabels">100 <table·class="mlabels">
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111 ··<td·class="mlabels-right">111 ··<td·class="mlabels-right">
112 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>112 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
113 ··</tr>113 ··</tr>
114 </table>114 </table>
115 </div><div·class="memdoc">115 </div><div·class="memdoc">
116 <p·>Name·to·the·file·where·the·bonds·lengths,·max·and·min·bond·lengths·are·stored·in.·</p>116 <p·>Name·to·the·file·where·the·bonds·lengths,·max·and·min·bond·lengths·are·stored·in.·</p>
  
117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d04/a00713_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d1/d04/a00713_source.html">buildBondsProcessor.h</a>.</p>117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">buildBondsProcessor.h</a>.</p>
  
118 </div>118 </div>
119 </div>119 </div>
120 <a·id="aefbe50505c49459fa99f6d031fb58091"·name="aefbe50505c49459fa99f6d031fb58091"></a>120 <a·id="aefbe50505c49459fa99f6d031fb58091"·name="aefbe50505c49459fa99f6d031fb58091"></a>
121 <h2·class="memtitle"><span·class="permalink"><a·href="#aefbe50505c49459fa99f6d031fb58091">&#9670;&nbsp;</a></span>DELETE_EXISTING_BONDS</h2>121 <h2·class="memtitle"><span·class="permalink"><a·href="#aefbe50505c49459fa99f6d031fb58091">&#9670;&nbsp;</a></span>DELETE_EXISTING_BONDS</h2>
  
122 <div·class="memitem">122 <div·class="memitem">
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136 ··<td·class="mlabels-right">136 ··<td·class="mlabels-right">
137 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>137 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
138 ··</tr>138 ··</tr>
139 </table>139 </table>
140 </div><div·class="memdoc">140 </div><div·class="memdoc">
141 <p·>If·true,·the·existing·bonds·are·deleted·before·bonds·detection·begins.·If·the·atoms·are·in·non-bond·distance·no·bonds·will·be·build!·Note·that·the·processor·cannot·rebuild·inter-atomcontainer·bonds,·that·will·cause·problem·using·it·with·proteins.·</p>141 <p·>If·true,·the·existing·bonds·are·deleted·before·bonds·detection·begins.·If·the·atoms·are·in·non-bond·distance·no·bonds·will·be·build!·Note·that·the·processor·cannot·rebuild·inter-atomcontainer·bonds,·that·will·cause·problem·using·it·with·proteins.·</p>
  
142 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d04/a00713_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d1/d04/a00713_source.html">buildBondsProcessor.h</a>.</p>142 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">buildBondsProcessor.h</a>.</p>
  
143 </div>143 </div>
144 </div>144 </div>
145 <a·id="a73b33d8239a1e4b1c4fa5f4b204b0e6c"·name="a73b33d8239a1e4b1c4fa5f4b204b0e6c"></a>145 <a·id="a73b33d8239a1e4b1c4fa5f4b204b0e6c"·name="a73b33d8239a1e4b1c4fa5f4b204b0e6c"></a>
146 <h2·class="memtitle"><span·class="permalink"><a·href="#a73b33d8239a1e4b1c4fa5f4b204b0e6c">&#9670;&nbsp;</a></span>DELETE_OVERESTIMATED_BONDS</h2>146 <h2·class="memtitle"><span·class="permalink"><a·href="#a73b33d8239a1e4b1c4fa5f4b204b0e6c">&#9670;&nbsp;</a></span>DELETE_OVERESTIMATED_BONDS</h2>
  
147 <div·class="memitem">147 <div·class="memitem">
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161 ··<td·class="mlabels-right">161 ··<td·class="mlabels-right">
162 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>162 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
163 ··</tr>163 ··</tr>
164 </table>164 </table>
165 </div><div·class="memdoc">165 </div><div·class="memdoc">
166 <p·>If·this·option·is·set·to·true·an·additional·cleaning·step·is·performed.·Overpredicted·bonds·like·at·multiple·bonds·at·hydrogen·or·halogens·are·deleted,·only·the·shortest·bond·will·stay.·</p>166 <p·>If·this·option·is·set·to·true·an·additional·cleaning·step·is·performed.·Overpredicted·bonds·like·at·multiple·bonds·at·hydrogen·or·halogens·are·deleted,·only·the·shortest·bond·will·stay.·</p>
  
167 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d04/a00713_source.html#l00071">71</a>·of·file·<a·class="el"·href="../../d1/d04/a00713_source.html">buildBondsProcessor.h</a>.</p>167 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00071">71</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">buildBondsProcessor.h</a>.</p>
  
168 </div>168 </div>
169 </div>169 </div>
170 <a·id="a738ec8819b8ddf313aff4a4671dcab0f"·name="a738ec8819b8ddf313aff4a4671dcab0f"></a>170 <a·id="a738ec8819b8ddf313aff4a4671dcab0f"·name="a738ec8819b8ddf313aff4a4671dcab0f"></a>
171 <h2·class="memtitle"><span·class="permalink"><a·href="#a738ec8819b8ddf313aff4a4671dcab0f">&#9670;&nbsp;</a></span>REESTIMATE_BONDORDERS_RINGS</h2>171 <h2·class="memtitle"><span·class="permalink"><a·href="#a738ec8819b8ddf313aff4a4671dcab0f">&#9670;&nbsp;</a></span>REESTIMATE_BONDORDERS_RINGS</h2>
  
172 <div·class="memitem">172 <div·class="memitem">
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186 ··<td·class="mlabels-right">186 ··<td·class="mlabels-right">
187 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>187 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
188 ··</tr>188 ··</tr>
189 </table>189 </table>
190 </div><div·class="memdoc">190 </div><div·class="memdoc">
191 <p·>If·this·option·is·set·to·true,·the·molecule·will·be·reprocessed.·In·this·step·the·processor·tries·to·correct·the·somtimes·wrong·orders·of·aromatic·rings.·</p>191 <p·>If·this·option·is·set·to·true,·the·molecule·will·be·reprocessed.·In·this·step·the·processor·tries·to·correct·the·somtimes·wrong·orders·of·aromatic·rings.·</p>
  
192 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d04/a00713_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d1/d04/a00713_source.html">buildBondsProcessor.h</a>.</p>192 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">buildBondsProcessor.h</a>.</p>
  
193 </div>193 </div>
194 </div>194 </div>
195 </div><!--·contents·-->195 </div><!--·contents·-->
196 <!--·start·footer·part·-->196 <!--·start·footer·part·-->
197 <hr·class="footer"/><address·class="footer"><small>197 <hr·class="footer"/><address·class="footer"><small>
198 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4198 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
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70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#typedef-members">Typedefs</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">piecewiseFunction.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">RDFIntegrator.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d31/a01811_source.html">BALL/STRUCTURE/radialDistributionFunction.h</a>&gt;</code><br·/>
76 <code>#include·&lt;limits&gt;</code><br·/> 
77 </div>75 </div>
78 <p><a·href="../../d6/dfc/a01814_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d6/dfc/a01814_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">77 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>79 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d60/a04878.html">BALL::PiecewiseFunction</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d92/a07030.html">BALL::RDFIntegrator</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
84 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
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86 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls"> 
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
91 Typedefs</h2></td></tr> 
92 <tr·class="memitem:gaa649a1311071bb1ec10fced6556f62d5"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::vector&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dbf/a02161.html#gaa649a1311071bb1ec10fced6556f62d5">BALL::Coefficients</a></td></tr> 
93 <tr·class="separator:gaa649a1311071bb1ec10fced6556f62d5"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
94 <tr·class="memitem:a6491c39aea67f1a9a33305d5f000bc2f"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::pair&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a6491c39aea67f1a9a33305d5f000bc2f">BALL::Interval</a></td></tr> 
95 <tr·class="separator:a6491c39aea67f1a9a33305d5f000bc2f"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
96 </table>87 </table>
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73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::EnergyMinimizerThread·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::EnergyMinimizerThread·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p>Thread·for·EnergyMinimization.··76 <p>Thread·for·EnergyMinimization.··
77 ·<a·href="../../d6/dfc/a08002.html#details">More...</a></p>77 ·<a·href="../../d6/dfc/a08002.html#details">More...</a></p>
  
78 <p><code>#include·&lt;<a·class="el"·href="../../dd/d09/a01118_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
80 Inheritance·diagram·for·BALL::VIEW::EnergyMinimizerThread:</div>80 Inheritance·diagram·for·BALL::VIEW::EnergyMinimizerThread:</div>
81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../d6/dfc/a08002.png"·usemap="#BALL::VIEW::EnergyMinimizerThread_map"·alt=""/>83 ··<img·src="../../d6/dfc/a08002.png"·usemap="#BALL::VIEW::EnergyMinimizerThread_map"·alt=""/>
84 ··<map·id="BALL::VIEW::EnergyMinimizerThread_map"·name="BALL::VIEW::EnergyMinimizerThread_map">84 ··<map·id="BALL::VIEW::EnergyMinimizerThread_map"·name="BALL::VIEW::EnergyMinimizerThread_map">
85 <area·href="../../df/d00/a07998.html"·alt="BALL::VIEW::SimulationThread"·shape="rect"·coords="0,112,221,136"/>85 <area·href="../../df/d00/a07998.html"·alt="BALL::VIEW::SimulationThread"·shape="rect"·coords="0,112,221,136"/>
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155 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>155 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
156 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>156 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>
157 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>157 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
158 </table>158 </table>
159 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>159 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
160 <div·class="textblock"><p·>Thread·for·EnergyMinimization.·</p>160 <div·class="textblock"><p·>Thread·for·EnergyMinimization.·</p>
  
161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00221">221</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00221">221</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
162 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>162 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
163 <a·id="ae590149b083fb761a2dd667fdb5bd7ad"·name="ae590149b083fb761a2dd667fdb5bd7ad"></a>163 <a·id="ae590149b083fb761a2dd667fdb5bd7ad"·name="ae590149b083fb761a2dd667fdb5bd7ad"></a>
164 <h2·class="memtitle"><span·class="permalink"><a·href="#ae590149b083fb761a2dd667fdb5bd7ad">&#9670;&nbsp;</a></span>EnergyMinimizerThread()</h2>164 <h2·class="memtitle"><span·class="permalink"><a·href="#ae590149b083fb761a2dd667fdb5bd7ad">&#9670;&nbsp;</a></span>EnergyMinimizerThread()</h2>
  
165 <div·class="memitem">165 <div·class="memitem">
166 <div·class="memproto">166 <div·class="memproto">
167 ······<table·class="memname">167 ······<table·class="memname">
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267 ··</td>267 ··</td>
268 ··<td·class="mlabels-right">268 ··<td·class="mlabels-right">
269 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>269 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
270 ··</tr>270 ··</tr>
271 </table>271 </table>
272 </div><div·class="memdoc">272 </div><div·class="memdoc">
  
273 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00239">239</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>273 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00239">239</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
274 </div>274 </div>
275 </div>275 </div>
276 </div><!--·contents·-->276 </div><!--·contents·-->
277 <!--·start·footer·part·-->277 <!--·start·footer·part·-->
278 <hr·class="footer"/><address·class="footer"><small>278 <hr·class="footer"/><address·class="footer"><small>
279 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4279 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../db/d82/a04567.html">List·of·all·members</a>··</div>71 <a·href="../../db/d82/a04567.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDBAtomIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDBAtomIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/de6/a00404_source.html">BALL/KERNEL/PDBAtomIterator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d9e/a00569_source.html">BALL/KERNEL/PDBAtomIterator.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::PDBAtomIteratorTraits:</div>77 Inheritance·diagram·for·BALL::PDBAtomIteratorTraits:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d6/dfd/a04570.png"·usemap="#BALL::PDBAtomIteratorTraits_map"·alt=""/>80 ··<img·src="../../d6/dfd/a04570.png"·usemap="#BALL::PDBAtomIteratorTraits_map"·alt=""/>
81 ··<map·id="BALL::PDBAtomIteratorTraits_map"·name="BALL::PDBAtomIteratorTraits_map">81 ··<map·id="BALL::PDBAtomIteratorTraits_map"·name="BALL::PDBAtomIteratorTraits_map">
82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>
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184 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>184 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>
185 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<a·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">More...</a><br·/></td></tr>185 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<a·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">More...</a><br·/></td></tr>
186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
187 </table>187 </table>
188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
189 <div·class="textblock"><p·>Traits·class·for·the·PDBAtomIterator.·</p>189 <div·class="textblock"><p·>Traits·class·for·the·PDBAtomIterator.·</p>
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/de6/a00404_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d9/de6/a00404_source.html">PDBAtomIterator.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9e/a00569_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d4/d9e/a00569_source.html">PDBAtomIterator.h</a>.</p>
191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
192 <a·id="ae3e7ca857578a5ccc4bcc969fccab0d5"·name="ae3e7ca857578a5ccc4bcc969fccab0d5"></a>192 <a·id="ae3e7ca857578a5ccc4bcc969fccab0d5"·name="ae3e7ca857578a5ccc4bcc969fccab0d5"></a>
193 <h2·class="memtitle"><span·class="permalink"><a·href="#ae3e7ca857578a5ccc4bcc969fccab0d5">&#9670;&nbsp;</a></span>PDBAtomIteratorTraits()·<span·class="overload">[1/3]</span></h2>193 <h2·class="memtitle"><span·class="permalink"><a·href="#ae3e7ca857578a5ccc4bcc969fccab0d5">&#9670;&nbsp;</a></span>PDBAtomIteratorTraits()·<span·class="overload">[1/3]</span></h2>
  
194 <div·class="memitem">194 <div·class="memitem">
195 <div·class="memproto">195 <div·class="memproto">
196 <table·class="mlabels">196 <table·class="mlabels">
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237 ··</td>237 ··</td>
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265 ··</td>265 ··</td>
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304 <h2·class="memtitle"><span·class="permalink"><a·href="#a79ec2c995d229e8dcc43a71fd1794775">&#9670;&nbsp;</a></span>resetPredicate()</h2>304 <h2·class="memtitle"><span·class="permalink"><a·href="#a79ec2c995d229e8dcc43a71fd1794775">&#9670;&nbsp;</a></span>resetPredicate()</h2>
  
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
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69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#define-members">Macros</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">atomContainer.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">pcrModel.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d2f/a00425_source.html">BALL/KERNEL/atomIterator.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d27/a00392_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../da/dee/a00383_source.html">BALL/QSAR/rrModel.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../db/dbc/a00395_source.html">BALL/KERNEL/atomContainerIterator.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/QSAR/latentVariableModel.h</a>&gt;</code><br·/>
77 </div>78 </div>
78 <p><a·href="../../d7/d00/a00401_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d7/d00/a00401_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">80 <table·class="memberdecls">
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100 ······<table·class="memname"> 
101 ········<tr> 
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72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SDWidget::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SDWidget::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../d7/d03/a08538.html"·title="Option·names.">Option</a>·names.··75 <p><a·class="el"·href="../../d7/d03/a08538.html"·title="Option·names.">Option</a>·names.··
76 ·<a·href="../../d7/d03/a08538.html#details">More...</a></p>76 ·<a·href="../../d7/d03/a08538.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d5/d10/a01571_source.html">BALL/VIEW/WIDGETS/SDWidget.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d1/dae/a01136_source.html">BALL/VIEW/WIDGETS/SDWidget.h</a>&gt;</code></p>
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84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock"><p·><a·class="el"·href="../../d7/d03/a08538.html"·title="Option·names.">Option</a>·names.·</p>85 <div·class="textblock"><p·><a·class="el"·href="../../d7/d03/a08538.html"·title="Option·names.">Option</a>·names.·</p>
  
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">SDWidget.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dae/a01136_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d1/dae/a01136_source.html">SDWidget.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="a17deb08837d327b75760c62e80700414"·name="a17deb08837d327b75760c62e80700414"></a>88 <a·id="a17deb08837d327b75760c62e80700414"·name="a17deb08837d327b75760c62e80700414"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#a17deb08837d327b75760c62e80700414">&#9670;&nbsp;</a></span>SHOW_HYDROGENS</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#a17deb08837d327b75760c62e80700414">&#9670;&nbsp;</a></span>SHOW_HYDROGENS</h2>
  
90 <div·class="memitem">90 <div·class="memitem">
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105 ··<td·class="mlabels-right">105 ··<td·class="mlabels-right">
106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
107 ··</tr>107 ··</tr>
108 </table>108 </table>
109 </div><div·class="memdoc">109 </div><div·class="memdoc">
110 <p·>show·hydrogen·atoms.·</p>110 <p·>show·hydrogen·atoms.·</p>
  
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">SDWidget.h</a>.</p>111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dae/a01136_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d1/dae/a01136_source.html">SDWidget.h</a>.</p>
  
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68 ··<div·class="headertitle"><div·class="title">system.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">MMFF94Processors.h·File·Reference</div></div>
69 </div><!--header-->72 </div><!--header-->
70 <div·class="contents">73 <div·class="contents">
71 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/da7/a01709_source.html">BALL/SYSTEM/directory.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/dc8/a00122_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
72 <code>#include·&lt;<a·class="el"·href="../../db/dbe/a01706_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>
73 <code>#include·&lt;<a·class="el"·href="../../db/d66/a01721_source.html">BALL/SYSTEM/fileSystem.h</a>&gt;</code><br·/> 
74 <code>#include·&lt;BALL/SYSTEM/socket.h&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../df/d9a/a01715_source.html">BALL/SYSTEM/timer.h</a>&gt;</code><br·/>78 <code>#include·&lt;<a·class="el"·href="../../d9/d0d/a01748_source.html">BALL/STRUCTURE/atomTyper.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;vector&gt;</code><br·/>
76 </div>80 </div>
77 <p><a·href="../../d7/d06/a00131_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../d7/d06/a00131_source.html">Go·to·the·source·code·of·this·file.</a></p>
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 86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dfd/a05310.html">BALL::MMFF94AtomTyper::AromaticType</a></td></tr>
 88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dc8/a05314.html">BALL::MMFF94ChargeProcessor</a></td></tr>
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81 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4100 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
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71 <a·href="../../d2/db0/a04227.html">List·of·all·members</a>··</div>71 <a·href="../../d2/db0/a04227.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordHYDBND::HydrogenPartnerAtom·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordHYDBND::HydrogenPartnerAtom·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
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79 <tr·class="memitem:a664c49c54d5e53aaf434d52a53c87684"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d0a/a04230.html#a664c49c54d5e53aaf434d52a53c87684">atom_name</a></td></tr>79 <tr·class="memitem:a664c49c54d5e53aaf434d52a53c87684"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d0a/a04230.html#a664c49c54d5e53aaf434d52a53c87684">atom_name</a></td></tr>
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86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock">87 <div·class="textblock">
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00754">754</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00754">754</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
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96 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#aa56256be31288b3037d75d301a0d743f">Character</a>·BALL::PDB::RecordHYDBND::HydrogenPartnerAtom::alternate_location_indicator</td>96 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#aa56256be31288b3037d75d301a0d743f">Character</a>·BALL::PDB::RecordHYDBND::HydrogenPartnerAtom::alternate_location_indicator</td>
97 ········</tr>97 ········</tr>
98 ······</table>98 ······</table>
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100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00757">757</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00757">757</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
101 </div>101 </div>
102 </div>102 </div>
103 <a·id="a664c49c54d5e53aaf434d52a53c87684"·name="a664c49c54d5e53aaf434d52a53c87684"></a>103 <a·id="a664c49c54d5e53aaf434d52a53c87684"·name="a664c49c54d5e53aaf434d52a53c87684"></a>
104 <h2·class="memtitle"><span·class="permalink"><a·href="#a664c49c54d5e53aaf434d52a53c87684">&#9670;&nbsp;</a></span>atom_name</h2>104 <h2·class="memtitle"><span·class="permalink"><a·href="#a664c49c54d5e53aaf434d52a53c87684">&#9670;&nbsp;</a></span>atom_name</h2>
  
105 <div·class="memitem">105 <div·class="memitem">
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112 ······<table·class="memname">112 ······<table·class="memname">
113 ········<tr>113 ········<tr>
114 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·BALL::PDB::RecordHYDBND::HydrogenPartnerAtom::atom_name</td>114 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·BALL::PDB::RecordHYDBND::HydrogenPartnerAtom::atom_name</td>
115 ········</tr>115 ········</tr>
116 ······</table>116 ······</table>
117 </div><div·class="memdoc">117 </div><div·class="memdoc">
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00756">756</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00756">756</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
119 </div>119 </div>
120 </div>120 </div>
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122 <h2·class="memtitle"><span·class="permalink"><a·href="#af4a7662b9fb260c2bfc6a28c2c0c09f0">&#9670;&nbsp;</a></span>residue</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#af4a7662b9fb260c2bfc6a28c2c0c09f0">&#9670;&nbsp;</a></span>residue</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
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128 ······<table·class="memname">128 ······<table·class="memname">
129 ········<tr>129 ········<tr>
130 ··········<td·class="memname"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>·BALL::PDB::RecordHYDBND::HydrogenPartnerAtom::residue</td>130 ··········<td·class="memname"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>·BALL::PDB::RecordHYDBND::HydrogenPartnerAtom::residue</td>
131 ········</tr>131 ········</tr>
132 ······</table>132 ······</table>
133 </div><div·class="memdoc">133 </div><div·class="memdoc">
  
134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00758">758</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00758">758</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
135 </div>135 </div>
136 </div>136 </div>
137 </div><!--·contents·-->137 </div><!--·contents·-->
138 <!--·start·footer·part·-->138 <!--·start·footer·part·-->
139 <hr·class="footer"/><address·class="footer"><small>139 <hr·class="footer"/><address·class="footer"><small>
140 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4140 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d5/d6d/a04635.html">List·of·all·members</a>··</div>70 <a·href="../../d5/d6d/a04635.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::Selector·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d2/da0/a02149.html">Kernel·Predicates</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::Selector·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d2/da0/a02149.html">Kernel·Predicates</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d1/d98/a00407_source.html">BALL/KERNEL/selector.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d5/d0f/a00494_source.html">BALL/KERNEL/selector.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::Selector:</div>76 Inheritance·diagram·for·BALL::Selector:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d7/d0f/a04638.png"·usemap="#BALL::Selector_map"·alt=""/>79 ··<img·src="../../d7/d0f/a04638.png"·usemap="#BALL::Selector_map"·alt=""/>
80 ··<map·id="BALL::Selector_map"·name="BALL::Selector_map">80 ··<map·id="BALL::Selector_map"·name="BALL::Selector_map">
81 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Composite·&gt;"·shape="rect"·coords="0,56,316,80"/>81 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Composite·&gt;"·shape="rect"·coords="0,56,316,80"/>
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148 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>148 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
149 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>149 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
150 </table>150 </table>
151 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>151 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
152 <div·class="textblock"><p·><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·Selection·from·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·<a·class="el"·href="../../d7/dba/a04502.html">Expression</a>.·</p><dl·class="section·user"><dt></dt><dd>This·class·takes·a·string·that·represents·an·<a·class="el"·href="../../d7/dba/a04502.html">Expression</a>.·It·can·then·be·applied·to·a·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·and·will·select·all·atoms·matching·the·<a·class="el"·href="../../d7/dba/a04502.html">Expression</a>.·Refer·to·the·documentation·of·<a·class="el"·href="../../d7/dba/a04502.html">Expression</a>·for·a·list·of·available·predicates.</dd></dl>152 <div·class="textblock"><p·><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·Selection·from·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·<a·class="el"·href="../../d7/dba/a04502.html">Expression</a>.·</p><dl·class="section·user"><dt></dt><dd>This·class·takes·a·string·that·represents·an·<a·class="el"·href="../../d7/dba/a04502.html">Expression</a>.·It·can·then·be·applied·to·a·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·and·will·select·all·atoms·matching·the·<a·class="el"·href="../../d7/dba/a04502.html">Expression</a>.·Refer·to·the·documentation·of·<a·class="el"·href="../../d7/dba/a04502.html">Expression</a>·for·a·list·of·available·predicates.</dd></dl>
153 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d7/dba/a04502.html">Expression</a>·</dd></dl>153 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d7/dba/a04502.html">Expression</a>·</dd></dl>
  
154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d98/a00407_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d1/d98/a00407_source.html">selector.h</a>.</p>154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00494_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d5/d0f/a00494_source.html">selector.h</a>.</p>
155 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>155 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
156 <a·id="a8e37f8baf5758a668a1aac90760694cc"·name="a8e37f8baf5758a668a1aac90760694cc"></a>156 <a·id="a8e37f8baf5758a668a1aac90760694cc"·name="a8e37f8baf5758a668a1aac90760694cc"></a>
157 <h2·class="memtitle"><span·class="permalink"><a·href="#a8e37f8baf5758a668a1aac90760694cc">&#9670;&nbsp;</a></span>Selector()·<span·class="overload">[1/3]</span></h2>157 <h2·class="memtitle"><span·class="permalink"><a·href="#a8e37f8baf5758a668a1aac90760694cc">&#9670;&nbsp;</a></span>Selector()·<span·class="overload">[1/3]</span></h2>
  
158 <div·class="memitem">158 <div·class="memitem">
159 <div·class="memproto">159 <div·class="memproto">
160 ······<table·class="memname">160 ······<table·class="memname">
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448 ··</td>448 ··</td>
449 ··<td·class="mlabels-right">449 ··<td·class="mlabels-right">
450 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>450 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
451 ··</tr>451 ··</tr>
452 </table>452 </table>
453 </div><div·class="memdoc">453 </div><div·class="memdoc">
  
454 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d98/a00407_source.html#l00126">126</a>·of·file·<a·class="el"·href="../../d1/d98/a00407_source.html">selector.h</a>.</p>454 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00494_source.html#l00126">126</a>·of·file·<a·class="el"·href="../../d5/d0f/a00494_source.html">selector.h</a>.</p>
  
455 </div>455 </div>
456 </div>456 </div>
457 <a·id="a2c677b036d7014b03af30cee63478c8e"·name="a2c677b036d7014b03af30cee63478c8e"></a>457 <a·id="a2c677b036d7014b03af30cee63478c8e"·name="a2c677b036d7014b03af30cee63478c8e"></a>
458 <h2·class="memtitle"><span·class="permalink"><a·href="#a2c677b036d7014b03af30cee63478c8e">&#9670;&nbsp;</a></span>selected_atoms_</h2>458 <h2·class="memtitle"><span·class="permalink"><a·href="#a2c677b036d7014b03af30cee63478c8e">&#9670;&nbsp;</a></span>selected_atoms_</h2>
  
459 <div·class="memitem">459 <div·class="memitem">
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472 ··</td>472 ··</td>
473 ··<td·class="mlabels-right">473 ··<td·class="mlabels-right">
474 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>474 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
475 ··</tr>475 ··</tr>
476 </table>476 </table>
477 </div><div·class="memdoc">477 </div><div·class="memdoc">
  
478 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d98/a00407_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../d1/d98/a00407_source.html">selector.h</a>.</p>478 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00494_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../d5/d0f/a00494_source.html">selector.h</a>.</p>
  
479 </div>479 </div>
480 </div>480 </div>
481 </div><!--·contents·-->481 </div><!--·contents·-->
482 <!--·start·footer·part·-->482 <!--·start·footer·part·-->
483 <hr·class="footer"/><address·class="footer"><small>483 <hr·class="footer"/><address·class="footer"><small>
484 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4484 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">ruleEvaluator.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">HMOFile.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d17/a01937_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/FORMAT/lineBasedFile.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d8/d23/a00326_source.html">BALL/KERNEL/expression.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../dd/dd7/a00260_source.html">BALL/MATHS/surface.h</a>&gt;</code><br·/>
76 <code>#include·&lt;list&gt;</code><br·/> 
77 <code>#include·&lt;utility&gt;</code><br·/> 
78 </div>77 </div>
79 <p><a·href="../../d7/d12/a00911_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d7/d12/a00911_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">79 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>81 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d94/a05102.html">BALL::RuleEvaluator</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d6b/a03918.html">BALL::HMOFile</a></td></tr>
 83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d8b/a03922.html">BALL::HMOFile::HMOCharge</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table><table·class="memberdecls">86 </table><table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
87 Namespaces</h2></td></tr>88 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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8 <title>BALL:·libsvmModel.h·File·Reference</title>8 <title>BALL:·fragmentationalSolvation.h·File·Reference</title>
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63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">libsvmModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">fragmentationalSolvation.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d45/a02021_source.html">BALL/QSAR/svrModel.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/df7/a20389_source.html">BALL/SCORING/COMPONENTS/solvation.h</a>&gt;</code><br·/>
75 <code>#include·&lt;fstream&gt;</code><br·/> 
76 <code>#include·&lt;svm.h&gt;</code><br·/> 
77 </div>75 </div>
78 <p><a·href="../../d7/d13/a02045_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d7/d13/a02045_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">77 <table·class="memberdecls">
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72 ··<div·class="headertitle"><div·class="title">BALL::Exception::FormatUnsupported·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::FormatUnsupported·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
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134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>BufferedRenderer·error·An·unsuported·format·was·requested·from·<a·class="el"·href="../../">BufferedRenderer</a>·via·<code>setFrameBufferFormat</code>.·</p>136 <div·class="textblock"><p·>BufferedRenderer·error·An·unsuported·format·was·requested·from·<a·class="el"·href="../../">BufferedRenderer</a>·via·<code>setFrameBufferFormat</code>.·</p>
  
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">downloadElectronDensity.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">line.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;BALL/VIEW/UIC/ui_downloadElectronDensity.h&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d9/d7d/a01880_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../de/d5c/a01358_source.html">BALL/VIEW/DATATYPE/vertex2.h</a>&gt;</code><br·/>
77 <code>#include·&lt;QtNetwork/QNetworkReply&gt;</code><br·/> 
78 </div>76 </div>
79 <p><a·href="../../d7/d1c/a01397_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d7/d1c/a01397_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">78 <table·class="memberdecls">
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87 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
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89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
 71 <a·href="#define-members">Macros</a>·&#124;
 72 <a·href="#func-members">Functions</a>··</div>
71 ··<div·class="headertitle"><div·class="title">simpleBox.h·File·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">pixelFormat.h·File·Reference</div></div>
72 </div><!--header-->74 </div><!--header-->
73 <div·class="contents">75 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d27/a01043_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>76 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d6/dbd/a01829_source.html">BALL/MATHS/simpleBox3.h</a>&gt;</code><br·/>77 <code>#include·&lt;iostream&gt;</code><br·/>
76 </div>78 </div>
77 <p><a·href="../../d7/d1d/a01475_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d7/d1d/a01475_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">80 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>82 Classes</h2></td></tr>
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81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d08/a08198.html">BALL::VIEW::SimpleBox</a></td></tr>85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d0d/a08250.html">BALL::VIEW::PixelFormat</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table><table·class="memberdecls">87 </table><table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
85 Namespaces</h2></td></tr>89 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>92 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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 96 Macros</h2></td></tr>
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 107 <h2·class="memtitle"><span·class="permalink"><a·href="#acf9db91511aaa6f70a40aa80a1fc7d0c">&#9670;&nbsp;</a></span>_RTSG_FB_SETCH</h2>
  
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 109 <div·class="memproto">
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 111 ········<tr>
 112 ··········<td·class="memname">#define·_RTSG_FB_SETCH</td>
 113 ··········<td>(</td>
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 115 ··········<td·class="paramname">i,·</td>
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 118 ··········<td·class="paramkey"></td>
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 130 <b>Value:</b><div·class="fragment"><div·class="line">······this-&gt;channels[(i)]·=·v;················\</div>
 131 <div·class="line">······if·(v.id·!=·ChannelFormat::NO_CHANNEL)··\</div>
 132 <div·class="line">········++numChannels</div>
 133 </div><!--·fragment·-->
 134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d1d/a01475_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../d7/d1d/a01475_source.html">pixelFormat.h</a>.</p>
  
 135 </div>
 136 </div>
91 </div><!--·contents·-->137 </div><!--·contents·-->
92 <!--·start·footer·part·-->138 <!--·start·footer·part·-->
93 <hr·class="footer"/><address·class="footer"><small>139 <hr·class="footer"/><address·class="footer"><small>
94 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4140 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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72 <a·href="../../d7/d62/a04379.html">List·of·all·members</a>··</div>72 <a·href="../../d7/d62/a04379.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::PDB::Structure::AtomEntry·Struct·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::PDB::Structure::AtomEntry·Struct·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:aa0d570653b773080bd4f3cb1db21cfc2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d1e/a04382.html#aa0d570653b773080bd4f3cb1db21cfc2">AtomEntry</a>·(const·<a·class="el"·href="../../dd/d3c/a04466.html">BALL::Atom</a>·&amp;a)</td></tr>80 <tr·class="memitem:aa0d570653b773080bd4f3cb1db21cfc2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d1e/a04382.html#aa0d570653b773080bd4f3cb1db21cfc2">AtomEntry</a>·(const·<a·class="el"·href="../../dd/d3c/a04466.html">BALL::Atom</a>·&amp;a)</td></tr>
81 <tr·class="separator:aa0d570653b773080bd4f3cb1db21cfc2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:aa0d570653b773080bd4f3cb1db21cfc2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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90 <tr·class="memitem:aa3d1813a93cdfa7c75331693a57099a8"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/dad/a04630.html">BALL::SecondaryStructure</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d1e/a04382.html#aa3d1813a93cdfa7c75331693a57099a8">sec_struct</a></td></tr>90 <tr·class="memitem:aa3d1813a93cdfa7c75331693a57099a8"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/dad/a04630.html">BALL::SecondaryStructure</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d1e/a04382.html#aa3d1813a93cdfa7c75331693a57099a8">sec_struct</a></td></tr>
91 <tr·class="separator:aa3d1813a93cdfa7c75331693a57099a8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:aa3d1813a93cdfa7c75331693a57099a8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:a63cc126ff232b5d3e39f50564d1aeb80"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d4/d22/a04494.html">BALL::Chain</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d1e/a04382.html#a63cc126ff232b5d3e39f50564d1aeb80">chain</a></td></tr>92 <tr·class="memitem:a63cc126ff232b5d3e39f50564d1aeb80"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d4/d22/a04494.html">BALL::Chain</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d1e/a04382.html#a63cc126ff232b5d3e39f50564d1aeb80">chain</a></td></tr>
93 <tr·class="separator:a63cc126ff232b5d3e39f50564d1aeb80"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:a63cc126ff232b5d3e39f50564d1aeb80"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>94 </table>
95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock">96 <div·class="textblock">
97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l01247">1247</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01247">1247</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
98 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>98 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
99 <a·id="aa0d570653b773080bd4f3cb1db21cfc2"·name="aa0d570653b773080bd4f3cb1db21cfc2"></a>99 <a·id="aa0d570653b773080bd4f3cb1db21cfc2"·name="aa0d570653b773080bd4f3cb1db21cfc2"></a>
100 <h2·class="memtitle"><span·class="permalink"><a·href="#aa0d570653b773080bd4f3cb1db21cfc2">&#9670;&nbsp;</a></span>AtomEntry()</h2>100 <h2·class="memtitle"><span·class="permalink"><a·href="#aa0d570653b773080bd4f3cb1db21cfc2">&#9670;&nbsp;</a></span>AtomEntry()</h2>
  
101 <div·class="memitem">101 <div·class="memitem">
102 <div·class="memproto">102 <div·class="memproto">
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116 ··</td>116 ··</td>
117 ··<td·class="mlabels-right">117 ··<td·class="mlabels-right">
118 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>118 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
119 ··</tr>119 ··</tr>
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121 </div><div·class="memdoc">121 </div><div·class="memdoc">
  
122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l01253">1253</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01253">1253</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
123 </div>123 </div>
124 </div>124 </div>
125 <h2·class="groupheader">Member·Data·Documentation</h2>125 <h2·class="groupheader">Member·Data·Documentation</h2>
126 <a·id="ae0137a3f7a0e5f2f33ab6ebd88be9732"·name="ae0137a3f7a0e5f2f33ab6ebd88be9732"></a>126 <a·id="ae0137a3f7a0e5f2f33ab6ebd88be9732"·name="ae0137a3f7a0e5f2f33ab6ebd88be9732"></a>
127 <h2·class="memtitle"><span·class="permalink"><a·href="#ae0137a3f7a0e5f2f33ab6ebd88be9732">&#9670;&nbsp;</a></span>atom</h2>127 <h2·class="memtitle"><span·class="permalink"><a·href="#ae0137a3f7a0e5f2f33ab6ebd88be9732">&#9670;&nbsp;</a></span>atom</h2>
  
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133 ······<table·class="memname">133 ······<table·class="memname">
134 ········<tr>134 ········<tr>
135 ··········<td·class="memname">const·<a·class="el"·href="../../dd/d3c/a04466.html">BALL::Atom</a>*·BALL::PDB::Structure::AtomEntry::atom</td>135 ··········<td·class="memname">const·<a·class="el"·href="../../dd/d3c/a04466.html">BALL::Atom</a>*·BALL::PDB::Structure::AtomEntry::atom</td>
136 ········</tr>136 ········</tr>
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138 </div><div·class="memdoc">138 </div><div·class="memdoc">
  
139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l01249">1249</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01249">1249</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
140 </div>140 </div>
141 </div>141 </div>
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143 <h2·class="memtitle"><span·class="permalink"><a·href="#a63cc126ff232b5d3e39f50564d1aeb80">&#9670;&nbsp;</a></span>chain</h2>143 <h2·class="memtitle"><span·class="permalink"><a·href="#a63cc126ff232b5d3e39f50564d1aeb80">&#9670;&nbsp;</a></span>chain</h2>
  
144 <div·class="memitem">144 <div·class="memitem">
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150 ········<tr>150 ········<tr>
151 ··········<td·class="memname">const·<a·class="el"·href="../../d4/d22/a04494.html">BALL::Chain</a>*·BALL::PDB::Structure::AtomEntry::chain</td>151 ··········<td·class="memname">const·<a·class="el"·href="../../d4/d22/a04494.html">BALL::Chain</a>*·BALL::PDB::Structure::AtomEntry::chain</td>
152 ········</tr>152 ········</tr>
153 ······</table>153 ······</table>
154 </div><div·class="memdoc">154 </div><div·class="memdoc">
  
155 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l01252">1252</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>155 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01252">1252</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
156 </div>156 </div>
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159 <h2·class="memtitle"><span·class="permalink"><a·href="#a3270ca17c11e885ab1000113fdc1f2b3">&#9670;&nbsp;</a></span>residue</h2>159 <h2·class="memtitle"><span·class="permalink"><a·href="#a3270ca17c11e885ab1000113fdc1f2b3">&#9670;&nbsp;</a></span>residue</h2>
  
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166 ········<tr>166 ········<tr>
167 ··········<td·class="memname">const·<a·class="el"·href="../../d3/d84/a04622.html">BALL::Residue</a>*·BALL::PDB::Structure::AtomEntry::residue</td>167 ··········<td·class="memname">const·<a·class="el"·href="../../d3/d84/a04622.html">BALL::Residue</a>*·BALL::PDB::Structure::AtomEntry::residue</td>
168 ········</tr>168 ········</tr>
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176 <div·class="memitem">176 <div·class="memitem">
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183 ··········<td·class="memname">const·<a·class="el"·href="../../d0/dad/a04630.html">BALL::SecondaryStructure</a>*·BALL::PDB::Structure::AtomEntry::sec_struct</td>183 ··········<td·class="memname">const·<a·class="el"·href="../../d0/dad/a04630.html">BALL::SecondaryStructure</a>*·BALL::PDB::Structure::AtomEntry::sec_struct</td>
184 ········</tr>184 ········</tr>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">RDFSection.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">fragment.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/de4/a00677_source.html">BALL/STRUCTURE/radialDistributionFunction.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d3/d00/a00113_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/> 
76 </div>75 </div>
77 <p><a·href="../../d7/d21/a00584_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d7/d21/a00584_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">77 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>79 Classes</h2></td></tr>
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87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_0f44562fa0092558829ef2f34049a706.html">MODELS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">colorButton.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">cartoonModel.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/de4/a01481_source.html">BALL/VIEW/MODELS/backboneModel.h</a>&gt;</code><br·/>
75 <code>#include·&lt;QtWidgets/QPushButton&gt;</code><br·/> 
76 <code>#include·&lt;QtGui/QColor&gt;</code><br·/> 
77 </div>75 </div>
78 <p><a·href="../../d7/d22/a01514_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d7/d22/a01514_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">77 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>79 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d25/a08362.html">BALL::VIEW::ColorButton</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d58/a08034.html">BALL::VIEW::AddCartoonModel</a></td></tr>
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86 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>87 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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72 ··<div·class="headertitle"><div·class="title">BALL::SmartsParser::State·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SmartsParser::State·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p>Parser·state·(used·by·the·parser·itself)··75 <p>Parser·state·(used·by·the·parser·itself)··
76 ·<a·href="../../d7/d22/a07246.html#details">More...</a></p>76 ·<a·href="../../d7/d22/a07246.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d8/d73/a00674_source.html">BALL/STRUCTURE/smartsParser.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../df/d21/a01778_source.html">BALL/STRUCTURE/smartsParser.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
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80 Public·Attributes</h2></td></tr>80 Public·Attributes</h2></td></tr>
81 <tr·class="memitem:a1bdcbaa4548ab13cb6fa2c108a757c9d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d22/a07246.html#a1bdcbaa4548ab13cb6fa2c108a757c9d">char_count</a></td></tr>81 <tr·class="memitem:a1bdcbaa4548ab13cb6fa2c108a757c9d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d22/a07246.html#a1bdcbaa4548ab13cb6fa2c108a757c9d">char_count</a></td></tr>
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87 </table>87 </table>
88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
89 <div·class="textblock"><p·>Parser·state·(used·by·the·parser·itself)·</p>89 <div·class="textblock"><p·>Parser·state·(used·by·the·parser·itself)·</p>
  
90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d73/a00674_source.html#l00700">700</a>·of·file·<a·class="el"·href="../../d8/d73/a00674_source.html">smartsParser.h</a>.</p>90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00700">700</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
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94 <div·class="memitem">94 <div·class="memitem">
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96 ······<table·class="memname">96 ······<table·class="memname">
97 ········<tr>97 ········<tr>
98 ··········<td·class="memname">const·char*·BALL::SmartsParser::State::buffer</td>98 ··········<td·class="memname">const·char*·BALL::SmartsParser::State::buffer</td>
99 ········</tr>99 ········</tr>
100 ······</table>100 ······</table>
101 </div><div·class="memdoc">101 </div><div·class="memdoc">
  
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d73/a00674_source.html#l00704">704</a>·of·file·<a·class="el"·href="../../d8/d73/a00674_source.html">smartsParser.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00704">704</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
  
103 </div>103 </div>
104 </div>104 </div>
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120 ······</table>120 ······</table>
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122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d73/a00674_source.html#l00702">702</a>·of·file·<a·class="el"·href="../../d8/d73/a00674_source.html">smartsParser.h</a>.</p>122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00702">702</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
  
123 </div>123 </div>
124 </div>124 </div>
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126 <h2·class="memtitle"><span·class="permalink"><a·href="#ac827efb36848d7d8003b0add4ba8ba8b">&#9670;&nbsp;</a></span>current_parser</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#ac827efb36848d7d8003b0add4ba8ba8b">&#9670;&nbsp;</a></span>current_parser</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
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133 ········<tr>133 ········<tr>
134 ··········<td·class="memname"><a·class="el"·href="../../d2/d40/a07218.html">SmartsParser</a>*·BALL::SmartsParser::State::current_parser</td>134 ··········<td·class="memname"><a·class="el"·href="../../d2/d40/a07218.html">SmartsParser</a>*·BALL::SmartsParser::State::current_parser</td>
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136 ······</table>136 ······</table>
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138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d73/a00674_source.html#l00703">703</a>·of·file·<a·class="el"·href="../../d8/d73/a00674_source.html">smartsParser.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00703">703</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
  
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142 <!--·start·footer·part·-->142 <!--·start·footer·part·-->
143 <hr·class="footer"/><address·class="footer"><small>143 <hr·class="footer"/><address·class="footer"><small>
144 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4144 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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72 <a·href="../../d6/df1/a04535.html">List·of·all·members</a>··</div>72 <a·href="../../d6/df1/a04535.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::MolecularInteractions·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::MolecularInteractions·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d27/a00392_source.html">BALL/KERNEL/molecularInteractions.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d8/deb/a00545_source.html">BALL/KERNEL/molecularInteractions.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:afdf44bf5e0b20d87912f3b2220e8b8af"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d23/a04538.html#afdf44bf5e0b20d87912f3b2220e8b8af">MolecularInteractions</a>·()</td></tr>80 <tr·class="memitem:afdf44bf5e0b20d87912f3b2220e8b8af"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d23/a04538.html#afdf44bf5e0b20d87912f3b2220e8b8af">MolecularInteractions</a>·()</td></tr>
81 <tr·class="separator:afdf44bf5e0b20d87912f3b2220e8b8af"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:afdf44bf5e0b20d87912f3b2220e8b8af"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:a59778f7cda43c49a59f3a09483684ae9"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d23/a04538.html#a59778f7cda43c49a59f3a09483684ae9">clear</a>·()</td></tr>82 <tr·class="memitem:a59778f7cda43c49a59f3a09483684ae9"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d23/a04538.html#a59778f7cda43c49a59f3a09483684ae9">clear</a>·()</td></tr>
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109 Static·Public·Attributes</h2></td></tr>109 Static·Public·Attributes</h2></td></tr>
110 <tr·class="memitem:ae9d71f9cf470846bb33fbb623f31e107"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d23/a04538.html#ae9d71f9cf470846bb33fbb623f31e107">SAVE_ONLY_SUMS</a></td></tr>110 <tr·class="memitem:ae9d71f9cf470846bb33fbb623f31e107"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d23/a04538.html#ae9d71f9cf470846bb33fbb623f31e107">SAVE_ONLY_SUMS</a></td></tr>
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112 </table>112 </table>
113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
114 <div·class="textblock">114 <div·class="textblock">
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d27/a00392_source.html#l00011">11</a>·of·file·<a·class="el"·href="../../d4/d27/a00392_source.html">molecularInteractions.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/deb/a00545_source.html#l00011">11</a>·of·file·<a·class="el"·href="../../d8/deb/a00545_source.html">molecularInteractions.h</a>.</p>
116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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118 <h2·class="memtitle"><span·class="permalink"><a·href="#afdf44bf5e0b20d87912f3b2220e8b8af">&#9670;&nbsp;</a></span>MolecularInteractions()</h2>118 <h2·class="memtitle"><span·class="permalink"><a·href="#afdf44bf5e0b20d87912f3b2220e8b8af">&#9670;&nbsp;</a></span>MolecularInteractions()</h2>
  
119 <div·class="memitem">119 <div·class="memitem">
120 <div·class="memproto">120 <div·class="memproto">
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429 ··</td>429 ··</td>
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431 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>431 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
432 ··</tr>432 ··</tr>
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435 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d27/a00392_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d4/d27/a00392_source.html">molecularInteractions.h</a>.</p>435 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/deb/a00545_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d8/deb/a00545_source.html">molecularInteractions.h</a>.</p>
  
436 </div>436 </div>
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441 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4441 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 <a·href="../../d6/dda/a05667.html">List·of·all·members</a>··</div>71 <a·href="../../d6/dda/a05667.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::InvalidActivityID·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::InvalidActivityID·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/d51/a20335_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
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81 ··<map·id="BALL::QSAR::Exception::InvalidActivityID_map"·name="BALL::QSAR::Exception::InvalidActivityID_map">81 ··<map·id="BALL::QSAR::Exception::InvalidActivityID_map"·name="BALL::QSAR::Exception::InvalidActivityID_map">
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138 <div·class="textblock"><p·><a·class="el"·href="../../dd/d67/a02230.html">Exception</a>·for·the·case·of·given·activity·values·&lt;0·or·activity·values·that·are·larger·than·the·number·of·properties·in·the·current·input·file·</p>138 <div·class="textblock"><p·><a·class="el"·href="../../dd/d67/a02230.html">Exception</a>·for·the·case·of·given·activity·values·&lt;0·or·activity·values·that·are·larger·than·the·number·of·properties·in·the·current·input·file·</p>
  
139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d51/a20335_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../db/d51/a20335_source.html">QSAR/exception.h</a>.</p>139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
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67 <div·class="header">67 <div·class="header">
 68 ··<div·class="summary">
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68 ··<div·class="headertitle"><div·class="title">solvation.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">microCanonicalMD.h·File·Reference</div></div>
69 </div><!--header-->72 </div><!--header-->
70 <div·class="contents">73 <div·class="contents">
71 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/SOLVATION/poissonBoltzmann.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/de9/a00176_source.html">BALL/MOLMEC/MDSIMULATION/molecularDynamics.h</a>&gt;</code><br·/>
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73 <p><a·href="../../d7/d25/a00182_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d7/d25/a00182_source.html">Go·to·the·source·code·of·this·file.</a></p>
 77 <table·class="memberdecls">
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76 <hr·class="footer"/><address·class="footer"><small>92 <hr·class="footer"/><address·class="footer"><small>
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101 </div>101 </div>
102 </div>102 </div>
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105 <h2·class="memtitle"><span·class="permalink"><a·href="#ga3b1f75c893ea0fe8d13f23f9b4ce413c">&#9670;&nbsp;</a></span>operator*()·<span·class="overload">[1/2]</span></h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#ga3b1f75c893ea0fe8d13f23f9b4ce413c">&#9670;&nbsp;</a></span>operator*()·<span·class="overload">[1/2]</span></h2>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
 71 <a·href="#func-members">Functions</a>··</div>
71 ··<div·class="headertitle"><div·class="title">molecularInformation.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">dockResult.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d82/a01601_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d2/d2f/a01586_source.html">BALL/DOCKING/COMMON/conformationSet.h</a>&gt;</code><br·/>
75 </div>77 </div>
76 <p><a·href="../../d7/d29/a01589_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d7/d29/a01589_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">79 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>81 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d2e/a03294.html">BALL::MolecularInformation</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d3c/a03650.html">BALL::DockResult</a></td></tr>
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 85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d68/a03658.html">BALL::DockResult::Compare_</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 95 Functions</h2></td></tr>
 96 <tr·class="memitem:ac12eecb6d809645acdac2851ef637736"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ac12eecb6d809645acdac2851ef637736">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;out,·const·DockResult·&amp;dock_res)··throw·()</td></tr>
 97 <tr·class="separator:ac12eecb6d809645acdac2851ef637736"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 <tr·class="memitem:a507f70edb35041dea4ac786e1c524893"><td·class="memItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a507f70edb35041dea4ac786e1c524893">BALL::operator&gt;&gt;</a>·(std::istream·&amp;in,·DockResult·&amp;dock_res)··throw·()</td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d7/dd6/a04479.html">List·of·all·members</a>··</div>71 <a·href="../../d7/dd6/a04479.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::AtomIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::AtomIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dc/d2f/a00425_source.html">BALL/KERNEL/atomIterator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dc/d19/a00515_source.html">BALL/KERNEL/atomIterator.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::AtomIteratorTraits:</div>77 Inheritance·diagram·for·BALL::AtomIteratorTraits:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d7/d2e/a04482.png"·usemap="#BALL::AtomIteratorTraits_map"·alt=""/>80 ··<img·src="../../d7/d2e/a04482.png"·usemap="#BALL::AtomIteratorTraits_map"·alt=""/>
81 ··<map·id="BALL::AtomIteratorTraits_map"·name="BALL::AtomIteratorTraits_map">81 ··<map·id="BALL::AtomIteratorTraits_map"·name="BALL::AtomIteratorTraits_map">
82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>
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184 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>184 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>
185 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<a·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">More...</a><br·/></td></tr>185 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<a·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">More...</a><br·/></td></tr>
186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
187 </table>187 </table>
188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
189 <div·class="textblock"><p·>Traits·class·for·the·AtomIterators·</p>189 <div·class="textblock"><p·>Traits·class·for·the·AtomIterators·</p>
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">atomIterator.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d19/a00515_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../dc/d19/a00515_source.html">atomIterator.h</a>.</p>
191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
192 <a·id="a69e79bbb90472245065688747c82f49a"·name="a69e79bbb90472245065688747c82f49a"></a>192 <a·id="a69e79bbb90472245065688747c82f49a"·name="a69e79bbb90472245065688747c82f49a"></a>
193 <h2·class="memtitle"><span·class="permalink"><a·href="#a69e79bbb90472245065688747c82f49a">&#9670;&nbsp;</a></span>AtomIteratorTraits()·<span·class="overload">[1/3]</span></h2>193 <h2·class="memtitle"><span·class="permalink"><a·href="#a69e79bbb90472245065688747c82f49a">&#9670;&nbsp;</a></span>AtomIteratorTraits()·<span·class="overload">[1/3]</span></h2>
  
194 <div·class="memitem">194 <div·class="memitem">
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209 ··</td>209 ··</td>
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211 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>211 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
212 ··</tr>212 ··</tr>
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214 </div><div·class="memdoc">214 </div><div·class="memdoc">
  
215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">atomIterator.h</a>.</p>215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d19/a00515_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../dc/d19/a00515_source.html">atomIterator.h</a>.</p>
  
216 </div>216 </div>
217 </div>217 </div>
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219 <h2·class="memtitle"><span·class="permalink"><a·href="#ae32f21b9b68060046683ddbe49d59219">&#9670;&nbsp;</a></span>AtomIteratorTraits()·<span·class="overload">[2/3]</span></h2>219 <h2·class="memtitle"><span·class="permalink"><a·href="#ae32f21b9b68060046683ddbe49d59219">&#9670;&nbsp;</a></span>AtomIteratorTraits()·<span·class="overload">[2/3]</span></h2>
  
220 <div·class="memitem">220 <div·class="memitem">
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237 ··</td>237 ··</td>
238 ··<td·class="mlabels-right">238 ··<td·class="mlabels-right">
239 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>239 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
240 ··</tr>240 ··</tr>
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243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">atomIterator.h</a>.</p>243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d19/a00515_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../dc/d19/a00515_source.html">atomIterator.h</a>.</p>
  
244 </div>244 </div>
245 </div>245 </div>
246 <a·id="afdc073ea247a94bc6895b95520712673"·name="afdc073ea247a94bc6895b95520712673"></a>246 <a·id="afdc073ea247a94bc6895b95520712673"·name="afdc073ea247a94bc6895b95520712673"></a>
247 <h2·class="memtitle"><span·class="permalink"><a·href="#afdc073ea247a94bc6895b95520712673">&#9670;&nbsp;</a></span>AtomIteratorTraits()·<span·class="overload">[3/3]</span></h2>247 <h2·class="memtitle"><span·class="permalink"><a·href="#afdc073ea247a94bc6895b95520712673">&#9670;&nbsp;</a></span>AtomIteratorTraits()·<span·class="overload">[3/3]</span></h2>
  
248 <div·class="memitem">248 <div·class="memitem">
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265 ··</td>265 ··</td>
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267 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>267 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
268 ··</tr>268 ··</tr>
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270 </div><div·class="memdoc">270 </div><div·class="memdoc">
  
271 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">atomIterator.h</a>.</p>271 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d19/a00515_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../dc/d19/a00515_source.html">atomIterator.h</a>.</p>
  
272 </div>272 </div>
273 </div>273 </div>
274 <h2·class="groupheader">Member·Function·Documentation</h2>274 <h2·class="groupheader">Member·Function·Documentation</h2>
275 <a·id="a39e35669be4360c3b11a1fd1f3e2e38d"·name="a39e35669be4360c3b11a1fd1f3e2e38d"></a>275 <a·id="a39e35669be4360c3b11a1fd1f3e2e38d"·name="a39e35669be4360c3b11a1fd1f3e2e38d"></a>
276 <h2·class="memtitle"><span·class="permalink"><a·href="#a39e35669be4360c3b11a1fd1f3e2e38d">&#9670;&nbsp;</a></span>operator=()</h2>276 <h2·class="memtitle"><span·class="permalink"><a·href="#a39e35669be4360c3b11a1fd1f3e2e38d">&#9670;&nbsp;</a></span>operator=()</h2>
  
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294 ··</td>294 ··</td>
295 ··<td·class="mlabels-right">295 ··<td·class="mlabels-right">
296 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>296 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
297 ··</tr>297 ··</tr>
298 </table>298 </table>
299 </div><div·class="memdoc">299 </div><div·class="memdoc">
  
300 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00063">63</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">atomIterator.h</a>.</p>300 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d19/a00515_source.html#l00063">63</a>·of·file·<a·class="el"·href="../../dc/d19/a00515_source.html">atomIterator.h</a>.</p>
  
301 </div>301 </div>
302 </div>302 </div>
303 <a·id="aa71a8148bd8b384ed748b349306c92fd"·name="aa71a8148bd8b384ed748b349306c92fd"></a>303 <a·id="aa71a8148bd8b384ed748b349306c92fd"·name="aa71a8148bd8b384ed748b349306c92fd"></a>
304 <h2·class="memtitle"><span·class="permalink"><a·href="#aa71a8148bd8b384ed748b349306c92fd">&#9670;&nbsp;</a></span>resetPredicate()</h2>304 <h2·class="memtitle"><span·class="permalink"><a·href="#aa71a8148bd8b384ed748b349306c92fd">&#9670;&nbsp;</a></span>resetPredicate()</h2>
  
305 <div·class="memitem">305 <div·class="memitem">
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321 ··</td>321 ··</td>
322 ··<td·class="mlabels-right">322 ··<td·class="mlabels-right">
323 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>323 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
324 ··</tr>324 ··</tr>
325 </table>325 </table>
326 </div><div·class="memdoc">326 </div><div·class="memdoc">
  
327 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">atomIterator.h</a>.</p>327 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d19/a00515_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../dc/d19/a00515_source.html">atomIterator.h</a>.</p>
  
328 </div>328 </div>
329 </div>329 </div>
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331 <!--·start·footer·part·-->331 <!--·start·footer·part·-->
332 <hr·class="footer"/><address·class="footer"><small>332 <hr·class="footer"/><address·class="footer"><small>
333 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4333 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 ··<div·class="headertitle"><div·class="title">BALL::HybridisationProcessor::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::HybridisationProcessor::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../d7/d30/a06950.html"·title="Default·values·for·options.">Default</a>·values·for·options.··75 <p><a·class="el"·href="../../d7/d30/a06950.html"·title="Default·values·for·options.">Default</a>·values·for·options.··
76 ·<a·href="../../d7/d30/a06950.html#details">More...</a></p>76 ·<a·href="../../d7/d30/a06950.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../da/d36/a00650_source.html">BALL/STRUCTURE/hybridisationProcessor.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d9/d27/a01763_source.html">BALL/STRUCTURE/hybridisationProcessor.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
80 Static·Public·Attributes</h2></td></tr>80 Static·Public·Attributes</h2></td></tr>
81 <tr·class="memitem:a8d9c35926bb8dcc4e3e8744bd03c3f16"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d30/a06950.html#a8d9c35926bb8dcc4e3e8744bd03c3f16">ATOM_TYPE_SMARTS_FILENAME</a></td></tr>81 <tr·class="memitem:a8d9c35926bb8dcc4e3e8744bd03c3f16"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d30/a06950.html#a8d9c35926bb8dcc4e3e8744bd03c3f16">ATOM_TYPE_SMARTS_FILENAME</a></td></tr>
82 <tr·class="memdesc:a8d9c35926bb8dcc4e3e8744bd03c3f16"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">default·file·name·for·the·atom·type·smarts··<a·href="../../d7/d30/a06950.html#a8d9c35926bb8dcc4e3e8744bd03c3f16">More...</a><br·/></td></tr>82 <tr·class="memdesc:a8d9c35926bb8dcc4e3e8744bd03c3f16"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">default·file·name·for·the·atom·type·smarts··<a·href="../../d7/d30/a06950.html#a8d9c35926bb8dcc4e3e8744bd03c3f16">More...</a><br·/></td></tr>
83 <tr·class="separator:a8d9c35926bb8dcc4e3e8744bd03c3f16"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:a8d9c35926bb8dcc4e3e8744bd03c3f16"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
84 <tr·class="memitem:a7b136219fd87c0a4340f2e67402101db"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d30/a06950.html#a7b136219fd87c0a4340f2e67402101db">ATOM_TYPE_FF_FILENAME</a></td></tr>84 <tr·class="memitem:a7b136219fd87c0a4340f2e67402101db"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d30/a06950.html#a7b136219fd87c0a4340f2e67402101db">ATOM_TYPE_FF_FILENAME</a></td></tr>
85 <tr·class="separator:a7b136219fd87c0a4340f2e67402101db"><td·class="memSeparator"·colspan="2">&#160;</td></tr>85 <tr·class="separator:a7b136219fd87c0a4340f2e67402101db"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
86 <tr·class="memitem:ae1d8833c5c5bdb7326066ed70bdc0288"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d30/a06950.html#ae1d8833c5c5bdb7326066ed70bdc0288">METHOD</a></td></tr>86 <tr·class="memitem:ae1d8833c5c5bdb7326066ed70bdc0288"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d30/a06950.html#ae1d8833c5c5bdb7326066ed70bdc0288">METHOD</a></td></tr>
87 <tr·class="separator:ae1d8833c5c5bdb7326066ed70bdc0288"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:ae1d8833c5c5bdb7326066ed70bdc0288"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock"><p·><a·class="el"·href="../../d7/d30/a06950.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>90 <div·class="textblock"><p·><a·class="el"·href="../../d7/d30/a06950.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>
  
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">hybridisationProcessor.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
92 </div><h2·class="groupheader">Member·Data·Documentation</h2>92 </div><h2·class="groupheader">Member·Data·Documentation</h2>
93 <a·id="a7b136219fd87c0a4340f2e67402101db"·name="a7b136219fd87c0a4340f2e67402101db"></a>93 <a·id="a7b136219fd87c0a4340f2e67402101db"·name="a7b136219fd87c0a4340f2e67402101db"></a>
94 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b136219fd87c0a4340f2e67402101db">&#9670;&nbsp;</a></span>ATOM_TYPE_FF_FILENAME</h2>94 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b136219fd87c0a4340f2e67402101db">&#9670;&nbsp;</a></span>ATOM_TYPE_FF_FILENAME</h2>
  
95 <div·class="memitem">95 <div·class="memitem">
96 <div·class="memproto">96 <div·class="memproto">
97 <table·class="mlabels">97 <table·class="mlabels">
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110 ··<td·class="mlabels-right">110 ··<td·class="mlabels-right">
111 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>111 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
112 ··</tr>112 ··</tr>
113 </table>113 </table>
114 </div><div·class="memdoc">114 </div><div·class="memdoc">
115 <p·>default·file·name·for·the·atom·types,·hybridisation·states,·and·bond·angles·(force·field·based)·</p>115 <p·>default·file·name·for·the·atom·types,·hybridisation·states,·and·bond·angles·(force·field·based)·</p>
  
116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00086">86</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">hybridisationProcessor.h</a>.</p>116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00086">86</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
  
117 </div>117 </div>
118 </div>118 </div>
119 <a·id="a8d9c35926bb8dcc4e3e8744bd03c3f16"·name="a8d9c35926bb8dcc4e3e8744bd03c3f16"></a>119 <a·id="a8d9c35926bb8dcc4e3e8744bd03c3f16"·name="a8d9c35926bb8dcc4e3e8744bd03c3f16"></a>
120 <h2·class="memtitle"><span·class="permalink"><a·href="#a8d9c35926bb8dcc4e3e8744bd03c3f16">&#9670;&nbsp;</a></span>ATOM_TYPE_SMARTS_FILENAME</h2>120 <h2·class="memtitle"><span·class="permalink"><a·href="#a8d9c35926bb8dcc4e3e8744bd03c3f16">&#9670;&nbsp;</a></span>ATOM_TYPE_SMARTS_FILENAME</h2>
  
121 <div·class="memitem">121 <div·class="memitem">
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136 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>136 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
137 ··</tr>137 ··</tr>
138 </table>138 </table>
139 </div><div·class="memdoc">139 </div><div·class="memdoc">
  
140 <p>default·file·name·for·the·atom·type·smarts·</p>140 <p>default·file·name·for·the·atom·type·smarts·</p>
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">hybridisationProcessor.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
  
142 </div>142 </div>
143 </div>143 </div>
144 <a·id="ae1d8833c5c5bdb7326066ed70bdc0288"·name="ae1d8833c5c5bdb7326066ed70bdc0288"></a>144 <a·id="ae1d8833c5c5bdb7326066ed70bdc0288"·name="ae1d8833c5c5bdb7326066ed70bdc0288"></a>
145 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1d8833c5c5bdb7326066ed70bdc0288">&#9670;&nbsp;</a></span>METHOD</h2>145 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1d8833c5c5bdb7326066ed70bdc0288">&#9670;&nbsp;</a></span>METHOD</h2>
  
146 <div·class="memitem">146 <div·class="memitem">
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161 ··<td·class="mlabels-right">161 ··<td·class="mlabels-right">
162 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>162 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
163 ··</tr>163 ··</tr>
164 </table>164 </table>
165 </div><div·class="memdoc">165 </div><div·class="memdoc">
166 <p·>this·option·is·set·to·<a·class="el"·href="../../d0/d1d/a06954.html#af522bf9a72e68d071d6d5ac9acb09a97">HybridisationProcessor::Method::SMART_MATCHING</a>·by·default·</p>166 <p·>this·option·is·set·to·<a·class="el"·href="../../d0/d1d/a06954.html#af522bf9a72e68d071d6d5ac9acb09a97">HybridisationProcessor::Method::SMART_MATCHING</a>·by·default·</p>
  
167 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00091">91</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">hybridisationProcessor.h</a>.</p>167 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00091">91</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
  
168 </div>168 </div>
169 </div>169 </div>
170 </div><!--·contents·-->170 </div><!--·contents·-->
171 <!--·start·footer·part·-->171 <!--·start·footer·part·-->
172 <hr·class="footer"/><address·class="footer"><small>172 <hr·class="footer"/><address·class="footer"><small>
173 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4173 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d3/d9a/a04075.html">List·of·all·members</a>··</div>70 <a·href="../../d3/d9a/a04075.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::Parameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d8/d08/a02143.html">General·Purpose·File·Formats</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::Parameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d8/d08/a02143.html">General·Purpose·File·Formats</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../df/d98/a00107_source.html">BALL/FORMAT/parameters.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d4/d95/a00989_source.html">BALL/FORMAT/parameters.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::Parameters:</div>76 Inheritance·diagram·for·BALL::Parameters:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d7/d34/a04078.png"·usemap="#BALL::Parameters_map"·alt=""/>79 ··<img·src="../../d7/d34/a04078.png"·usemap="#BALL::Parameters_map"·alt=""/>
80 ··<map·id="BALL::Parameters_map"·name="BALL::Parameters_map">80 ··<map·id="BALL::Parameters_map"·name="BALL::Parameters_map">
81 <area·href="../../dd/d9e/a05378.html"·alt="BALL::ForceFieldParameters"·shape="rect"·coords="0,56,175,80"/>81 <area·href="../../dd/d9e/a05378.html"·alt="BALL::ForceFieldParameters"·shape="rect"·coords="0,56,175,80"/>
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118 <tr·class="separator:a4374c0f370bfbea961456d456004560b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>118 <tr·class="separator:a4374c0f370bfbea961456d456004560b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
119 <tr·class="memitem:a01cca53136b74eaa81429e8a91077eb1"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d34/a04078.html#a01cca53136b74eaa81429e8a91077eb1">operator==</a>·(const·<a·class="el"·href="../../d7/d34/a04078.html">Parameters</a>·&amp;parameters)·const</td></tr>119 <tr·class="memitem:a01cca53136b74eaa81429e8a91077eb1"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d34/a04078.html#a01cca53136b74eaa81429e8a91077eb1">operator==</a>·(const·<a·class="el"·href="../../d7/d34/a04078.html">Parameters</a>·&amp;parameters)·const</td></tr>
120 <tr·class="separator:a01cca53136b74eaa81429e8a91077eb1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>120 <tr·class="separator:a01cca53136b74eaa81429e8a91077eb1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
121 </table>121 </table>
122 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>122 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
123 <div·class="textblock"><p·>General·Parameter·class.·This·class·is·intended·to·simplify·parameter·management·for·force·fields·or·other·stronlgy·parameterized·methods.·It·is·based·on·<a·class="el"·href="../../d1/d59/a03926.html">INIFile·</a>·.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>123 <div·class="textblock"><p·>General·Parameter·class.·This·class·is·intended·to·simplify·parameter·management·for·force·fields·or·other·stronlgy·parameterized·methods.·It·is·based·on·<a·class="el"·href="../../d1/d59/a03926.html">INIFile·</a>·.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d98/a00107_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../df/d98/a00107_source.html">parameters.h</a>.</p>124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d95/a00989_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d4/d95/a00989_source.html">parameters.h</a>.</p>
125 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>125 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
126 <a·id="a4104e0844fb5fdb752c96577b4a395c4"·name="a4104e0844fb5fdb752c96577b4a395c4"></a>126 <a·id="a4104e0844fb5fdb752c96577b4a395c4"·name="a4104e0844fb5fdb752c96577b4a395c4"></a>
127 <h2·class="memtitle"><span·class="permalink"><a·href="#a4104e0844fb5fdb752c96577b4a395c4">&#9670;&nbsp;</a></span>Parameters()·<span·class="overload">[1/3]</span></h2>127 <h2·class="memtitle"><span·class="permalink"><a·href="#a4104e0844fb5fdb752c96577b4a395c4">&#9670;&nbsp;</a></span>Parameters()·<span·class="overload">[1/3]</span></h2>
  
128 <div·class="memitem">128 <div·class="memitem">
129 <div·class="memproto">129 <div·class="memproto">
130 ······<table·class="memname">130 ······<table·class="memname">
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392 ··</td>392 ··</td>
393 ··<td·class="mlabels-right">393 ··<td·class="mlabels-right">
394 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>394 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
395 ··</tr>395 ··</tr>
396 </table>396 </table>
397 </div><div·class="memdoc">397 </div><div·class="memdoc">
  
398 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d98/a00107_source.html#l00115">115</a>·of·file·<a·class="el"·href="../../df/d98/a00107_source.html">parameters.h</a>.</p>398 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d95/a00989_source.html#l00115">115</a>·of·file·<a·class="el"·href="../../d4/d95/a00989_source.html">parameters.h</a>.</p>
  
399 </div>399 </div>
400 </div>400 </div>
401 <a·id="a6c7cd034be16263647aafe90177e4f68"·name="a6c7cd034be16263647aafe90177e4f68"></a>401 <a·id="a6c7cd034be16263647aafe90177e4f68"·name="a6c7cd034be16263647aafe90177e4f68"></a>
402 <h2·class="memtitle"><span·class="permalink"><a·href="#a6c7cd034be16263647aafe90177e4f68">&#9670;&nbsp;</a></span>valid_</h2>402 <h2·class="memtitle"><span·class="permalink"><a·href="#a6c7cd034be16263647aafe90177e4f68">&#9670;&nbsp;</a></span>valid_</h2>
  
403 <div·class="memitem">403 <div·class="memitem">
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72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::LibsvmModel·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::LibsvmModel·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d13/a02045_source.html">BALL/QSAR/libsvmModel.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dc/dc9/a00389_source.html">BALL/QSAR/libsvmModel.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::QSAR::LibsvmModel:</div>77 Inheritance·diagram·for·BALL::QSAR::LibsvmModel:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d7/d3f/a05754.png"·usemap="#BALL::QSAR::LibsvmModel_map"·alt=""/>80 ··<img·src="../../d7/d3f/a05754.png"·usemap="#BALL::QSAR::LibsvmModel_map"·alt=""/>
81 ··<map·id="BALL::QSAR::LibsvmModel_map"·name="BALL::QSAR::LibsvmModel_map">81 ··<map·id="BALL::QSAR::LibsvmModel_map"·name="BALL::QSAR::LibsvmModel_map">
82 <area·href="../../d9/d59/a06110.html"·alt="BALL::QSAR::SVRModel"·shape="rect"·coords="0,224,188,248"/>82 <area·href="../../d9/d59/a06110.html"·alt="BALL::QSAR::SVRModel"·shape="rect"·coords="0,224,188,248"/>
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268 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>268 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>
269 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>269 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
270 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>270 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
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272 </table>272 </table>
273 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>273 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
274 <div·class="textblock">274 <div·class="textblock">
275 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d13/a02045_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d7/d13/a02045_source.html">libsvmModel.h</a>.</p>275 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dc9/a00389_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../dc/dc9/a00389_source.html">libsvmModel.h</a>.</p>
276 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>276 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
277 <a·id="a76c5ee2f1d974ee3904ad6126a0d24cf"·name="a76c5ee2f1d974ee3904ad6126a0d24cf"></a>277 <a·id="a76c5ee2f1d974ee3904ad6126a0d24cf"·name="a76c5ee2f1d974ee3904ad6126a0d24cf"></a>
278 <h2·class="memtitle"><span·class="permalink"><a·href="#a76c5ee2f1d974ee3904ad6126a0d24cf">&#9670;&nbsp;</a></span>LibsvmModel()</h2>278 <h2·class="memtitle"><span·class="permalink"><a·href="#a76c5ee2f1d974ee3904ad6126a0d24cf">&#9670;&nbsp;</a></span>LibsvmModel()</h2>
  
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8 <title>BALL:·PB.h·File·Reference</title>8 <title>BALL:·maths.doc·File·Reference</title>
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10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath"> 
63 ··<ul> 
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul> 
65 </div> 
66 </div><!--·top·-->62 </div><!--·top·-->
67 <div·class="header">63 <div·class="header">
68 ··<div·class="summary"> 
69 <a·href="#nested-classes">Classes</a>·&#124; 
70 <a·href="#namespaces">Namespaces</a>··</div> 
71 ··<div·class="headertitle"><div·class="title">PB.h·File·Reference</div></div>64 ··<div·class="headertitle"><div·class="title">maths.doc·File·Reference</div></div>
72 </div><!--header-->65 </div><!--header-->
73 <div·class="contents">66 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/dc8/a00242_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/SOLVATION/poissonBoltzmann.h</a>&gt;</code><br·/> 
76 </div> 
77 <p><a·href="../../d7/d40/a00236_source.html">Go·to·the·source·code·of·this·file.</a></p> 
78 <table·class="memberdecls"> 
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
80 Classes</h2></td></tr> 
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d1b/a06326.html">BALL::PB</a></td></tr> 
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
83 </table><table·class="memberdecls"> 
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
85 Namespaces</h2></td></tr> 
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
88 </table> 
89 </div><!--·contents·-->67 </div><!--·contents·-->
90 <!--·start·footer·part·-->68 <!--·start·footer·part·-->
91 <hr·class="footer"/><address·class="footer"><small>69 <hr·class="footer"/><address·class="footer"><small>
92 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.470 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 <a·href="#pro-slots">Protected·Slots</a>·&#124;72 <a·href="#pro-slots">Protected·Slots</a>·&#124;
73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
74 <a·href="../../de/db8/a07711.html">List·of·all·members</a>··</div>74 <a·href="../../de/db8/a07711.html">List·of·all·members</a>··</div>
75 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RaytraceableContourSurfaceDialog·Class·Reference</div></div>75 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RaytraceableContourSurfaceDialog·Class·Reference</div></div>
76 </div><!--header-->76 </div><!--header-->
77 <div·class="contents">77 <div·class="contents">
  
78 <p><code>#include·&lt;<a·class="el"·href="../../d0/d00/a01286_source.html">BALL/VIEW/DIALOGS/raytraceableContourSurfaceDialog.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../d6/db6/a01172_source.html">BALL/VIEW/DIALOGS/raytraceableContourSurfaceDialog.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
80 Inheritance·diagram·for·BALL::VIEW::RaytraceableContourSurfaceDialog:</div>80 Inheritance·diagram·for·BALL::VIEW::RaytraceableContourSurfaceDialog:</div>
81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../d7/d40/a07714.png"·usemap="#BALL::VIEW::RaytraceableContourSurfaceDialog_map"·alt=""/>83 ··<img·src="../../d7/d40/a07714.png"·usemap="#BALL::VIEW::RaytraceableContourSurfaceDialog_map"·alt=""/>
84 ··<map·id="BALL::VIEW::RaytraceableContourSurfaceDialog_map"·name="BALL::VIEW::RaytraceableContourSurfaceDialog_map">84 ··<map·id="BALL::VIEW::RaytraceableContourSurfaceDialog_map"·name="BALL::VIEW::RaytraceableContourSurfaceDialog_map">
85 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,56,287,80"/>85 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,56,287,80"/>
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267 <tr·class="separator:a52952722d0450408e058bdd3234adeb3·inherit·pro_attribs_a07922"><td·class="memSeparator"·colspan="2">&#160;</td></tr>267 <tr·class="separator:a52952722d0450408e058bdd3234adeb3·inherit·pro_attribs_a07922"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
268 </table>268 </table>
269 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>269 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
270 <div·class="textblock"><p·>Dialog·for·selecting·contour·urface·thresholds·for·the·raytracing·mode·of·scene.·\ingroups·ViewDialogs·</p>270 <div·class="textblock"><p·>Dialog·for·selecting·contour·urface·thresholds·for·the·raytracing·mode·of·scene.·\ingroups·ViewDialogs·</p>
  
271 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d00/a01286_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d0/d00/a01286_source.html">raytraceableContourSurfaceDialog.h</a>.</p>271 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db6/a01172_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d6/db6/a01172_source.html">raytraceableContourSurfaceDialog.h</a>.</p>
272 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>272 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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274 <h2·class="memtitle"><span·class="permalink"><a·href="#a7c351d2d5ce0777703e80376c8f9614c">&#9670;&nbsp;</a></span>RaytraceableContourSurfaceDialog()</h2>274 <h2·class="memtitle"><span·class="permalink"><a·href="#a7c351d2d5ce0777703e80376c8f9614c">&#9670;&nbsp;</a></span>RaytraceableContourSurfaceDialog()</h2>
  
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559 ··</tr>559 ··</tr>
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562 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d00/a01286_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d0/d00/a01286_source.html">raytraceableContourSurfaceDialog.h</a>.</p>562 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db6/a01172_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d6/db6/a01172_source.html">raytraceableContourSurfaceDialog.h</a>.</p>
  
563 </div>563 </div>
564 </div>564 </div>
565 <a·id="a8ba3327bc8cb58d609cb7aab05ed856c"·name="a8ba3327bc8cb58d609cb7aab05ed856c"></a>565 <a·id="a8ba3327bc8cb58d609cb7aab05ed856c"·name="a8ba3327bc8cb58d609cb7aab05ed856c"></a>
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567 <div·class="memitem">567 <div·class="memitem">
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634 ··</td>634 ··</td>
635 ··<td·class="mlabels-right">635 ··<td·class="mlabels-right">
636 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>636 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
637 ··</tr>637 ··</tr>
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640 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d00/a01286_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d0/d00/a01286_source.html">raytraceableContourSurfaceDialog.h</a>.</p>640 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db6/a01172_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d6/db6/a01172_source.html">raytraceableContourSurfaceDialog.h</a>.</p>
  
641 </div>641 </div>
642 </div>642 </div>
643 </div><!--·contents·-->643 </div><!--·contents·-->
644 <!--·start·footer·part·-->644 <!--·start·footer·part·-->
645 <hr·class="footer"/><address·class="footer"><small>645 <hr·class="footer"/><address·class="footer"><small>
646 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4646 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
73 <a·href="../../da/ddf/a08143.html">List·of·all·members</a>··</div>73 <a·href="../../da/ddf/a08143.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ModularWidgetPluginHandler·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ModularWidgetPluginHandler·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d0/d67/a01232_source.html">BALL/VIEW/PLUGIN/modularWidgetPluginHandler.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d3/ddc/a01142_source.html">BALL/VIEW/PLUGIN/modularWidgetPluginHandler.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::VIEW::ModularWidgetPluginHandler:</div>79 Inheritance·diagram·for·BALL::VIEW::ModularWidgetPluginHandler:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d7/d40/a08146.png"·usemap="#BALL::VIEW::ModularWidgetPluginHandler_map"·alt=""/>82 ··<img·src="../../d7/d40/a08146.png"·usemap="#BALL::VIEW::ModularWidgetPluginHandler_map"·alt=""/>
83 ··<map·id="BALL::VIEW::ModularWidgetPluginHandler_map"·name="BALL::VIEW::ModularWidgetPluginHandler_map">83 ··<map·id="BALL::VIEW::ModularWidgetPluginHandler_map"·name="BALL::VIEW::ModularWidgetPluginHandler_map">
84 <area·href="../../da/d41/a05550.html"·alt="BALL::PluginHandler"·shape="rect"·coords="0,0,251,24"/>84 <area·href="../../da/d41/a05550.html"·alt="BALL::PluginHandler"·shape="rect"·coords="0,0,251,24"/>
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124 <tr·class="inherit_header·pro_attribs_a05550"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a05550')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../da/d41/a05550.html">BALL::PluginHandler</a></td></tr>124 <tr·class="inherit_header·pro_attribs_a05550"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a05550')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../da/d41/a05550.html">BALL::PluginHandler</a></td></tr>
125 <tr·class="memitem:ad2f1fe3a241b5069c4a60b4429e71ec2·inherit·pro_attribs_a05550"><td·class="memItemLeft"·align="right"·valign="top">std::list&lt;·<a·class="el"·href="../../d1/d22/a05546.html">BALLPlugin</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d41/a05550.html#ad2f1fe3a241b5069c4a60b4429e71ec2">running_plugins_</a></td></tr>125 <tr·class="memitem:ad2f1fe3a241b5069c4a60b4429e71ec2·inherit·pro_attribs_a05550"><td·class="memItemLeft"·align="right"·valign="top">std::list&lt;·<a·class="el"·href="../../d1/d22/a05546.html">BALLPlugin</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d41/a05550.html#ad2f1fe3a241b5069c4a60b4429e71ec2">running_plugins_</a></td></tr>
126 <tr·class="separator:ad2f1fe3a241b5069c4a60b4429e71ec2·inherit·pro_attribs_a05550"><td·class="memSeparator"·colspan="2">&#160;</td></tr>126 <tr·class="separator:ad2f1fe3a241b5069c4a60b4429e71ec2·inherit·pro_attribs_a05550"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
127 </table>127 </table>
128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
129 <div·class="textblock"><p·>See·<a·class="el"·href="../../da/d41/a05550.html">PluginHandler</a>·for·detailed·documentation·</p>129 <div·class="textblock"><p·>See·<a·class="el"·href="../../da/d41/a05550.html">PluginHandler</a>·for·detailed·documentation·</p>
  
130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d67/a01232_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d0/d67/a01232_source.html">modularWidgetPluginHandler.h</a>.</p>130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/ddc/a01142_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d3/ddc/a01142_source.html">modularWidgetPluginHandler.h</a>.</p>
131 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>131 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
132 <a·id="a18041c7a31398a1a87c3e09e7927ff32"·name="a18041c7a31398a1a87c3e09e7927ff32"></a>132 <a·id="a18041c7a31398a1a87c3e09e7927ff32"·name="a18041c7a31398a1a87c3e09e7927ff32"></a>
133 <h2·class="memtitle"><span·class="permalink"><a·href="#a18041c7a31398a1a87c3e09e7927ff32">&#9670;&nbsp;</a></span>ModularWidgetPluginHandler()</h2>133 <h2·class="memtitle"><span·class="permalink"><a·href="#a18041c7a31398a1a87c3e09e7927ff32">&#9670;&nbsp;</a></span>ModularWidgetPluginHandler()</h2>
  
134 <div·class="memitem">134 <div·class="memitem">
135 <div·class="memproto">135 <div·class="memproto">
136 ······<table·class="memname">136 ······<table·class="memname">
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259 ··</td>259 ··</td>
260 ··<td·class="mlabels-right">260 ··<td·class="mlabels-right">
261 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>261 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
262 ··</tr>262 ··</tr>
263 </table>263 </table>
264 </div><div·class="memdoc">264 </div><div·class="memdoc">
  
265 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d67/a01232_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d0/d67/a01232_source.html">modularWidgetPluginHandler.h</a>.</p>265 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/ddc/a01142_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d3/ddc/a01142_source.html">modularWidgetPluginHandler.h</a>.</p>
  
266 </div>266 </div>
267 </div>267 </div>
268 <a·id="ae69e24292d2de42508b10b9f8b324620"·name="ae69e24292d2de42508b10b9f8b324620"></a>268 <a·id="ae69e24292d2de42508b10b9f8b324620"·name="ae69e24292d2de42508b10b9f8b324620"></a>
269 <h2·class="memtitle"><span·class="permalink"><a·href="#ae69e24292d2de42508b10b9f8b324620">&#9670;&nbsp;</a></span>modular_widget_</h2>269 <h2·class="memtitle"><span·class="permalink"><a·href="#ae69e24292d2de42508b10b9f8b324620">&#9670;&nbsp;</a></span>modular_widget_</h2>
  
270 <div·class="memitem">270 <div·class="memitem">
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283 ··</td>283 ··</td>
284 ··<td·class="mlabels-right">284 ··<td·class="mlabels-right">
285 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>285 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
286 ··</tr>286 ··</tr>
287 </table>287 </table>
288 </div><div·class="memdoc">288 </div><div·class="memdoc">
  
289 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d67/a01232_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d0/d67/a01232_source.html">modularWidgetPluginHandler.h</a>.</p>289 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/ddc/a01142_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d3/ddc/a01142_source.html">modularWidgetPluginHandler.h</a>.</p>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li><li·class="navelem"><a·class="el"·href="../../dir_63800ef38c29322dc72b2a63f41a2424.html">RENDERERS</a></li>··</ul>
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">gridVisualisation.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">XML3DRenderer.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d27/a01043_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d6f/a01445_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/d29/a01895_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../dd/dd7/a00260_source.html">BALL/MATHS/surface.h</a>&gt;</code><br·/>
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77 <p><a·href="../../d7/d42/a01463_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../d7/d42/a01463_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">81 <table·class="memberdecls">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">bendComponent.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">MOPACInputFile.h·File·Reference</div></div>
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73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
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75 <code>#include·&lt;<a·class="el"·href="../../dc/d17/a00872_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../df/d0e/a00800_source.html">BALL/MOLMEC/PARAMETER/quadraticAngleBend.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
77 </div>78 </div>
78 <p><a·href="../../d7/d46/a00890_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d7/d46/a00890_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">80 <table·class="memberdecls">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">conjugateGradient.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">objectCreator.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/MOLMEC/MINIMIZATION/energyMinimizer.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/dcf/a00845_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d6/d2f/a00854_source.html">BALL/MOLMEC/MINIMIZATION/lineSearch.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d5/d12/a00794_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d9/daf/a00830_source.html">BALL/CONCEPT/textPersistenceManager.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../dc/dce/a00740_source.html">BALL/SYSTEM/networking.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;vector&gt;</code><br·/>
76 </div>79 </div>
77 <p><a·href="../../d7/d49/a00863_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../d7/d49/a00863_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">81 <table·class="memberdecls">
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133 <div·class="memitem">133 <div·class="memitem">
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77 <code>#include·&lt;BALL/VIEW/UIC/ui_pythonSettings.h&gt;</code><br·/> 
78 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/> 
79 <code>#include·&lt;QtGui/QFont&gt;</code><br·/> 
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81 <p><a·href="../../d7/d51/a01340_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d7/d51/a01340_source.html">Go·to·the·source·code·of·this·file.</a></p>
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72 ··<div·class="headertitle"><div·class="title">BALL::ScoringFunction::Result·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ScoringFunction::Result·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
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85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
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88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d42/a00269_source.html#l00464">464</a>·of·file·<a·class="el"·href="../../d5/d42/a00269_source.html">scoringFunction.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dd7/a01970_source.html#l00464">464</a>·of·file·<a·class="el"·href="../../d5/dd7/a01970_source.html">scoringFunction.h</a>.</p>
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97 ········</tr>97 ········</tr>
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99 </div><div·class="memdoc">99 </div><div·class="memdoc">
100 <p·>Score·for·interaction·between·ligand·and·receptor.·</p>100 <p·>Score·for·interaction·between·ligand·and·receptor.·</p>
  
101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d42/a00269_source.html#l00474">474</a>·of·file·<a·class="el"·href="../../d5/d42/a00269_source.html">scoringFunction.h</a>.</p>101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dd7/a01970_source.html#l00474">474</a>·of·file·<a·class="el"·href="../../d5/dd7/a01970_source.html">scoringFunction.h</a>.</p>
  
102 </div>102 </div>
103 </div>103 </div>
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106 <div·class="memitem">106 <div·class="memitem">
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114 ········<tr>114 ········<tr>
115 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::ScoringFunction::Result::ligand_conformation</td>115 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::ScoringFunction::Result::ligand_conformation</td>
116 ········</tr>116 ········</tr>
117 ······</table>117 ······</table>
118 </div><div·class="memdoc">118 </div><div·class="memdoc">
119 <p·>Score·for·the·conformation·of·the·current·ligand.·</p>119 <p·>Score·for·the·conformation·of·the·current·ligand.·</p>
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d42/a00269_source.html#l00469">469</a>·of·file·<a·class="el"·href="../../d5/d42/a00269_source.html">scoringFunction.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dd7/a01970_source.html#l00469">469</a>·of·file·<a·class="el"·href="../../d5/dd7/a01970_source.html">scoringFunction.h</a>.</p>
  
121 </div>121 </div>
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125 <div·class="memitem">125 <div·class="memitem">
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131 ········<tr>131 ········<tr>
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133 ········</tr>133 ········</tr>
134 ······</table>134 ······</table>
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136 <p·>One·penalty·value·for·each·<a·class="el"·href="../../df/df2/a03638.html">ReferenceArea</a>.·</p>136 <p·>One·penalty·value·for·each·<a·class="el"·href="../../df/df2/a03638.html">ReferenceArea</a>.·</p>
  
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72 ··<div·class="headertitle"><div·class="title">BALL::ResiduePredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ResiduePredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
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117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Predicate·for·matching·residues.·Returns·<code>true</code>,·if·the·name·of·the·residue·that·the·atom·belongs·to·matches·exactly·the·argument·of·this·predicate.·</p>122 <div·class="textblock"><p·>Predicate·for·matching·residues.·Returns·<code>true</code>,·if·the·name·of·the·residue·that·the·atom·belongs·to·matches·exactly·the·argument·of·this·predicate.·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00154">154</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00154">154</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
125 <a·id="a8820845e97079abd76dfde4a61186396"·name="a8820845e97079abd76dfde4a61186396"></a>125 <a·id="a8820845e97079abd76dfde4a61186396"·name="a8820845e97079abd76dfde4a61186396"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a8820845e97079abd76dfde4a61186396">&#9670;&nbsp;</a></span>operator()()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a8820845e97079abd76dfde4a61186396">&#9670;&nbsp;</a></span>operator()()</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
128 <div·class="memproto">128 <div·class="memproto">
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d6/df4/a05747.html">List·of·all·members</a>··</div>70 <a·href="../../d6/df4/a05747.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::LDAModel·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::LDAModel·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/QSAR/ldaModel.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d8/d8e/a00344_source.html">BALL/QSAR/ldaModel.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::QSAR::LDAModel:</div>76 Inheritance·diagram·for·BALL::QSAR::LDAModel:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d7/d55/a05750.png"·usemap="#BALL::QSAR::LDAModel_map"·alt=""/>79 ··<img·src="../../d7/d55/a05750.png"·usemap="#BALL::QSAR::LDAModel_map"·alt=""/>
80 ··<map·id="BALL::QSAR::LDAModel_map"·name="BALL::QSAR::LDAModel_map">80 ··<map·id="BALL::QSAR::LDAModel_map"·name="BALL::QSAR::LDAModel_map">
81 <area·href="../../d4/dff/a05618.html"·alt="BALL::QSAR::ClassificationModel"·shape="rect"·coords="0,56,200,80"/>81 <area·href="../../d4/dff/a05618.html"·alt="BALL::QSAR::ClassificationModel"·shape="rect"·coords="0,56,200,80"/>
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235 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>235 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
236 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>236 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
237 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>237 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
238 </table>238 </table>
239 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>239 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
240 <div·class="textblock"><p·>class·for·support·vector·classification·</p>240 <div·class="textblock"><p·>class·for·support·vector·classification·</p>
  
241 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d46/a01967_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../de/d46/a01967_source.html">ldaModel.h</a>.</p>241 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d8e/a00344_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d8/d8e/a00344_source.html">ldaModel.h</a>.</p>
242 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>242 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
243 <a·id="a528710d8df1da81dbf2d22f70012a751"·name="a528710d8df1da81dbf2d22f70012a751"></a>243 <a·id="a528710d8df1da81dbf2d22f70012a751"·name="a528710d8df1da81dbf2d22f70012a751"></a>
244 <h2·class="memtitle"><span·class="permalink"><a·href="#a528710d8df1da81dbf2d22f70012a751">&#9670;&nbsp;</a></span>LDAModel()</h2>244 <h2·class="memtitle"><span·class="permalink"><a·href="#a528710d8df1da81dbf2d22f70012a751">&#9670;&nbsp;</a></span>LDAModel()</h2>
  
245 <div·class="memitem">245 <div·class="memitem">
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8 <title>BALL:·EFShiftProcessor.h·File·Reference</title>8 <title>BALL:·Model.h·File·Reference</title>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
 71 <a·href="#func-members">Functions</a>··</div>
71 ··<div·class="headertitle"><div·class="title">EFShiftProcessor.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">Model.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d9d/a00464_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d4a/a00479_source.html">BALL/QSAR/validation.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d3/def/a00446_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d8/d23/a00326_source.html">BALL/KERNEL/expression.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d7/d03/a00254_source.html">BALL/MATHS/parsedFunction.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;vector&gt;</code><br·/>
 80 <code>#include·&lt;set&gt;</code><br·/>
 81 <code>#include·&lt;Eigen/Core&gt;</code><br·/>
76 </div>82 </div>
77 <p><a·href="../../d7/d5e/a00467_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d7/d5e/a00467_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">84 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>86 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d03/a05466.html">BALL::EFShiftProcessor</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html">BALL::QSAR::Model</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
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85 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 94 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>
 95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 </table><table·class="memberdecls">
 97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 98 Functions</h2></td></tr>
 99 <tr·class="memitem:af42aa0c85e80a8a0d5002b9a8b758c04"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·Model·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html#af42aa0c85e80a8a0d5002b9a8b758c04">BALL::QSAR::createNewModelFromFile</a>·(String·model_file,·const·QSARData·&amp;q)</td></tr>
 100 <tr·class="separator:af42aa0c85e80a8a0d5002b9a8b758c04"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>101 </table>
89 </div><!--·contents·-->102 </div><!--·contents·-->
90 <!--·start·footer·part·-->103 <!--·start·footer·part·-->
91 <hr·class="footer"/><address·class="footer"><small>104 <hr·class="footer"/><address·class="footer"><small>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../d2/d40/a04123.html">List·of·all·members</a>··</div>71 <a·href="../../d2/d40/a04123.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCOMPND·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCOMPND·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
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72 ··<div·class="headertitle"><div·class="title">surface.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">trianglePoint.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
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77 <p><a·href="../../d7/d62/a01805_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d7/d62/a01805_source.html">Go·to·the·source·code·of·this·file.</a></p>
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92 Typedefs</h2></td></tr> 
93 <tr·class="memitem:gaa84e6d848adb90d3b7014c41c6e6e8e9"><td·class="memItemLeft"·align="right"·valign="top">typedef·TSurface&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·hre[·...·truncated·by·diffoscope;·len:·80,·SHA:·9d6c55c2435e3fe8d1876a37fb2659fd4f59c3bcbaf7152e23b5d8d57c655c95·...·]></td></tr>92 Functions</h2></td></tr>
 93 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>
 94 <tr·class="memitem:gaf917a1bc7e685f7ecd8acd6f901cf8d7"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gaf917a1bc7e685f7ecd8acd6f901cf8d7">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·TrianglePoint·&amp;point)</td></tr>
94 <tr·class="separator:gaa84e6d848adb90d3b7014c41c6e6e8e9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:gaf917a1bc7e685f7ecd8acd6f901cf8d7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table>96 </table>
96 </div><!--·contents·-->97 </div><!--·contents·-->
97 <!--·start·footer·part·-->98 <!--·start·footer·part·-->
98 <hr·class="footer"/><address·class="footer"><small>99 <hr·class="footer"/><address·class="footer"><small>
99 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4100 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../de/d3d/a03515.html">List·of·all·members</a>··</div>71 <a·href="../../de/d3d/a03515.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·BALL::String·&gt;·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·BALL::String·&gt;·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d36/a01916_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:ae1717c4a85102067c912a120640635ab"><td·class="memItemLeft"·align="right"·valign="top">size_t&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d65/a03518.html#ae1717c4a85102067c912a120640635ab">operator()</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">BALL::String</a>·&amp;s)·const</td></tr>79 <tr·class="memitem:ae1717c4a85102067c912a120640635ab"><td·class="memItemLeft"·align="right"·valign="top">size_t&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d65/a03518.html#ae1717c4a85102067c912a120640635ab">operator()</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">BALL::String</a>·&amp;s)·const</td></tr>
80 <tr·class="separator:ae1717c4a85102067c912a120640635ab"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:ae1717c4a85102067c912a120640635ab"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 </table>81 </table>
82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock">83 <div·class="textblock">
84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d36/a01916_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d0/d36/a01916_source.html">hashMap.h</a>.</p>84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d5b/a00695_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d5/d5b/a00695_source.html">hashMap.h</a>.</p>
85 </div><h2·class="groupheader">Member·Function·Documentation</h2>85 </div><h2·class="groupheader">Member·Function·Documentation</h2>
86 <a·id="ae1717c4a85102067c912a120640635ab"·name="ae1717c4a85102067c912a120640635ab"></a>86 <a·id="ae1717c4a85102067c912a120640635ab"·name="ae1717c4a85102067c912a120640635ab"></a>
87 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1717c4a85102067c912a120640635ab">&#9670;&nbsp;</a></span>operator()()</h2>87 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1717c4a85102067c912a120640635ab">&#9670;&nbsp;</a></span>operator()()</h2>
  
88 <div·class="memitem">88 <div·class="memitem">
89 <div·class="memproto">89 <div·class="memproto">
90 <table·class="mlabels">90 <table·class="mlabels">
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104 ··</td>104 ··</td>
105 ··<td·class="mlabels-right">105 ··<td·class="mlabels-right">
106 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>106 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
107 ··</tr>107 ··</tr>
108 </table>108 </table>
109 </div><div·class="memdoc">109 </div><div·class="memdoc">
  
110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d36/a01916_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d0/d36/a01916_source.html">hashMap.h</a>.</p>110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d5b/a00695_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d5/d5b/a00695_source.html">hashMap.h</a>.</p>
  
111 </div>111 </div>
112 </div>112 </div>
113 </div><!--·contents·-->113 </div><!--·contents·-->
114 <!--·start·footer·part·-->114 <!--·start·footer·part·-->
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../db/d09/a03131.html">List·of·all·members</a>··</div>71 <a·href="../../db/d09/a03131.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Exception::ParseError·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::ParseError·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Exception::ParseError:</div>77 Inheritance·diagram·for·BALL::Exception::ParseError:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d7/d66/a03134.png"·usemap="#BALL::Exception::ParseError_map"·alt=""/>80 ··<img·src="../../d7/d66/a03134.png"·usemap="#BALL::Exception::ParseError_map"·alt=""/>
81 ··<map·id="BALL::Exception::ParseError_map"·name="BALL::Exception::ParseError_map">81 ··<map·id="BALL::Exception::ParseError_map"·name="BALL::Exception::ParseError_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>Parse·Error.·A·given·expression·could·not·be·parsed.·</p>136 <div·class="textblock"><p·>Parse·Error.·A·given·expression·could·not·be·parsed.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00386">386</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00386">386</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="ae7991ed785595db898248054b88a3490"·name="ae7991ed785595db898248054b88a3490"></a>139 <a·id="ae7991ed785595db898248054b88a3490"·name="ae7991ed785595db898248054b88a3490"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#ae7991ed785595db898248054b88a3490">&#9670;&nbsp;</a></span>ParseError()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#ae7991ed785595db898248054b88a3490">&#9670;&nbsp;</a></span>ParseError()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
142 <div·class="memproto">142 <div·class="memproto">
143 ······<table·class="memname">143 ······<table·class="memname">
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70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../d1/d2f/a06715.html">List·of·all·members</a>··</div>71 <a·href="../../d1/d2f/a06715.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::AStarBondOrderStrategy::Heuristic·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::AStarBondOrderStrategy::Heuristic·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d6/dfa/a00626_source.html">BALL/STRUCTURE/BONDORDERS/AStarBondOrderStrategy.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dd/d08/a01682_source.html">BALL/STRUCTURE/BONDORDERS/AStarBondOrderStrategy.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a20c5a0822612636f59ed72a9ceeeb3bc"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d66/a06718.html#a20c5a0822612636f59ed72a9ceeeb3bc">SIMPLE</a></td></tr>79 <tr·class="memitem:a20c5a0822612636f59ed72a9ceeeb3bc"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d66/a06718.html#a20c5a0822612636f59ed72a9ceeeb3bc">SIMPLE</a></td></tr>
80 <tr·class="separator:a20c5a0822612636f59ed72a9ceeeb3bc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a20c5a0822612636f59ed72a9ceeeb3bc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a6039d93445304edde8eef9edf045a9ae"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d66/a06718.html#a6039d93445304edde8eef9edf045a9ae">MEDIUM</a></td></tr>81 <tr·class="memitem:a6039d93445304edde8eef9edf045a9ae"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d66/a06718.html#a6039d93445304edde8eef9edf045a9ae">MEDIUM</a></td></tr>
82 <tr·class="separator:a6039d93445304edde8eef9edf045a9ae"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a6039d93445304edde8eef9edf045a9ae"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a93345ce65f6ca9dfab90f17b82dceedc"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d66/a06718.html#a93345ce65f6ca9dfab90f17b82dceedc">TIGHT</a></td></tr>83 <tr·class="memitem:a93345ce65f6ca9dfab90f17b82dceedc"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d66/a06718.html#a93345ce65f6ca9dfab90f17b82dceedc">TIGHT</a></td></tr>
84 <tr·class="separator:a93345ce65f6ca9dfab90f17b82dceedc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a93345ce65f6ca9dfab90f17b82dceedc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock">87 <div·class="textblock">
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfa/a00626_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d6/dfa/a00626_source.html">AStarBondOrderStrategy.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">AStarBondOrderStrategy.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="a6039d93445304edde8eef9edf045a9ae"·name="a6039d93445304edde8eef9edf045a9ae"></a>90 <a·id="a6039d93445304edde8eef9edf045a9ae"·name="a6039d93445304edde8eef9edf045a9ae"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#a6039d93445304edde8eef9edf045a9ae">&#9670;&nbsp;</a></span>MEDIUM</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#a6039d93445304edde8eef9edf045a9ae">&#9670;&nbsp;</a></span>MEDIUM</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
93 <div·class="memproto">93 <div·class="memproto">
94 <table·class="mlabels">94 <table·class="mlabels">
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104 ··</td>104 ··</td>
105 ··<td·class="mlabels-right">105 ··<td·class="mlabels-right">
106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
107 ··</tr>107 ··</tr>
108 </table>108 </table>
109 </div><div·class="memdoc">109 </div><div·class="memdoc">
  
110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfa/a00626_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d6/dfa/a00626_source.html">AStarBondOrderStrategy.h</a>.</p>110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">AStarBondOrderStrategy.h</a>.</p>
  
111 </div>111 </div>
112 </div>112 </div>
113 <a·id="a20c5a0822612636f59ed72a9ceeeb3bc"·name="a20c5a0822612636f59ed72a9ceeeb3bc"></a>113 <a·id="a20c5a0822612636f59ed72a9ceeeb3bc"·name="a20c5a0822612636f59ed72a9ceeeb3bc"></a>
114 <h2·class="memtitle"><span·class="permalink"><a·href="#a20c5a0822612636f59ed72a9ceeeb3bc">&#9670;&nbsp;</a></span>SIMPLE</h2>114 <h2·class="memtitle"><span·class="permalink"><a·href="#a20c5a0822612636f59ed72a9ceeeb3bc">&#9670;&nbsp;</a></span>SIMPLE</h2>
  
115 <div·class="memitem">115 <div·class="memitem">
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128 ··</td>128 ··</td>
129 ··<td·class="mlabels-right">129 ··<td·class="mlabels-right">
130 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>130 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
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72 ··<div·class="headertitle"><div·class="title">BALL::Exception::RingProcessorException·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::RingProcessorException·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d2/dea/a02057_source.html">BALL/QSAR/ringPerceptionProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d29/a00419_source.html">BALL/QSAR/ringPerceptionProcessor.h</a>&gt;</code></p>
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138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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71 ··<div·class="headertitle"><div·class="title">pairExpInteractionEnergyProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">kekulizer.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;set&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d7/d62/a01805_source.html">BALL/MATHS/surface.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/ENERGY/energyProcessor.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../dc/df1/a00662_source.html">BALL/STRUCTURE/RDFParameter.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;<a·class="el"·href="../../de/dc3/a01787_source.html">BALL/SOLVATION/pairExpRDFIntegrator.h</a>&gt;</code><br·/> 
81 <code>#include·&lt;<a·class="el"·href="../../d0/d9d/a01760_source.html">BALL/SOLVATION/solventDescriptor.h</a>&gt;</code><br·/> 
82 </div>77 </div>
83 <p><a·href="../../d7/d6d/a01769_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d7/d6d/a01769_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">79 <table·class="memberdecls">
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72 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::Option·Struct·Reference</div></div>
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75 <p><a·class="el"·href="../../d7/d6d/a06746.html"·title="Option·names.">Option</a>·names.··75 <p><a·class="el"·href="../../d7/d6d/a06746.html"·title="Option·names.">Option</a>·names.··
76 ·<a·href="../../d7/d6d/a06746.html#details">More...</a></p>76 ·<a·href="../../d7/d6d/a06746.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d4/d2a/a00632_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8e/a01694_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>
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82 <tr·class="separator:a7ca6e420cf2e09776b9f446e57d7468c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a7ca6e420cf2e09776b9f446e57d7468c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock"><p·><a·class="el"·href="../../d7/d6d/a06746.html"·title="Option·names.">Option</a>·names.·</p>85 <div·class="textblock"><p·><a·class="el"·href="../../d7/d6d/a06746.html"·title="Option·names.">Option</a>·names.·</p>
  
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00157">157</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00157">157</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="a7ca6e420cf2e09776b9f446e57d7468c"·name="a7ca6e420cf2e09776b9f446e57d7468c"></a>88 <a·id="a7ca6e420cf2e09776b9f446e57d7468c"·name="a7ca6e420cf2e09776b9f446e57d7468c"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ca6e420cf2e09776b9f446e57d7468c">&#9670;&nbsp;</a></span>UPPER_PENALTY_BOUND</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ca6e420cf2e09776b9f446e57d7468c">&#9670;&nbsp;</a></span>UPPER_PENALTY_BOUND</h2>
  
90 <div·class="memitem">90 <div·class="memitem">
91 <div·class="memproto">91 <div·class="memproto">
92 <table·class="mlabels">92 <table·class="mlabels">
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105 ··<td·class="mlabels-right">105 ··<td·class="mlabels-right">
106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
107 ··</tr>107 ··</tr>
108 </table>108 </table>
109 </div><div·class="memdoc">109 </div><div·class="memdoc">
110 <p·>The·maximum·penalty·for·which·this·FPT·strategy·will·compute·solutions.·Setting·this·to·a·value·different·from·infinite_penalty·can·significantly·speed·up·the·computation.·</p>110 <p·>The·maximum·penalty·for·which·this·FPT·strategy·will·compute·solutions.·Setting·this·to·a·value·different·from·infinite_penalty·can·significantly·speed·up·the·computation.·</p>
  
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
112 </div>112 </div>
113 </div>113 </div>
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116 <hr·class="footer"/><address·class="footer"><small>116 <hr·class="footer"/><address·class="footer"><small>
117 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4117 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d8/d58/a05691.html">List·of·all·members</a>··</div>71 <a·href="../../d8/d58/a05691.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::NoPCAVariance·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::NoPCAVariance·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/d51/a20335_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::QSAR::Exception::NoPCAVariance:</div>77 Inheritance·diagram·for·BALL::QSAR::Exception::NoPCAVariance:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d7/d70/a05694.png"·usemap="#BALL::QSAR::Exception::NoPCAVariance_map"·alt=""/>80 ··<img·src="../../d7/d70/a05694.png"·usemap="#BALL::QSAR::Exception::NoPCAVariance_map"·alt=""/>
81 ··<map·id="BALL::QSAR::Exception::NoPCAVariance_map"·name="BALL::QSAR::Exception::NoPCAVariance_map">81 ··<map·id="BALL::QSAR::Exception::NoPCAVariance_map"·name="BALL::QSAR::Exception::NoPCAVariance_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,245,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,245,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>No·variance·present·to·be·explained·by·PCA,·so·that·PCR·can·not·be·done·</p>136 <div·class="textblock"><p·>No·variance·present·to·be·explained·by·PCA,·so·that·PCR·can·not·be·done·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d51/a20335_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../db/d51/a20335_source.html">QSAR/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="a244f23a2184b2d2bae0b71ffac929f85"·name="a244f23a2184b2d2bae0b71ffac929f85"></a>139 <a·id="a244f23a2184b2d2bae0b71ffac929f85"·name="a244f23a2184b2d2bae0b71ffac929f85"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a244f23a2184b2d2bae0b71ffac929f85">&#9670;&nbsp;</a></span>NoPCAVariance()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a244f23a2184b2d2bae0b71ffac929f85">&#9670;&nbsp;</a></span>NoPCAVariance()</h2>
  
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../df/d59/a04343.html">List·of·all·members</a>··</div>71 <a·href="../../df/d59/a04343.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordSOURCE·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordSOURCE·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a394fdd725818d00fd766534c9d3fcb33"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d74/a04346.html#a394fdd725818d00fd766534c9d3fcb33">record_type</a></td></tr>79 <tr·class="memitem:a394fdd725818d00fd766534c9d3fcb33"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d74/a04346.html#a394fdd725818d00fd766534c9d3fcb33">record_type</a></td></tr>
80 <tr·class="separator:a394fdd725818d00fd766534c9d3fcb33"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a394fdd725818d00fd766534c9d3fcb33"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a9a72738a0efb37dd467800b7db61537d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d74/a04346.html#a9a72738a0efb37dd467800b7db61537d">record_name</a></td></tr>81 <tr·class="memitem:a9a72738a0efb37dd467800b7db61537d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d74/a04346.html#a9a72738a0efb37dd467800b7db61537d">record_name</a></td></tr>
82 <tr·class="separator:a9a72738a0efb37dd467800b7db61537d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a9a72738a0efb37dd467800b7db61537d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a768a60456976d0dcb595937d00b251e3"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a0cbac9ad1d23edeb1571c578d3c692ba">Continuation</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d74/a04346.html#a768a60456976d0dcb595937d00b251e3">continuation</a></td></tr>83 <tr·class="memitem:a768a60456976d0dcb595937d00b251e3"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a0cbac9ad1d23edeb1571c578d3c692ba">Continuation</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d74/a04346.html#a768a60456976d0dcb595937d00b251e3">continuation</a></td></tr>
84 <tr·class="separator:a768a60456976d0dcb595937d00b251e3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a768a60456976d0dcb595937d00b251e3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 <tr·class="memitem:a4ad177eb17a4e0c65d3ad2e070bf779c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ad07c62925076d318559a0cb344eb9d72">SpecificationList</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d74/a04346.html#a4ad177eb17a4e0c65d3ad2e070bf779c">sources</a></td></tr>85 <tr·class="memitem:a4ad177eb17a4e0c65d3ad2e070bf779c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ad07c62925076d318559a0cb344eb9d72">SpecificationList</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d74/a04346.html#a4ad177eb17a4e0c65d3ad2e070bf779c">sources</a></td></tr>
86 <tr·class="separator:a4ad177eb17a4e0c65d3ad2e070bf779c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:a4ad177eb17a4e0c65d3ad2e070bf779c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table>87 </table>
88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
89 <div·class="textblock">89 <div·class="textblock">
90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l01108">1108</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01108">1108</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
91 </div><h2·class="groupheader">Member·Data·Documentation</h2>91 </div><h2·class="groupheader">Member·Data·Documentation</h2>
92 <a·id="a768a60456976d0dcb595937d00b251e3"·name="a768a60456976d0dcb595937d00b251e3"></a>92 <a·id="a768a60456976d0dcb595937d00b251e3"·name="a768a60456976d0dcb595937d00b251e3"></a>
93 <h2·class="memtitle"><span·class="permalink"><a·href="#a768a60456976d0dcb595937d00b251e3">&#9670;&nbsp;</a></span>continuation</h2>93 <h2·class="memtitle"><span·class="permalink"><a·href="#a768a60456976d0dcb595937d00b251e3">&#9670;&nbsp;</a></span>continuation</h2>
  
94 <div·class="memitem">94 <div·class="memitem">
95 <div·class="memproto">95 <div·class="memproto">
96 ······<table·class="memname">96 ······<table·class="memname">
97 ········<tr>97 ········<tr>
98 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a0cbac9ad1d23edeb1571c578d3c692ba">Continuation</a>·BALL::PDB::RecordSOURCE::continuation</td>98 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a0cbac9ad1d23edeb1571c578d3c692ba">Continuation</a>·BALL::PDB::RecordSOURCE::continuation</td>
99 ········</tr>99 ········</tr>
100 ······</table>100 ······</table>
101 </div><div·class="memdoc">101 </div><div·class="memdoc">
  
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l01112">1112</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01112">1112</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
103 </div>103 </div>
104 </div>104 </div>
105 <a·id="a9a72738a0efb37dd467800b7db61537d"·name="a9a72738a0efb37dd467800b7db61537d"></a>105 <a·id="a9a72738a0efb37dd467800b7db61537d"·name="a9a72738a0efb37dd467800b7db61537d"></a>
106 <h2·class="memtitle"><span·class="permalink"><a·href="#a9a72738a0efb37dd467800b7db61537d">&#9670;&nbsp;</a></span>record_name</h2>106 <h2·class="memtitle"><span·class="permalink"><a·href="#a9a72738a0efb37dd467800b7db61537d">&#9670;&nbsp;</a></span>record_name</h2>
  
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116 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordSOURCE::record_name</td>116 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordSOURCE::record_name</td>
117 ········</tr>117 ········</tr>
118 ······</table>118 ······</table>
119 </div><div·class="memdoc">119 </div><div·class="memdoc">
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l01111">1111</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01111">1111</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
121 </div>121 </div>
122 </div>122 </div>
123 <a·id="a394fdd725818d00fd766534c9d3fcb33"·name="a394fdd725818d00fd766534c9d3fcb33"></a>123 <a·id="a394fdd725818d00fd766534c9d3fcb33"·name="a394fdd725818d00fd766534c9d3fcb33"></a>
124 <h2·class="memtitle"><span·class="permalink"><a·href="#a394fdd725818d00fd766534c9d3fcb33">&#9670;&nbsp;</a></span>record_type</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#a394fdd725818d00fd766534c9d3fcb33">&#9670;&nbsp;</a></span>record_type</h2>
  
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../d7/d88/a03771.html">List·of·all·members</a>··</div>72 <a·href="../../d7/d88/a03771.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::DoubleParameter·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::DoubleParameter·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/ddf/a00488_source.html">BALL/DOCKING/GENETICDOCK/parameter.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d7/def/a01538_source.html">BALL/DOCKING/GENETICDOCK/parameter.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::DoubleParameter:</div>78 Inheritance·diagram·for·BALL::DoubleParameter:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d7/d82/a03774.png"·usemap="#BALL::DoubleParameter_map"·alt=""/>81 ··<img·src="../../d7/d82/a03774.png"·usemap="#BALL::DoubleParameter_map"·alt=""/>
82 ··<map·id="BALL::DoubleParameter_map"·name="BALL::DoubleParameter_map">82 ··<map·id="BALL::DoubleParameter_map"·name="BALL::DoubleParameter_map">
83 <area·href="../../d2/d33/a03770.html"·alt="BALL::GenericParameter"·shape="rect"·coords="0,0,152,24"/>83 <area·href="../../d2/d33/a03770.html"·alt="BALL::GenericParameter"·shape="rect"·coords="0,0,152,24"/>
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116 Additional·Inherited·Members</h2></td></tr>116 Additional·Inherited·Members</h2></td></tr>
117 <tr·class="inherit_header·pro_attribs_a03770"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a03770')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d2/d33/a03770.html">BALL::GenericParameter</a></td></tr>117 <tr·class="inherit_header·pro_attribs_a03770"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a03770')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d2/d33/a03770.html">BALL::GenericParameter</a></td></tr>
118 <tr·class="memitem:a6723a926ebe945181678106eedb24317·inherit·pro_attribs_a03770"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d33/a03770.html#a6723a926ebe945181678106eedb24317">name_</a></td></tr>118 <tr·class="memitem:a6723a926ebe945181678106eedb24317·inherit·pro_attribs_a03770"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d33/a03770.html#a6723a926ebe945181678106eedb24317">name_</a></td></tr>
119 <tr·class="separator:a6723a926ebe945181678106eedb24317·inherit·pro_attribs_a03770"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a6723a926ebe945181678106eedb24317·inherit·pro_attribs_a03770"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock">122 <div·class="textblock">
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/ddf/a00488_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d4/ddf/a00488_source.html">parameter.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">parameter.h</a>.</p>
124 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>124 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
125 <a·id="ab331ceda582241419615e88e868c019b"·name="ab331ceda582241419615e88e868c019b"></a>125 <a·id="ab331ceda582241419615e88e868c019b"·name="ab331ceda582241419615e88e868c019b"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#ab331ceda582241419615e88e868c019b">&#9670;&nbsp;</a></span>DoubleParameter()·<span·class="overload">[1/2]</span></h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#ab331ceda582241419615e88e868c019b">&#9670;&nbsp;</a></span>DoubleParameter()·<span·class="overload">[1/2]</span></h2>
  
127 <div·class="memitem">127 <div·class="memitem">
128 <div·class="memproto">128 <div·class="memproto">
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216 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::DoubleParameter::values</td>216 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::DoubleParameter::values</td>
217 ········</tr>217 ········</tr>
218 ······</table>218 ······</table>
219 </div><div·class="memdoc">219 </div><div·class="memdoc">
220 <p·>parameter·values·</p>220 <p·>parameter·values·</p>
  
221 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/ddf/a00488_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../d4/ddf/a00488_source.html">parameter.h</a>.</p>221 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">parameter.h</a>.</p>
  
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../dd/da8/a07331.html">List·of·all·members</a>··</div>70 <a·href="../../dd/da8/a07331.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::UCK·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::UCK·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../de/dde/a00587_source.html">BALL/STRUCTURE/UCK.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../de/db5/a01730_source.html">BALL/STRUCTURE/UCK.h</a>&gt;</code></p>
75 <table·class="memberdecls">75 <table·class="memberdecls">
76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Type·definitions</h2></td></tr>76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Type·definitions</h2></td></tr>
77 <tr·class="memitem:a14b0b8138cb95a629d93216c8114af94"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::vector&lt;·std::pair&lt;·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d82/a07334.html#a14b0b8138cb95a629d93216c8114af94">PairVector</a></td></tr>77 <tr·class="memitem:a14b0b8138cb95a629d93216c8114af94"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::vector&lt;·std::pair&lt;·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d82/a07334.html#a14b0b8138cb95a629d93216c8114af94">PairVector</a></td></tr>
78 <tr·class="separator:a14b0b8138cb95a629d93216c8114af94"><td·class="memSeparator"·colspan="2">&#160;</td></tr>78 <tr·class="separator:a14b0b8138cb95a629d93216c8114af94"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
79 <tr·class="memitem:a228eb7519ec1201561a404bf4b318e9f"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::vector&lt;·std::vector&lt;·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d82/a07334.html#a228eb7519ec1201561a404bf4b318e9f">SizeVector</a></td></tr>79 <tr·class="memitem:a228eb7519ec1201561a404bf4b318e9f"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::vector&lt;·std::vector&lt;·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d82/a07334.html#a228eb7519ec1201561a404bf4b318e9f">SizeVector</a></td></tr>
80 <tr·class="separator:a228eb7519ec1201561a404bf4b318e9f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a228eb7519ec1201561a404bf4b318e9f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a8dcbc6d85689a2fa108d9198ad8b5dac"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d82/a07334.html#a8dcbc6d85689a2fa108d9198ad8b5dac">UCK</a>·()</td></tr>81 <tr·class="memitem:a8dcbc6d85689a2fa108d9198ad8b5dac"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d82/a07334.html#a8dcbc6d85689a2fa108d9198ad8b5dac">UCK</a>·()</td></tr>
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101 <tr·class="separator:a4bc4bad744ec5701cca28c95de1df08b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>101 <tr·class="separator:a4bc4bad744ec5701cca28c95de1df08b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 <tr·class="memitem:a5f0afa02271a48553543ce8af048f899"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d82/a07334.html#a5f0afa02271a48553543ce8af048f899">getWeight</a>·()</td></tr>102 <tr·class="memitem:a5f0afa02271a48553543ce8af048f899"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d82/a07334.html#a5f0afa02271a48553543ce8af048f899">getWeight</a>·()</td></tr>
103 <tr·class="separator:a5f0afa02271a48553543ce8af048f899"><td·class="memSeparator"·colspan="2">&#160;</td></tr>103 <tr·class="separator:a5f0afa02271a48553543ce8af048f899"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
104 </table>104 </table>
105 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>105 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
106 <div·class="textblock"><p·>Unique·Chemical·Key.·Implements·the·<a·class="el"·href="../../d7/d82/a07334.html">UCK</a>·algorithm·for·computing·a·unique·key·for·a·given·chemical·structure.·</p>106 <div·class="textblock"><p·>Unique·Chemical·Key.·Implements·the·<a·class="el"·href="../../d7/d82/a07334.html">UCK</a>·algorithm·for·computing·a·unique·key·for·a·given·chemical·structure.·</p>
  
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dde/a00587_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../de/dde/a00587_source.html">UCK.h</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">UCK.h</a>.</p>
108 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>108 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
109 <a·id="a14b0b8138cb95a629d93216c8114af94"·name="a14b0b8138cb95a629d93216c8114af94"></a>109 <a·id="a14b0b8138cb95a629d93216c8114af94"·name="a14b0b8138cb95a629d93216c8114af94"></a>
110 <h2·class="memtitle"><span·class="permalink"><a·href="#a14b0b8138cb95a629d93216c8114af94">&#9670;&nbsp;</a></span>PairVector</h2>110 <h2·class="memtitle"><span·class="permalink"><a·href="#a14b0b8138cb95a629d93216c8114af94">&#9670;&nbsp;</a></span>PairVector</h2>
  
111 <div·class="memitem">111 <div·class="memitem">
112 <div·class="memproto">112 <div·class="memproto">
113 ······<table·class="memname">113 ······<table·class="memname">
114 ········<tr>114 ········<tr>
115 ··········<td·class="memname">typedef·std::vector&lt;std::pair&lt;<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&gt;·&gt;·<a·class="el"·href="../../d7/d82/a07334.html#a14b0b8138cb95a629d93216c8114af94">BALL::UCK::PairVector</a></td>115 ··········<td·class="memname">typedef·std::vector&lt;std::pair&lt;<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&gt;·&gt;·<a·class="el"·href="../../d7/d82/a07334.html#a14b0b8138cb95a629d93216c8114af94">BALL::UCK::PairVector</a></td>
116 ········</tr>116 ········</tr>
117 ······</table>117 ······</table>
118 </div><div·class="memdoc">118 </div><div·class="memdoc">
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dde/a00587_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../de/dde/a00587_source.html">UCK.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">UCK.h</a>.</p>
  
120 </div>120 </div>
121 </div>121 </div>
122 <a·id="a228eb7519ec1201561a404bf4b318e9f"·name="a228eb7519ec1201561a404bf4b318e9f"></a>122 <a·id="a228eb7519ec1201561a404bf4b318e9f"·name="a228eb7519ec1201561a404bf4b318e9f"></a>
123 <h2·class="memtitle"><span·class="permalink"><a·href="#a228eb7519ec1201561a404bf4b318e9f">&#9670;&nbsp;</a></span>SizeVector</h2>123 <h2·class="memtitle"><span·class="permalink"><a·href="#a228eb7519ec1201561a404bf4b318e9f">&#9670;&nbsp;</a></span>SizeVector</h2>
  
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133 ··········<td·class="memname">typedef·std::vector&lt;std::vector&lt;<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&gt;·&gt;·<a·class="el"·href="../../d7/d82/a07334.html#a228eb7519ec1201561a404bf4b318e9f">BALL::UCK::SizeVector</a></td>133 ··········<td·class="memname">typedef·std::vector&lt;std::vector&lt;<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&gt;·&gt;·<a·class="el"·href="../../d7/d82/a07334.html#a228eb7519ec1201561a404bf4b318e9f">BALL::UCK::SizeVector</a></td>
134 ········</tr>134 ········</tr>
135 ······</table>135 ······</table>
136 </div><div·class="memdoc">136 </div><div·class="memdoc">
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dde/a00587_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../de/dde/a00587_source.html">UCK.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">UCK.h</a>.</p>
  
138 </div>138 </div>
139 </div>139 </div>
140 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>140 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
141 <a·id="a8dcbc6d85689a2fa108d9198ad8b5dac"·name="a8dcbc6d85689a2fa108d9198ad8b5dac"></a>141 <a·id="a8dcbc6d85689a2fa108d9198ad8b5dac"·name="a8dcbc6d85689a2fa108d9198ad8b5dac"></a>
142 <h2·class="memtitle"><span·class="permalink"><a·href="#a8dcbc6d85689a2fa108d9198ad8b5dac">&#9670;&nbsp;</a></span>UCK()·<span·class="overload">[1/4]</span></h2>142 <h2·class="memtitle"><span·class="permalink"><a·href="#a8dcbc6d85689a2fa108d9198ad8b5dac">&#9670;&nbsp;</a></span>UCK()·<span·class="overload">[1/4]</span></h2>
  
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d4/d4f/a07623.html">List·of·all·members</a>··</div>70 <a·href="../../d4/d4f/a07623.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::LabelDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::LabelDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d4/dd1/a01334_source.html">BALL/VIEW/DIALOGS/labelDialog.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d8/d0d/a01280_source.html">BALL/VIEW/DIALOGS/labelDialog.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::LabelDialog:</div>76 Inheritance·diagram·for·BALL::VIEW::LabelDialog:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d7/d8d/a07626.png"·usemap="#BALL::VIEW::LabelDialog_map"·alt=""/>79 ··<img·src="../../d7/d8d/a07626.png"·usemap="#BALL::VIEW::LabelDialog_map"·alt=""/>
80 ··<map·id="BALL::VIEW::LabelDialog_map"·name="BALL::VIEW::LabelDialog_map">80 ··<map·id="BALL::VIEW::LabelDialog_map"·name="BALL::VIEW::LabelDialog_map">
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267 </table>267 </table>
268 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>268 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
269 <div·class="textblock"><p·>Dialog·for·creating·labels·for·a·selection·of·molecular·objects.·The·class·<a·class="el"·href="../../d5/db3/a08442.html">MolecularControl</a>·is·responsible·for·creating·such·a·selection.·The·text,·color·and·font·of·the·labels·can·be·changed.·If·this·dialog·is·used,·it·should·be·created·with·<a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>·as·parent.·</p>269 <div·class="textblock"><p·>Dialog·for·creating·labels·for·a·selection·of·molecular·objects.·The·class·<a·class="el"·href="../../d5/db3/a08442.html">MolecularControl</a>·is·responsible·for·creating·such·a·selection.·The·text,·color·and·font·of·the·labels·can·be·changed.·If·this·dialog·is·used,·it·should·be·created·with·<a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>·as·parent.·</p>
  
270 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd1/a01334_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d4/dd1/a01334_source.html">labelDialog.h</a>.</p>270 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d0d/a01280_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d8/d0d/a01280_source.html">labelDialog.h</a>.</p>
271 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>271 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
272 <a·id="acabc4aead69064c21fcc3bc3278ce30f"·name="acabc4aead69064c21fcc3bc3278ce30f"></a>272 <a·id="acabc4aead69064c21fcc3bc3278ce30f"·name="acabc4aead69064c21fcc3bc3278ce30f"></a>
273 <h2·class="memtitle"><span·class="permalink"><a·href="#acabc4aead69064c21fcc3bc3278ce30f">&#9670;&nbsp;</a></span>LabelDialog()</h2>273 <h2·class="memtitle"><span·class="permalink"><a·href="#acabc4aead69064c21fcc3bc3278ce30f">&#9670;&nbsp;</a></span>LabelDialog()</h2>
  
274 <div·class="memitem">274 <div·class="memitem">
275 <div·class="memproto">275 <div·class="memproto">
276 ······<table·class="memname">276 ······<table·class="memname">
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744 ··</tr>744 ··</tr>
745 </table>745 </table>
746 </div><div·class="memdoc">746 </div><div·class="memdoc">
  
747 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd1/a01334_source.html#l00166">166</a>·of·file·<a·class="el"·href="../../d4/dd1/a01334_source.html">labelDialog.h</a>.</p>747 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d0d/a01280_source.html#l00166">166</a>·of·file·<a·class="el"·href="../../d8/d0d/a01280_source.html">labelDialog.h</a>.</p>
  
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765 ··</td>765 ··</td>
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768 ··</tr>768 ··</tr>
769 </table>769 </table>
770 </div><div·class="memdoc">770 </div><div·class="memdoc">
  
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772 </div>772 </div>
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775 <h2·class="memtitle"><span·class="permalink"><a·href="#acceffc055137122b0f31f00e81806e2a">&#9670;&nbsp;</a></span>id_</h2>775 <h2·class="memtitle"><span·class="permalink"><a·href="#acceffc055137122b0f31f00e81806e2a">&#9670;&nbsp;</a></span>id_</h2>
  
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">periodicBoundary.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">parameterSection.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d6/dbd/a01829_source.html">BALL/MATHS/simpleBox3.h</a>&gt;</code><br·/> 
77 </div>75 </div>
78 <p><a·href="../../d7/d92/a00887_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d7/d92/a00887_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">77 <table·class="memberdecls">
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83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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87 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../dc/d78/a05094.html"·title="Default·values.">Default</a>·values.··<a·href="../../dc/d78/a05094.html#details">More...</a><br·/></td></tr> 
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68 ··<div·class="headertitle"><div·class="title">maths.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">HINFile.h·File·Reference</div></div>
69 </div><!--header-->72 </div><!--header-->
70 <div·class="contents">73 <div·class="contents">
71 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/dbd/a01844_source.html">BALL/MATHS/analyticalGeometry.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>
72 <code>#include·&lt;<a·class="el"·href="../../dd/ddc/a01802_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../dd/dd7/a00248_source.html">BALL/MATHS/simpleBox3.h</a>&gt;</code><br·/>
73 <code>#include·&lt;<a·class="el"·href="../../dc/d06/a01832_source.html">BALL/MATHS/box3.h</a>&gt;</code><br·/> 
74 <code>#include·&lt;<a·class="el"·href="../../d7/d02/a01808_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../d4/d29/a01817_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/> 
76 </div>76 </div>
77 <p><a·href="../../d7/d98/a00983_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d7/d98/a00983_source.html">Go·to·the·source·code·of·this·file.</a></p>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">simpleBase.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">PLPScoring.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d9b/a02039_source.html">BALL/QSAR/descriptor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d4/d3e/a00116_source.html">BALL/MOLMEC/MMFF94/MMFF94.h</a>&gt;</code><br·/>
75 </div>76 </div>
76 <p><a·href="../../d7/d98/a02003_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d7/d98/a02003_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">78 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>80 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d43/a05870.html">BALL::SimpleBase</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d70/a06410.html">BALL::PLPScoring</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
84 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
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86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../db/db8/a03471.html">List·of·all·members</a>··</div>72 <a·href="../../db/db8/a03471.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::MinorMinWidthCriterion·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::MinorMinWidthCriterion·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../de/dca/a01907_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:afee4d64e9c22c458a232010176fe8340"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/da0/a03474.html#afee4d64e9c22c458a232010176fe8340">MinorMinWidthCriterion</a>·(UndirectedGraph·const·&amp;graph)</td></tr>80 <tr·class="memitem:afee4d64e9c22c458a232010176fe8340"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/da0/a03474.html#afee4d64e9c22c458a232010176fe8340">MinorMinWidthCriterion</a>·(UndirectedGraph·const·&amp;graph)</td></tr>
81 <tr·class="separator:afee4d64e9c22c458a232010176fe8340"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:afee4d64e9c22c458a232010176fe8340"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:a5aa8fbb50635c43b3c9ef4281c2f8715"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/da0/a03474.html#a5aa8fbb50635c43b3c9ef4281c2f8715">operator()</a>·(<a·class="el"·href="../../d1/d82/a03450.html#aebe8dceb082f270b5debac27024464a4">VertexType</a>·&amp;vertex)·const</td></tr>82 <tr·class="memitem:a5aa8fbb50635c43b3c9ef4281c2f8715"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/da0/a03474.html#a5aa8fbb50635c43b3c9ef4281c2f8715">operator()</a>·(<a·class="el"·href="../../d1/d82/a03450.html#aebe8dceb082f270b5debac27024464a4">VertexType</a>·&amp;vertex)·const</td></tr>
83 <tr·class="separator:a5aa8fbb50635c43b3c9ef4281c2f8715"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:a5aa8fbb50635c43b3c9ef4281c2f8715"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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88 <tr·class="memitem:a0f041a64c4731dfe3ace0bcff257091d"><td·class="memItemLeft"·align="right"·valign="top">UndirectedGraph·const··&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/da0/a03474.html#a0f041a64c4731dfe3ace0bcff257091d">graph_</a></td></tr>88 <tr·class="memitem:a0f041a64c4731dfe3ace0bcff257091d"><td·class="memItemLeft"·align="right"·valign="top">UndirectedGraph·const··&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/da0/a03474.html#a0f041a64c4731dfe3ace0bcff257091d">graph_</a></td></tr>
89 <tr·class="separator:a0f041a64c4731dfe3ace0bcff257091d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a0f041a64c4731dfe3ace0bcff257091d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·UndirectedGraph&gt;<br·/>92 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·UndirectedGraph&gt;<br·/>
93 class·BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::MinorMinWidthCriterion</div><p·>search·for·a·vertex·with·minimum·degree·</p>93 class·BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::MinorMinWidthCriterion</div><p·>search·for·a·vertex·with·minimum·degree·</p>
  
94 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00234">234</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">treeWidth.h</a>.</p>94 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00234">234</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
95 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>95 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
96 <a·id="afee4d64e9c22c458a232010176fe8340"·name="afee4d64e9c22c458a232010176fe8340"></a>96 <a·id="afee4d64e9c22c458a232010176fe8340"·name="afee4d64e9c22c458a232010176fe8340"></a>
97 <h2·class="memtitle"><span·class="permalink"><a·href="#afee4d64e9c22c458a232010176fe8340">&#9670;&nbsp;</a></span>MinorMinWidthCriterion()</h2>97 <h2·class="memtitle"><span·class="permalink"><a·href="#afee4d64e9c22c458a232010176fe8340">&#9670;&nbsp;</a></span>MinorMinWidthCriterion()</h2>
  
98 <div·class="memitem">98 <div·class="memitem">
99 <div·class="memproto">99 <div·class="memproto">
100 <div·class="memtemplate">100 <div·class="memtemplate">
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154 ··</td>154 ··</td>
155 ··<td·class="mlabels-right">155 ··<td·class="mlabels-right">
156 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>156 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
157 ··</tr>157 ··</tr>
158 </table>158 </table>
159 </div><div·class="memdoc">159 </div><div·class="memdoc">
  
160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00242">242</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">treeWidth.h</a>.</p>160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00242">242</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
161 </div>161 </div>
162 </div>162 </div>
163 </div><!--·contents·-->163 </div><!--·contents·-->
164 <!--·start·footer·part·-->164 <!--·start·footer·part·-->
165 <hr·class="footer"/><address·class="footer"><small>165 <hr·class="footer"/><address·class="footer"><small>
166 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4166 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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125 ··········<td·class="memname">typedef·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·<a·class="el"·href="../../d7/da1/a02231.html#ad271ac1abf8bdbc4f45586bb2d73ecfd">BALL::Peptides::OneLetterAASequence</a></td>125 ··········<td·class="memname">typedef·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·<a·class="el"·href="../../d7/da1/a02231.html#ad271ac1abf8bdbc4f45586bb2d73ecfd">BALL::Peptides::OneLetterAASequence</a></td>
126 ········</tr>126 ········</tr>
127 ······</table>127 ······</table>
128 </div><div·class="memdoc">128 </div><div·class="memdoc">
  
129 <p>An·amino·acid·sequence·in·one-letter·code.·</p>129 <p>An·amino·acid·sequence·in·one-letter·code.·</p>
  
130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d0a/a00743_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d0/d0a/a00743_source.html">peptides.h</a>.</p>130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d45/a01826_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d2/d45/a01826_source.html">peptides.h</a>.</p>
  
131 </div>131 </div>
132 </div>132 </div>
133 <a·id="a537847ff28dc6e2a0269224acb256429"·name="a537847ff28dc6e2a0269224acb256429"></a>133 <a·id="a537847ff28dc6e2a0269224acb256429"·name="a537847ff28dc6e2a0269224acb256429"></a>
134 <h2·class="memtitle"><span·class="permalink"><a·href="#a537847ff28dc6e2a0269224acb256429">&#9670;&nbsp;</a></span>ThreeLetterAASequence</h2>134 <h2·class="memtitle"><span·class="permalink"><a·href="#a537847ff28dc6e2a0269224acb256429">&#9670;&nbsp;</a></span>ThreeLetterAASequence</h2>
  
135 <div·class="memitem">135 <div·class="memitem">
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143 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>&gt;·<a·class="el"·href="../../d7/da1/a02231.html#a537847ff28dc6e2a0269224acb256429">BALL::Peptides::ThreeLetterAASequence</a></td>143 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>&gt;·<a·class="el"·href="../../d7/da1/a02231.html#a537847ff28dc6e2a0269224acb256429">BALL::Peptides::ThreeLetterAASequence</a></td>
144 ········</tr>144 ········</tr>
145 ······</table>145 ······</table>
146 </div><div·class="memdoc">146 </div><div·class="memdoc">
  
147 <p>An·amino·acid·sequence·in·three-letter·code.·</p>147 <p>An·amino·acid·sequence·in·three-letter·code.·</p>
  
148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d0a/a00743_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d0/d0a/a00743_source.html">peptides.h</a>.</p>148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d45/a01826_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d2/d45/a01826_source.html">peptides.h</a>.</p>
  
149 </div>149 </div>
150 </div>150 </div>
151 <h2·class="groupheader">Function·Documentation</h2>151 <h2·class="groupheader">Function·Documentation</h2>
152 <a·id="a586d28df47b308cda1548fa68ecc2eee"·name="a586d28df47b308cda1548fa68ecc2eee"></a>152 <a·id="a586d28df47b308cda1548fa68ecc2eee"·name="a586d28df47b308cda1548fa68ecc2eee"></a>
153 <h2·class="memtitle"><span·class="permalink"><a·href="#a586d28df47b308cda1548fa68ecc2eee">&#9670;&nbsp;</a></span>GetSequence()·<span·class="overload">[1/3]</span></h2>153 <h2·class="memtitle"><span·class="permalink"><a·href="#a586d28df47b308cda1548fa68ecc2eee">&#9670;&nbsp;</a></span>GetSequence()·<span·class="overload">[1/3]</span></h2>
  
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="../../d2/df4/a08275.html">List·of·all·members</a>··</div>72 <a·href="../../d2/df4/a08275.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RaytracingRenderer·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span><div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../de/d8e/a02213.html">Renderer</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RaytracingRenderer·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span><div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../de/d8e/a02213.html">Renderer</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../dc/dee/a01166_source.html">BALL/VIEW/RENDERING/RENDERERS/raytracingRenderer.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d2/d2f/a01460_source.html">BALL/VIEW/RENDERING/RENDERERS/raytracingRenderer.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::RaytracingRenderer:</div>78 Inheritance·diagram·for·BALL::VIEW::RaytracingRenderer:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d7/dac/a08278.png"·usemap="#BALL::VIEW::RaytracingRenderer_map"·alt=""/>81 ··<img·src="../../d7/dac/a08278.png"·usemap="#BALL::VIEW::RaytracingRenderer_map"·alt=""/>
82 ··<map·id="BALL::VIEW::RaytracingRenderer_map"·name="BALL::VIEW::RaytracingRenderer_map">82 ··<map·id="BALL::VIEW::RaytracingRenderer_map"·name="BALL::VIEW::RaytracingRenderer_map">
83 <area·href="../../d0/d0b/a08254.html"·alt="BALL::VIEW::BufferedRenderer"·shape="rect"·coords="110,56,321,80"/>83 <area·href="../../d0/d0b/a08254.html"·alt="BALL::VIEW::BufferedRenderer"·shape="rect"·coords="110,56,321,80"/>
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306 </table>306 </table>
307 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>307 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
308 <div·class="textblock"><p·><a·class="el"·href="../../d7/dac/a08278.html">RaytracingRenderer</a>·General·interface·for·renderer,·which·provides·raytracing·instead·of·regular·rendering.·<br··/>308 <div·class="textblock"><p·><a·class="el"·href="../../d7/dac/a08278.html">RaytracingRenderer</a>·General·interface·for·renderer,·which·provides·raytracing·instead·of·regular·rendering.·<br··/>
309 ·</p>309 ·</p>
  
310 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">raytracingRenderer.h</a>.</p>310 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d2f/a01460_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d2/d2f/a01460_source.html">raytracingRenderer.h</a>.</p>
311 </div><h2·class="groupheader">Member·Function·Documentation</h2>311 </div><h2·class="groupheader">Member·Function·Documentation</h2>
312 <a·id="ae16c9b95ce70ea82adae4a519b92a442"·name="ae16c9b95ce70ea82adae4a519b92a442"></a>312 <a·id="ae16c9b95ce70ea82adae4a519b92a442"·name="ae16c9b95ce70ea82adae4a519b92a442"></a>
313 <h2·class="memtitle"><span·class="permalink"><a·href="#ae16c9b95ce70ea82adae4a519b92a442">&#9670;&nbsp;</a></span>getRenderer()</h2>313 <h2·class="memtitle"><span·class="permalink"><a·href="#ae16c9b95ce70ea82adae4a519b92a442">&#9670;&nbsp;</a></span>getRenderer()</h2>
  
314 <div·class="memitem">314 <div·class="memitem">
315 <div·class="memproto">315 <div·class="memproto">
316 <table·class="mlabels">316 <table·class="mlabels">
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71 ··<div·class="headertitle"><div·class="title">BALL::SCWRLRotamerFile·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::SCWRLRotamerFile·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p>Reads·Dunbrack/SCWRL·rotamer·library·files.··74 <p>Reads·Dunbrack/SCWRL·rotamer·library·files.··
75 ·<a·href="../../d7/dad/a04438.html#details">More...</a></p>75 ·<a·href="../../d7/dad/a04438.html#details">More...</a></p>
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d51/a00017_source.html">BALL/FORMAT/SCWRLRotamerFile.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../df/d88/a00962_source.html">BALL/FORMAT/SCWRLRotamerFile.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::SCWRLRotamerFile:</div>78 Inheritance·diagram·for·BALL::SCWRLRotamerFile:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d7/dad/a04438.png"·usemap="#BALL::SCWRLRotamerFile_map"·alt=""/>81 ··<img·src="../../d7/dad/a04438.png"·usemap="#BALL::SCWRLRotamerFile_map"·alt=""/>
82 ··<map·id="BALL::SCWRLRotamerFile_map"·name="BALL::SCWRLRotamerFile_map">82 ··<map·id="BALL::SCWRLRotamerFile_map"·name="BALL::SCWRLRotamerFile_map">
83 <area·href="../../dc/d61/a03950.html"·alt="BALL::LineBasedFile"·shape="rect"·coords="90,392,260,416"/>83 <area·href="../../dc/d61/a03950.html"·alt="BALL::LineBasedFile"·shape="rect"·coords="90,392,260,416"/>
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348 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>348 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>
349 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>349 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
350 </table>350 </table>
351 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>351 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
352 <div·class="textblock"><p·>Reads·Dunbrack/SCWRL·rotamer·library·files.·</p>352 <div·class="textblock"><p·>Reads·Dunbrack/SCWRL·rotamer·library·files.·</p>
353 <p·>This·class·is·able·to·read·the·rotamer·library·files·from·Dunbrack·including·the·one·used·in·SCWRL3.0·.·It·decides·if·the·file·contains·backbone·dependent·or·backbone·independent·rotamers.·Currently·only·files·with·the·same·format·as·<b>bbdep02.May.lib</b>·or·<b>bbind02.May.lib</b>·are·supported.·</p>353 <p·>This·class·is·able·to·read·the·rotamer·library·files·from·Dunbrack·including·the·one·used·in·SCWRL3.0·.·It·decides·if·the·file·contains·backbone·dependent·or·backbone·independent·rotamers.·Currently·only·files·with·the·same·format·as·<b>bbdep02.May.lib</b>·or·<b>bbind02.May.lib</b>·are·supported.·</p>
  
354 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d51/a00017_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d4/d51/a00017_source.html">SCWRLRotamerFile.h</a>.</p>354 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">SCWRLRotamerFile.h</a>.</p>
355 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>355 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
356 <a·id="a244e021d7a9677648ccb492f0e3d615b"·name="a244e021d7a9677648ccb492f0e3d615b"></a>356 <a·id="a244e021d7a9677648ccb492f0e3d615b"·name="a244e021d7a9677648ccb492f0e3d615b"></a>
357 <h2·class="memtitle"><span·class="permalink"><a·href="#a244e021d7a9677648ccb492f0e3d615b">&#9670;&nbsp;</a></span>SCWRLRotamerFile()·<span·class="overload">[1/2]</span></h2>357 <h2·class="memtitle"><span·class="permalink"><a·href="#a244e021d7a9677648ccb492f0e3d615b">&#9670;&nbsp;</a></span>SCWRLRotamerFile()·<span·class="overload">[1/2]</span></h2>
  
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360 ······<table·class="memname">360 ······<table·class="memname">
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8 <title>BALL:·cudaVolumeRenderer.h·File·Reference</title>8 <title>BALL:·molecularDynamicsDialog.h·File·Reference</title>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li><li·class="navelem"><a·class="el"·href="../../dir_63800ef38c29322dc72b2a63f41a2424.html">RENDERERS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#define-members">Macros</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">cudaVolumeRenderer.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">molecularDynamicsDialog.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/dee/a01166_source.html">BALL/VIEW/RENDERING/RENDERERS/raytracingRenderer.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
76 <code>#include·&lt;cudamm/cuda.hpp&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;BALL/VIEW/UIC/ui_molecularDynamicsDialog.h&gt;</code><br·/>
77 </div>77 </div>
78 <p><a·href="../../d7/daf/a01169_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d7/daf/a01169_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">79 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>81 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/df4/a08258.html">BALL::VIEW::CudaVolumeRenderer</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df8/a07658.html">BALL::VIEW::MolecularDynamicsDialog</a></td></tr>
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86 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
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89 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>89 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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91 </table><table·class="memberdecls"> 
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93 Macros</h2></td></tr> 
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96 </table>91 </table>
97 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
98 <a·id="aaebad9ffd64a84520df1c3ee6bbb15ca"·name="aaebad9ffd64a84520df1c3ee6bbb15ca"></a> 
99 <h2·class="memtitle"><span·class="permalink"><a·href="#aaebad9ffd64a84520df1c3ee6bbb15ca">&#9670;&nbsp;</a></span>BALLVIEW_CUDAVOLUMERENDERER_THROW</h2> 
  
100 <div·class="memitem"> 
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103 ········<tr> 
104 ··········<td·class="memname">#define·BALLVIEW_CUDAVOLUMERENDERER_THROW</td> 
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106 ··········<td·class="paramtype">&#160;</td> 
107 ··········<td·class="paramname">exceptionName,·</td> 
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117 ··········<td>)</td> 
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119 ········</tr> 
120 ······</table> 
121 </div><div·class="memdoc"> 
  
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123 </div> 
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125 </div><!--·contents·-->92 </div><!--·contents·-->
126 <!--·start·footer·part·-->93 <!--·start·footer·part·-->
127 <hr·class="footer"/><address·class="footer"><small>94 <hr·class="footer"/><address·class="footer"><small>
128 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.495 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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98 <h2·class="memtitle"><span·class="permalink"><a·href="#ga1a143f5511b66cb6472ad8913046b8d3">&#9670;&nbsp;</a></span>operator&lt;&lt;()</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#ga1a143f5511b66cb6472ad8913046b8d3">&#9670;&nbsp;</a></span>operator&lt;&lt;()</h2>
  
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125 </div><div·class="memdoc">125 </div><div·class="memdoc">
126 <p·>Output·Operator.·Writes·the·two·coordinates·of·the·box·to·an·output·stream.·The·vectors·are·enclosed·by·brackets.</p><dl·class="section·user"><dt></dt><dd><b>·Example</b>·</dd></dl>126 <p·>Output·Operator.·Writes·the·two·coordinates·of·the·box·to·an·output·stream.·The·vectors·are·enclosed·by·brackets.</p><dl·class="section·user"><dt></dt><dd><b>·Example</b>·</dd></dl>
127 <dl·class="section·user"><dt></dt><dd><code>·((0·1·2)·(7.5·3.4·10))·</code></dd></dl>127 <dl·class="section·user"><dt></dt><dd><code>·((0·1·2)·(7.5·3.4·10))·</code></dd></dl>
128 <dl·class="section·user"><dt></dt><dd></dd></dl>128 <dl·class="section·user"><dt></dt><dd></dd></dl>
129 <dl·class="section·see"><dt>See·also</dt><dd>TVector3::operator&lt;&lt;·</dd></dl>129 <dl·class="section·see"><dt>See·also</dt><dd>TVector3::operator&lt;&lt;·</dd></dl>
  
130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dbd/a01829_source.html#l00606">606</a>·of·file·<a·class="el"·href="../../d6/dbd/a01829_source.html">simpleBox3.h</a>.</p>130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dd7/a00248_source.html#l00606">606</a>·of·file·<a·class="el"·href="../../dd/dd7/a00248_source.html">simpleBox3.h</a>.</p>
  
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134 <h2·class="memtitle"><span·class="permalink"><a·href="#gaf05f8e30f4a2fdf07adc06e67fdaf9ef">&#9670;&nbsp;</a></span>operator&gt;&gt;()</h2>134 <h2·class="memtitle"><span·class="permalink"><a·href="#gaf05f8e30f4a2fdf07adc06e67fdaf9ef">&#9670;&nbsp;</a></span>operator&gt;&gt;()</h2>
  
135 <div·class="memitem">135 <div·class="memitem">
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162 <p·>Input·operator.·Reads·in·two·objects·of·type·<a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>·a·and·b·</p>162 <p·>Input·operator.·Reads·in·two·objects·of·type·<a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>·a·and·b·</p>
  
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164 </div>164 </div>
165 </div>165 </div>
166 </div><!--·contents·-->166 </div><!--·contents·-->
167 <!--·start·footer·part·-->167 <!--·start·footer·part·-->
168 <hr·class="footer"/><address·class="footer"><small>168 <hr·class="footer"/><address·class="footer"><small>
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71 ··<div·class="headertitle"><div·class="title">BALL::FileSystem·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d7/db7/a02198.html">Operating·system·support</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::FileSystem·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d7/db7/a02198.html">Operating·system·support</a></div></div></div>
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73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../db/d66/a01721_source.html">BALL/SYSTEM/fileSystem.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d5/de8/a00749_source.html">BALL/SYSTEM/fileSystem.h</a>&gt;</code></p>
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77 Public·Types</h2></td></tr>77 Public·Types</h2></td></tr>
78 <tr><td·colspan="2"><div·class="groupHeader">Enums</div></td></tr>78 <tr><td·colspan="2"><div·class="groupHeader">Enums</div></td></tr>
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104 </table>104 </table>
105 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>105 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
106 <div·class="textblock"><p·><a·class="el"·href="../../db/d42/a07350.html">File</a>·<a·class="el"·href="../../de/d04/a04774.html">System</a>·Class·This·class·is·a·wrapper·around·some·very·basic·properties·of·the·machine's·file·system·properties.·The·method·(·<a·class="el"·href="../../d7/daf/a07358.html#a4f7c22be91b6034e04d8e87d8467f2a0">canonizePath·</a>·)·is·mainly·used·by·<a·class="el"·href="../../db/d42/a07350.html">File·</a>·to·obtain·a·unique·and·unambiguous·representation·of·a·path.·</p>106 <div·class="textblock"><p·><a·class="el"·href="../../db/d42/a07350.html">File</a>·<a·class="el"·href="../../de/d04/a04774.html">System</a>·Class·This·class·is·a·wrapper·around·some·very·basic·properties·of·the·machine's·file·system·properties.·The·method·(·<a·class="el"·href="../../d7/daf/a07358.html#a4f7c22be91b6034e04d8e87d8467f2a0">canonizePath·</a>·)·is·mainly·used·by·<a·class="el"·href="../../db/d42/a07350.html">File·</a>·to·obtain·a·unique·and·unambiguous·representation·of·a·path.·</p>
  
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d66/a01721_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../db/d66/a01721_source.html">fileSystem.h</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/de8/a00749_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d5/de8/a00749_source.html">fileSystem.h</a>.</p>
108 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>108 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
109 <a·id="a4dc3702545236b749a207de098ba4a94"·name="a4dc3702545236b749a207de098ba4a94"></a>109 <a·id="a4dc3702545236b749a207de098ba4a94"·name="a4dc3702545236b749a207de098ba4a94"></a>
110 <h2·class="memtitle"><span·class="permalink"><a·href="#a4dc3702545236b749a207de098ba4a94">&#9670;&nbsp;</a></span>anonymous·enum</h2>110 <h2·class="memtitle"><span·class="permalink"><a·href="#a4dc3702545236b749a207de098ba4a94">&#9670;&nbsp;</a></span>anonymous·enum</h2>
  
111 <div·class="memitem">111 <div·class="memitem">
112 <div·class="memproto">112 <div·class="memproto">
113 ······<table·class="memname">113 ······<table·class="memname">
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121 <table·class="fieldtable">121 <table·class="fieldtable">
122 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a4dc3702545236b749a207de098ba4a94ab45bc53a3d930c64aa7c84d39b8d9d6c"·name="a4dc3702545236b749a207de098ba4a94ab45bc53a3d930c64aa7c84d39b8d9d6c"></a>MAX_FILENAME_LENGTH&#160;</td><td·class="fielddoc"><p·>The·maximum·length·of·a·filename.·</p>122 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a4dc3702545236b749a207de098ba4a94ab45bc53a3d930c64aa7c84d39b8d9d6c"·name="a4dc3702545236b749a207de098ba4a94ab45bc53a3d930c64aa7c84d39b8d9d6c"></a>MAX_FILENAME_LENGTH&#160;</td><td·class="fielddoc"><p·>The·maximum·length·of·a·filename.·</p>
123 </td></tr>123 </td></tr>
124 <tr><td·class="fieldname"><a·id="a4dc3702545236b749a207de098ba4a94ac5f3f5be96182833a3f02ff949c7d94e"·name="a4dc3702545236b749a207de098ba4a94ac5f3f5be96182833a3f02ff949c7d94e"></a>MAX_PATH_LENGTH&#160;</td><td·class="fielddoc"><p·>The·maximum·length·for·a·full·path.·</p>124 <tr><td·class="fieldname"><a·id="a4dc3702545236b749a207de098ba4a94ac5f3f5be96182833a3f02ff949c7d94e"·name="a4dc3702545236b749a207de098ba4a94ac5f3f5be96182833a3f02ff949c7d94e"></a>MAX_PATH_LENGTH&#160;</td><td·class="fielddoc"><p·>The·maximum·length·for·a·full·path.·</p>
125 </td></tr>125 </td></tr>
126 </table>126 </table>
  
127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d66/a01721_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../db/d66/a01721_source.html">fileSystem.h</a>.</p>127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/de8/a00749_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../d5/de8/a00749_source.html">fileSystem.h</a>.</p>
  
128 </div>128 </div>
129 </div>129 </div>
130 <h2·class="groupheader">Member·Function·Documentation</h2>130 <h2·class="groupheader">Member·Function·Documentation</h2>
131 <a·id="ae402d7e9736e6050c4333cfc275326cb"·name="ae402d7e9736e6050c4333cfc275326cb"></a>131 <a·id="ae402d7e9736e6050c4333cfc275326cb"·name="ae402d7e9736e6050c4333cfc275326cb"></a>
132 <h2·class="memtitle"><span·class="permalink"><a·href="#ae402d7e9736e6050c4333cfc275326cb">&#9670;&nbsp;</a></span>baseName()</h2>132 <h2·class="memtitle"><span·class="permalink"><a·href="#ae402d7e9736e6050c4333cfc275326cb">&#9670;&nbsp;</a></span>baseName()</h2>
  
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256 ··<td·class="mlabels-right">256 ··<td·class="mlabels-right">
257 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>257 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
258 ··</tr>258 ··</tr>
259 </table>259 </table>
260 </div><div·class="memdoc">260 </div><div·class="memdoc">
261 <p·>The·string·used·to·indicate·the·current·directory.·This·is·usually·<code>'.'</code>·</p>261 <p·>The·string·used·to·indicate·the·current·directory.·This·is·usually·<code>'.'</code>·</p>
  
262 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d66/a01721_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../db/d66/a01721_source.html">fileSystem.h</a>.</p>262 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/de8/a00749_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d5/de8/a00749_source.html">fileSystem.h</a>.</p>
  
263 </div>263 </div>
264 </div>264 </div>
265 <a·id="a67359df77464d9424a2ad13bd62eb275"·name="a67359df77464d9424a2ad13bd62eb275"></a>265 <a·id="a67359df77464d9424a2ad13bd62eb275"·name="a67359df77464d9424a2ad13bd62eb275"></a>
266 <h2·class="memtitle"><span·class="permalink"><a·href="#a67359df77464d9424a2ad13bd62eb275">&#9670;&nbsp;</a></span>PARENT_DIRECTORY</h2>266 <h2·class="memtitle"><span·class="permalink"><a·href="#a67359df77464d9424a2ad13bd62eb275">&#9670;&nbsp;</a></span>PARENT_DIRECTORY</h2>
  
267 <div·class="memitem">267 <div·class="memitem">
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281 ··<td·class="mlabels-right">281 ··<td·class="mlabels-right">
282 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>282 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
283 ··</tr>283 ··</tr>
284 </table>284 </table>
285 </div><div·class="memdoc">285 </div><div·class="memdoc">
286 <p·>The·string·indicating·the·parent·directory.·This·is·usually·<code>'..'</code>·</p>286 <p·>The·string·indicating·the·parent·directory.·This·is·usually·<code>'..'</code>·</p>
  
287 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d66/a01721_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../db/d66/a01721_source.html">fileSystem.h</a>.</p>287 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/de8/a00749_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d5/de8/a00749_source.html">fileSystem.h</a>.</p>
  
288 </div>288 </div>
289 </div>289 </div>
290 <a·id="a69dd8d984e7e1a7f377e0e3226ae1bd4"·name="a69dd8d984e7e1a7f377e0e3226ae1bd4"></a>290 <a·id="a69dd8d984e7e1a7f377e0e3226ae1bd4"·name="a69dd8d984e7e1a7f377e0e3226ae1bd4"></a>
291 <h2·class="memtitle"><span·class="permalink"><a·href="#a69dd8d984e7e1a7f377e0e3226ae1bd4">&#9670;&nbsp;</a></span>PATH_SEPARATOR</h2>291 <h2·class="memtitle"><span·class="permalink"><a·href="#a69dd8d984e7e1a7f377e0e3226ae1bd4">&#9670;&nbsp;</a></span>PATH_SEPARATOR</h2>
  
292 <div·class="memitem">292 <div·class="memitem">
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306 ··<td·class="mlabels-right">306 ··<td·class="mlabels-right">
307 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>307 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
308 ··</tr>308 ··</tr>
309 </table>309 </table>
310 </div><div·class="memdoc">310 </div><div·class="memdoc">
311 <p·>The·character·separating·directories·in·a·path.·This·is·usually·<code>'/'</code>.·</p>311 <p·>The·character·separating·directories·in·a·path.·This·is·usually·<code>'/'</code>.·</p>
  
312 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d66/a01721_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../db/d66/a01721_source.html">fileSystem.h</a>.</p>312 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/de8/a00749_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d5/de8/a00749_source.html">fileSystem.h</a>.</p>
  
313 </div>313 </div>
314 </div>314 </div>
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317 <hr·class="footer"/><address·class="footer"><small>317 <hr·class="footer"/><address·class="footer"><small>
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72 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::GeneralLowerBoundAlgorithm&lt;·Criterion,·Reducer·&gt;·Class·Template·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::GeneralLowerBoundAlgorithm&lt;·Criterion,·Reducer·&gt;·Class·Template·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p>Generic·lower·bound·algorithm·on·graphs.··75 <p>Generic·lower·bound·algorithm·on·graphs.··
76 ·<a·href="../../d7/db0/a03466.html#details">More...</a></p>76 ·<a·href="../../d7/db0/a03466.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../de/dca/a01907_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::GeneralLowerBoundAlgorithm&lt;·Criterion,·Reducer·&gt;:</div>79 Inheritance·diagram·for·BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::GeneralLowerBoundAlgorithm&lt;·Criterion,·Reducer·&gt;:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d7/db0/a03466.png"·usemap="#BALL::TreeWidthImplementation_3C_20UndirectedGraph_20_3E::GeneralLowerBoundAlgorithm_3C_20Criterion_2C_20Reducer_20_3E_map"·alt=""/>82 ··<img·src="../../d7/db0/a03466.png"·usemap="#BALL::TreeWidthImplementation_3C_20UndirectedGraph_20_3E::GeneralLowerBoundAlgorithm_3C_20Criterion_2C_20Reducer_20_3E_map"·alt=""/>
83 ··<map·id="BALL::TreeWidthImplementation_3C_20UndirectedGraph_20_3E::GeneralLowerBoundAlgorithm_3C_20Criterion_2C_20Reducer_20_3E_map"·name="BALL::TreeWidthImplementation_3C_20UndirectedGraph_20_3E::GeneralLowerBoundAlgorithm_3C_20Criterion_2C_20Reducer_20_3E_map">83 ··<map·id="BALL::TreeWidthImplementation_3C_20UndirectedGraph_20_3E::GeneralLowerBoundAlgorithm_3C_20Criterion_2C_20Reducer_20_3E_map"·name="BALL::TreeWidthImplementation_3C_20UndirectedGraph_20_3E::GeneralLowerBoundAlgorithm_3C_20Criterion_2C_20Reducer_20_3E_map">
84 <area·href="../../d7/dbe/a03210.html"·alt="BALL::UnaryFunctor&lt;·UndirectedGraph,·Size·&gt;"·shape="rect"·coords="0,0,613,24"/>84 <area·href="../../d7/dbe/a03210.html"·alt="BALL::UnaryFunctor&lt;·UndirectedGraph,·Size·&gt;"·shape="rect"·coords="0,0,613,24"/>
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119 ····<tr><td·class="paramname">UndirectedGraph</td><td>the·graph·type·</td></tr>119 ····<tr><td·class="paramname">UndirectedGraph</td><td>the·graph·type·</td></tr>
120 ····<tr><td·class="paramname">Criterion</td><td>the·criterium·which·chooses·the·next·vertex·</td></tr>120 ····<tr><td·class="paramname">Criterion</td><td>the·criterium·which·chooses·the·next·vertex·</td></tr>
121 ····<tr><td·class="paramname">Reducer</td><td>the·reducer·which·removes·a·vertex·from·the·graph·to·reduce·it's·size·</td></tr>121 ····<tr><td·class="paramname">Reducer</td><td>the·reducer·which·removes·a·vertex·from·the·graph·to·reduce·it's·size·</td></tr>
122 ··</table>122 ··</table>
123 ··</dd>123 ··</dd>
124 </dl>124 </dl>
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00204">204</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">treeWidth.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00204">204</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
126 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>126 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
127 <a·id="ab16e0a199a16f2035e0b91c114623469"·name="ab16e0a199a16f2035e0b91c114623469"></a>127 <a·id="ab16e0a199a16f2035e0b91c114623469"·name="ab16e0a199a16f2035e0b91c114623469"></a>
128 <h2·class="memtitle"><span·class="permalink"><a·href="#ab16e0a199a16f2035e0b91c114623469">&#9670;&nbsp;</a></span>GeneralLowerBoundAlgorithm()</h2>128 <h2·class="memtitle"><span·class="permalink"><a·href="#ab16e0a199a16f2035e0b91c114623469">&#9670;&nbsp;</a></span>GeneralLowerBoundAlgorithm()</h2>
  
129 <div·class="memitem">129 <div·class="memitem">
130 <div·class="memproto">130 <div·class="memproto">
131 <div·class="memtemplate">131 <div·class="memtemplate">
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148 ··</td>148 ··</td>
149 ··<td·class="mlabels-right">149 ··<td·class="mlabels-right">
150 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>150 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
151 ··</tr>151 ··</tr>
152 </table>152 </table>
153 </div><div·class="memdoc">153 </div><div·class="memdoc">
  
154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00208">208</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">treeWidth.h</a>.</p>154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00208">208</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
155 </div>155 </div>
156 </div>156 </div>
157 <h2·class="groupheader">Member·Function·Documentation</h2>157 <h2·class="groupheader">Member·Function·Documentation</h2>
158 <a·id="a3cf696a7f77ed5855b66bbbabb07da24"·name="a3cf696a7f77ed5855b66bbbabb07da24"></a>158 <a·id="a3cf696a7f77ed5855b66bbbabb07da24"·name="a3cf696a7f77ed5855b66bbbabb07da24"></a>
159 <h2·class="memtitle"><span·class="permalink"><a·href="#a3cf696a7f77ed5855b66bbbabb07da24">&#9670;&nbsp;</a></span>operator()()</h2>159 <h2·class="memtitle"><span·class="permalink"><a·href="#a3cf696a7f77ed5855b66bbbabb07da24">&#9670;&nbsp;</a></span>operator()()</h2>
  
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8 <title>BALL:·plsModel.h·File·Reference</title>8 <title>BALL:·burialDepth.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d0a/a02015_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d8b/a02060_source.html">BALL/QSAR/statistics.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../db/d51/a20335_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d6/d8e/a01979_source.html">BALL/QSAR/latentVariableModel.h</a>&gt;</code><br·/> 
78 </div>76 </div>
79 <p><a·href="../../d7/db2/a02036_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d7/db2/a02036_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">78 <table·class="memberdecls">
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62 </div><!--·top·-->66 </div><!--·top·-->
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64 ··<div·class="headertitle"><div·class="title">widgets.doc·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">rotateBond.h·File·Reference</div></div>
65 </div><!--header-->72 </div><!--header-->
66 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../df/da9/a00263_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
 77 </div>
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73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../d7/db6/a06930.html"·title="Default·values·for·options.">Default</a>·values·for·options.··75 <p><a·class="el"·href="../../d7/db6/a06930.html"·title="Default·values·for·options.">Default</a>·values·for·options.··
76 ·<a·href="../../d7/db6/a06930.html#details">More...</a></p>76 ·<a·href="../../d7/db6/a06930.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../dc/dce/a00740_source.html">BALL/STRUCTURE/HBondProcessor.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d7/d02/a01808_source.html">BALL/STRUCTURE/HBondProcessor.h</a>&gt;</code></p>
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86 <tr·class="separator:ad1b259a27aa0e4148590328f914816be"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:ad1b259a27aa0e4148590328f914816be"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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89 <div·class="textblock"><p·><a·class="el"·href="../../d7/db6/a06930.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>89 <div·class="textblock"><p·><a·class="el"·href="../../d7/db6/a06930.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>
  
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115 </div>115 </div>
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118 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1b259a27aa0e4148590328f914816be">&#9670;&nbsp;</a></span>KABSCH_SANDER_ENERGY_CUTOFF</h2>118 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1b259a27aa0e4148590328f914816be">&#9670;&nbsp;</a></span>KABSCH_SANDER_ENERGY_CUTOFF</h2>
  
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139 </div>139 </div>
140 </div>140 </div>
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156 ··</td>156 ··</td>
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160 </table>160 </table>
161 </div><div·class="memdoc">161 </div><div·class="memdoc">
  
162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00156">156</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">HBondProcessor.h</a>.</p>162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d02/a01808_source.html#l00156">156</a>·of·file·<a·class="el"·href="../../d7/d02/a01808_source.html">HBondProcessor.h</a>.</p>
  
163 </div>163 </div>
164 </div>164 </div>
165 </div><!--·contents·-->165 </div><!--·contents·-->
166 <!--·start·footer·part·-->166 <!--·start·footer·part·-->
167 <hr·class="footer"/><address·class="footer"><small>167 <hr·class="footer"/><address·class="footer"><small>
168 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4168 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d8/dbc/a05759.html">List·of·all·members</a>··</div>70 <a·href="../../d8/dbc/a05759.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::LinearModel·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::LinearModel·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../de/d0a/a02015_source.html">BALL/QSAR/linearModel.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d4/d27/a00392_source.html">BALL/QSAR/linearModel.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::QSAR::LinearModel:</div>76 Inheritance·diagram·for·BALL::QSAR::LinearModel:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d7/db7/a05762.png"·usemap="#BALL::QSAR::LinearModel_map"·alt=""/>79 ··<img·src="../../d7/db7/a05762.png"·usemap="#BALL::QSAR::LinearModel_map"·alt=""/>
80 ··<map·id="BALL::QSAR::LinearModel_map"·name="BALL::QSAR::LinearModel_map">80 ··<map·id="BALL::QSAR::LinearModel_map"·name="BALL::QSAR::LinearModel_map">
81 <area·href="../../dd/d9e/a05838.html"·alt="BALL::QSAR::RegressionModel"·shape="rect"·coords="198,56,386,80"/>81 <area·href="../../dd/d9e/a05838.html"·alt="BALL::QSAR::RegressionModel"·shape="rect"·coords="198,56,386,80"/>
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234 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>234 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>
235 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>235 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
236 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>236 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
237 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>237 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
238 </table>238 </table>
239 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>239 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
240 <div·class="textblock">240 <div·class="textblock">
241 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d0a/a02015_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../de/d0a/a02015_source.html">linearModel.h</a>.</p>241 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d27/a00392_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d4/d27/a00392_source.html">linearModel.h</a>.</p>
242 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>242 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
243 <a·id="ae39f93f35e3655f4a6fa25cca69e31fa"·name="ae39f93f35e3655f4a6fa25cca69e31fa"></a>243 <a·id="ae39f93f35e3655f4a6fa25cca69e31fa"·name="ae39f93f35e3655f4a6fa25cca69e31fa"></a>
244 <h2·class="memtitle"><span·class="permalink"><a·href="#ae39f93f35e3655f4a6fa25cca69e31fa">&#9670;&nbsp;</a></span>LinearModel()</h2>244 <h2·class="memtitle"><span·class="permalink"><a·href="#ae39f93f35e3655f4a6fa25cca69e31fa">&#9670;&nbsp;</a></span>LinearModel()</h2>
  
245 <div·class="memitem">245 <div·class="memitem">
246 <div·class="memproto">246 <div·class="memproto">
247 ······<table·class="memname">247 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../df/de9/a06791.html">List·of·all·members</a>··</div>71 <a·href="../../df/de9/a06791.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::DPBackTracking_::StateComparator_·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::DPBackTracking_::StateComparator_·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d2a/a00632_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8e/a01694_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:adc78b1c31a65068f21111cd211a539cb"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/db8/a06794.html#adc78b1c31a65068f21111cd211a539cb">operator()</a>·(<a·class="el"·href="../../d4/d17/a06786.html">BackTrackingState_</a>·const·*left,·<a·class="el"·href="../../d4/d17/a06786.html">BackTrackingState_</a>·const·*right)·const</td></tr>79 <tr·class="memitem:adc78b1c31a65068f21111cd211a539cb"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/db8/a06794.html#adc78b1c31a65068f21111cd211a539cb">operator()</a>·(<a·class="el"·href="../../d4/d17/a06786.html">BackTrackingState_</a>·const·*left,·<a·class="el"·href="../../d4/d17/a06786.html">BackTrackingState_</a>·const·*right)·const</td></tr>
80 <tr·class="separator:adc78b1c31a65068f21111cd211a539cb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:adc78b1c31a65068f21111cd211a539cb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 </table>81 </table>
82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock"><p·>Defines·the·Min-order·for·BackTrackingState-pointer·instances·in·the·queue·</p>83 <div·class="textblock"><p·>Defines·the·Min-order·for·BackTrackingState-pointer·instances·in·the·queue·</p>
  
84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l01067">1067</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l01067">1067</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
85 </div><h2·class="groupheader">Member·Function·Documentation</h2>85 </div><h2·class="groupheader">Member·Function·Documentation</h2>
86 <a·id="adc78b1c31a65068f21111cd211a539cb"·name="adc78b1c31a65068f21111cd211a539cb"></a>86 <a·id="adc78b1c31a65068f21111cd211a539cb"·name="adc78b1c31a65068f21111cd211a539cb"></a>
87 <h2·class="memtitle"><span·class="permalink"><a·href="#adc78b1c31a65068f21111cd211a539cb">&#9670;&nbsp;</a></span>operator()()</h2>87 <h2·class="memtitle"><span·class="permalink"><a·href="#adc78b1c31a65068f21111cd211a539cb">&#9670;&nbsp;</a></span>operator()()</h2>
  
88 <div·class="memitem">88 <div·class="memitem">
89 <div·class="memproto">89 <div·class="memproto">
90 ······<table·class="memname">90 ······<table·class="memname">
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../da/dec/a04499.html">List·of·all·members</a>··</div>70 <a·href="../../da/dec/a04499.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::Expression·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d2/da0/a02149.html">Kernel·Predicates</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::Expression·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d2/da0/a02149.html">Kernel·Predicates</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d8/d23/a00326_source.html">BALL/KERNEL/expression.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../dc/df9/a00554_source.html">BALL/KERNEL/expression.h</a>&gt;</code></p>
75 <table·class="memberdecls">75 <table·class="memberdecls">
76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
77 Public·Types</h2></td></tr>77 Public·Types</h2></td></tr>
78 <tr><td·colspan="2"><div·class="groupHeader">Type·Definitions</div></td></tr>78 <tr><td·colspan="2"><div·class="groupHeader">Type·Definitions</div></td></tr>
79 <tr·class="memitem:ae14008a907ca655ae2811da800f98fd1"><td·class="memItemLeft"·align="right"·valign="top">typedef·void·*(*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dba/a04502.html#ae14008a907ca655ae2811da800f98fd1">CreationMethod</a>)·()</td></tr>79 <tr·class="memitem:ae14008a907ca655ae2811da800f98fd1"><td·class="memItemLeft"·align="right"·valign="top">typedef·void·*(*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dba/a04502.html#ae14008a907ca655ae2811da800f98fd1">CreationMethod</a>)·()</td></tr>
80 <tr·class="separator:ae14008a907ca655ae2811da800f98fd1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:ae14008a907ca655ae2811da800f98fd1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 </table><table·class="memberdecls">81 </table><table·class="memberdecls">
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203 <tr>203 <tr>
204 <td><b>·is4C1()·</b></td><td>&#160;··</td></tr>204 <td><b>·is4C1()·</b></td><td>&#160;··</td></tr>
205 </table>205 </table>
206 </dd></dl>206 </dd></dl>
207 <dl·class="section·user"><dt></dt><dd></dd></dl>207 <dl·class="section·user"><dt></dt><dd></dd></dl>
208 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d8/d1c/a04522.html">ExpressionTree</a>·</dd></dl>208 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d8/d1c/a04522.html">ExpressionTree</a>·</dd></dl>
  
209 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d23/a00326_source.html#l00079">79</a>·of·file·<a·class="el"·href="../../d8/d23/a00326_source.html">expression.h</a>.</p>209 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df9/a00554_source.html#l00079">79</a>·of·file·<a·class="el"·href="../../dc/df9/a00554_source.html">expression.h</a>.</p>
210 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>210 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
211 <a·id="ae14008a907ca655ae2811da800f98fd1"·name="ae14008a907ca655ae2811da800f98fd1"></a>211 <a·id="ae14008a907ca655ae2811da800f98fd1"·name="ae14008a907ca655ae2811da800f98fd1"></a>
212 <h2·class="memtitle"><span·class="permalink"><a·href="#ae14008a907ca655ae2811da800f98fd1">&#9670;&nbsp;</a></span>CreationMethod</h2>212 <h2·class="memtitle"><span·class="permalink"><a·href="#ae14008a907ca655ae2811da800f98fd1">&#9670;&nbsp;</a></span>CreationMethod</h2>
  
213 <div·class="memitem">213 <div·class="memitem">
214 <div·class="memproto">214 <div·class="memproto">
215 ······<table·class="memname">215 ······<table·class="memname">
216 ········<tr>216 ········<tr>
217 ··········<td·class="memname">typedef·void·*(*·BALL::Expression::CreationMethod)·()</td>217 ··········<td·class="memname">typedef·void·*(*·BALL::Expression::CreationMethod)·()</td>
218 ········</tr>218 ········</tr>
219 ······</table>219 ······</table>
220 </div><div·class="memdoc">220 </div><div·class="memdoc">
221 <p·>A·creation·method·for·predicates.·</p>221 <p·>A·creation·method·for·predicates.·</p>
  
222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d23/a00326_source.html#l00091">91</a>·of·file·<a·class="el"·href="../../d8/d23/a00326_source.html">expression.h</a>.</p>222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df9/a00554_source.html#l00091">91</a>·of·file·<a·class="el"·href="../../dc/df9/a00554_source.html">expression.h</a>.</p>
  
223 </div>223 </div>
224 </div>224 </div>
225 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>225 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
226 <a·id="a0167cabe6ef3ae9b2224b809a6a987d4"·name="a0167cabe6ef3ae9b2224b809a6a987d4"></a>226 <a·id="a0167cabe6ef3ae9b2224b809a6a987d4"·name="a0167cabe6ef3ae9b2224b809a6a987d4"></a>
227 <h2·class="memtitle"><span·class="permalink"><a·href="#a0167cabe6ef3ae9b2224b809a6a987d4">&#9670;&nbsp;</a></span>Expression()·<span·class="overload">[1/3]</span></h2>227 <h2·class="memtitle"><span·class="permalink"><a·href="#a0167cabe6ef3ae9b2224b809a6a987d4">&#9670;&nbsp;</a></span>Expression()·<span·class="overload">[1/3]</span></h2>
  
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639 ··</td>639 ··</td>
640 ··<td·class="mlabels-right">640 ··<td·class="mlabels-right">
641 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>641 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
642 ··</tr>642 ··</tr>
643 </table>643 </table>
644 </div><div·class="memdoc">644 </div><div·class="memdoc">
  
645 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d23/a00326_source.html#l00205">205</a>·of·file·<a·class="el"·href="../../d8/d23/a00326_source.html">expression.h</a>.</p>645 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df9/a00554_source.html#l00205">205</a>·of·file·<a·class="el"·href="../../dc/df9/a00554_source.html">expression.h</a>.</p>
  
646 </div>646 </div>
647 </div>647 </div>
648 <a·id="ae431304fb46e6abb620f080b3b3b129e"·name="ae431304fb46e6abb620f080b3b3b129e"></a>648 <a·id="ae431304fb46e6abb620f080b3b3b129e"·name="ae431304fb46e6abb620f080b3b3b129e"></a>
649 <h2·class="memtitle"><span·class="permalink"><a·href="#ae431304fb46e6abb620f080b3b3b129e">&#9670;&nbsp;</a></span>expression_string_</h2>649 <h2·class="memtitle"><span·class="permalink"><a·href="#ae431304fb46e6abb620f080b3b3b129e">&#9670;&nbsp;</a></span>expression_string_</h2>
  
650 <div·class="memitem">650 <div·class="memitem">
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663 ··</td>663 ··</td>
664 ··<td·class="mlabels-right">664 ··<td·class="mlabels-right">
665 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>665 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
666 ··</tr>666 ··</tr>
667 </table>667 </table>
668 </div><div·class="memdoc">668 </div><div·class="memdoc">
  
669 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d23/a00326_source.html#l00214">214</a>·of·file·<a·class="el"·href="../../d8/d23/a00326_source.html">expression.h</a>.</p>669 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df9/a00554_source.html#l00214">214</a>·of·file·<a·class="el"·href="../../dc/df9/a00554_source.html">expression.h</a>.</p>
  
670 </div>670 </div>
671 </div>671 </div>
672 <a·id="aa7dfdff10ad9e2e50357c5fa82e8d79d"·name="aa7dfdff10ad9e2e50357c5fa82e8d79d"></a>672 <a·id="aa7dfdff10ad9e2e50357c5fa82e8d79d"·name="aa7dfdff10ad9e2e50357c5fa82e8d79d"></a>
673 <h2·class="memtitle"><span·class="permalink"><a·href="#aa7dfdff10ad9e2e50357c5fa82e8d79d">&#9670;&nbsp;</a></span>expression_tree_</h2>673 <h2·class="memtitle"><span·class="permalink"><a·href="#aa7dfdff10ad9e2e50357c5fa82e8d79d">&#9670;&nbsp;</a></span>expression_tree_</h2>
  
674 <div·class="memitem">674 <div·class="memitem">
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687 ··</td>687 ··</td>
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">regressionValidation.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">MMScoring.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d59/a01973_source.html">BALL/SCORING/COMMON/diffScoringFunction.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d31/a02087_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d4/d51/a00017_source.html">BALL/MOLMEC/AMBER/amber.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d0/d2b/a01997_source.html">BALL/QSAR/validation.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;iterator&gt;</code><br·/> 
78 </div>76 </div>
79 <p><a·href="../../d7/dbe/a02024_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d7/dbe/a02024_source.html">Go·to·the·source·code·of·this·file.</a></p>
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96 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.492 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 ··<div·class="headertitle"><div·class="title">BALL::MOL2File::CommentStruct·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::MOL2File::CommentStruct·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../df/d6a/a00119_source.html">BALL/FORMAT/MOL2File.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d85/a00908_source.html">BALL/FORMAT/MOL2File.h</a>&gt;</code></p>
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99 </div>99 </div>
100 </div>100 </div>
101 <a·id="aea12c3da07b6a291ce771fa077fc52d0"·name="aea12c3da07b6a291ce771fa077fc52d0"></a>101 <a·id="aea12c3da07b6a291ce771fa077fc52d0"·name="aea12c3da07b6a291ce771fa077fc52d0"></a>
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112 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::MOL2File::CommentStruct::value</td>112 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::MOL2File::CommentStruct::value</td>
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116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6a/a00119_source.html#l00184">184</a>·of·file·<a·class="el"·href="../../df/d6a/a00119_source.html">MOL2File.h</a>.</p>116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d85/a00908_source.html#l00184">184</a>·of·file·<a·class="el"·href="../../d0/d85/a00908_source.html">MOL2File.h</a>.</p>
  
117 </div>117 </div>
118 </div>118 </div>
119 </div><!--·contents·-->119 </div><!--·contents·-->
120 <!--·start·footer·part·-->120 <!--·start·footer·part·-->
121 <hr·class="footer"/><address·class="footer"><small>121 <hr·class="footer"/><address·class="footer"><small>
122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../d3/dc7/a06847.html">List·of·all·members</a>··</div>72 <a·href="../../d3/dc7/a06847.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::AssignChargeProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::AssignChargeProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00578_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../da/d18/a01850_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::AssignChargeProcessor:</div>78 Inheritance·diagram·for·BALL::AssignChargeProcessor:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d7/dc5/a06850.png"·usemap="#BALL::AssignChargeProcessor_map"·alt=""/>81 ··<img·src="../../d7/dc5/a06850.png"·usemap="#BALL::AssignChargeProcessor_map"·alt=""/>
82 ··<map·id="BALL::AssignChargeProcessor_map"·name="BALL::AssignChargeProcessor_map">82 ··<map·id="BALL::AssignChargeProcessor_map"·name="BALL::AssignChargeProcessor_map">
83 <area·href="../../d1/d67/a06846.html"·alt="BALL::AssignRadiusProcessor"·shape="rect"·coords="0,112,286,136"/>83 <area·href="../../d1/d67/a06846.html"·alt="BALL::AssignRadiusProcessor"·shape="rect"·coords="0,112,286,136"/>
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160 <tr·class="inherit_header·pro_methods_a06846"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06846')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d1/d67/a06846.html">BALL::AssignRadiusProcessor</a></td></tr>160 <tr·class="inherit_header·pro_methods_a06846"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06846')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d1/d67/a06846.html">BALL::AssignRadiusProcessor</a></td></tr>
161 <tr·class="memitem:adf96797afc4d351f53a28153f567c5de·inherit·pro_methods_a06846"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d67/a06846.html#adf96797afc4d351f53a28153f567c5de">buildTable_</a>·()</td></tr>161 <tr·class="memitem:adf96797afc4d351f53a28153f567c5de·inherit·pro_methods_a06846"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d67/a06846.html#adf96797afc4d351f53a28153f567c5de">buildTable_</a>·()</td></tr>
162 <tr·class="separator:adf96797afc4d351f53a28153f567c5de·inherit·pro_methods_a06846"><td·class="memSeparator"·colspan="2">&#160;</td></tr>162 <tr·class="separator:adf96797afc4d351f53a28153f567c5de·inherit·pro_methods_a06846"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
163 </table>163 </table>
164 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>164 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
165 <div·class="textblock"><p·>Assigns·a·charge·to·each·atom.·This·processor·reads·a·charge·table·from·a·file·and·assigns·each·atom·a·charge·according·to·its·name·and·the·name·of·the·fragment·the·atom·is·contained·in.·</p>165 <div·class="textblock"><p·>Assigns·a·charge·to·each·atom.·This·processor·reads·a·charge·table·from·a·file·and·assigns·each·atom·a·charge·according·to·its·name·and·the·name·of·the·fragment·the·atom·is·contained·in.·</p>
  
166 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5c/a00578_source.html#l00144">144</a>·of·file·<a·class="el"·href="../../dd/d5c/a00578_source.html">defaultProcessors.h</a>.</p>166 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d18/a01850_source.html#l00144">144</a>·of·file·<a·class="el"·href="../../da/d18/a01850_source.html">defaultProcessors.h</a>.</p>
167 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>167 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
168 <a·id="a086890005d584f49ee3962eb963a8771"·name="a086890005d584f49ee3962eb963a8771"></a>168 <a·id="a086890005d584f49ee3962eb963a8771"·name="a086890005d584f49ee3962eb963a8771"></a>
169 <h2·class="memtitle"><span·class="permalink"><a·href="#a086890005d584f49ee3962eb963a8771">&#9670;&nbsp;</a></span>AssignChargeProcessor()·<span·class="overload">[1/2]</span></h2>169 <h2·class="memtitle"><span·class="permalink"><a·href="#a086890005d584f49ee3962eb963a8771">&#9670;&nbsp;</a></span>AssignChargeProcessor()·<span·class="overload">[1/2]</span></h2>
  
170 <div·class="memitem">170 <div·class="memitem">
171 <div·class="memproto">171 <div·class="memproto">
172 ······<table·class="memname">172 ······<table·class="memname">
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302 ··</td>302 ··</td>
303 ··<td·class="mlabels-right">303 ··<td·class="mlabels-right">
304 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>304 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
305 ··</tr>305 ··</tr>
306 </table>306 </table>
307 </div><div·class="memdoc">307 </div><div·class="memdoc">
  
308 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5c/a00578_source.html#l00177">177</a>·of·file·<a·class="el"·href="../../dd/d5c/a00578_source.html">defaultProcessors.h</a>.</p>308 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d18/a01850_source.html#l00177">177</a>·of·file·<a·class="el"·href="../../da/d18/a01850_source.html">defaultProcessors.h</a>.</p>
  
309 </div>309 </div>
310 </div>310 </div>
311 </div><!--·contents·-->311 </div><!--·contents·-->
312 <!--·start·footer·part·-->312 <!--·start·footer·part·-->
313 <hr·class="footer"/><address·class="footer"><small>313 <hr·class="footer"/><address·class="footer"><small>
314 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4314 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 ··<div·class="headertitle"><div·class="title">BALL::SmartsMatcher::RecStructPool_·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SmartsMatcher::RecStructPool_·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p>class·which·does·the·pool·operations·of·the·<a·class="el"·href="../../d6/dc7/a07206.html"·title="core·structure·of·the·recursive·matching·algorithm·for·the·object·pool">RecStructCore_</a>·pool··75 <p>class·which·does·the·pool·operations·of·the·<a·class="el"·href="../../d6/dc7/a07206.html"·title="core·structure·of·the·recursive·matching·algorithm·for·the·object·pool">RecStructCore_</a>·pool··
76 ·<a·href="../../d7/dc6/a07210.html#details">More...</a></p>76 ·<a·href="../../d7/dc6/a07210.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../dd/db2/a00737_source.html">BALL/STRUCTURE/smartsMatcher.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d9/d79/a01658_source.html">BALL/STRUCTURE/smartsMatcher.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
80 Public·Member·Functions</h2></td></tr>80 Public·Member·Functions</h2></td></tr>
81 <tr·class="memitem:abb3b6c2758102c13ff7c7e6da13f2a3c"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dc6/a07210.html#abb3b6c2758102c13ff7c7e6da13f2a3c">RecStructPool_</a>·()</td></tr>81 <tr·class="memitem:abb3b6c2758102c13ff7c7e6da13f2a3c"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dc6/a07210.html#abb3b6c2758102c13ff7c7e6da13f2a3c">RecStructPool_</a>·()</td></tr>
82 <tr·class="memdesc:abb3b6c2758102c13ff7c7e6da13f2a3c"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">default·constructors··<a·href="../../d7/dc6/a07210.html#abb3b6c2758102c13ff7c7e6da13f2a3c">More...</a><br·/></td></tr>82 <tr·class="memdesc:abb3b6c2758102c13ff7c7e6da13f2a3c"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">default·constructors··<a·href="../../d7/dc6/a07210.html#abb3b6c2758102c13ff7c7e6da13f2a3c">More...</a><br·/></td></tr>
83 <tr·class="separator:abb3b6c2758102c13ff7c7e6da13f2a3c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:abb3b6c2758102c13ff7c7e6da13f2a3c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
84 <tr·class="memitem:aaaeb4443c890301b3644163655942256"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dc6/a07210.html#aaaeb4443c890301b3644163655942256">~RecStructPool_</a>·()</td></tr>84 <tr·class="memitem:aaaeb4443c890301b3644163655942256"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dc6/a07210.html#aaaeb4443c890301b3644163655942256">~RecStructPool_</a>·()</td></tr>
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95 <tr·class="memitem:a54e924f3a0f46ada38cf8ac8d3b8d394"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dc6/a07210.html#a54e924f3a0f46ada38cf8ac8d3b8d394">destroy</a>·(<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·pos)</td></tr>95 <tr·class="memitem:a54e924f3a0f46ada38cf8ac8d3b8d394"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dc6/a07210.html#a54e924f3a0f46ada38cf8ac8d3b8d394">destroy</a>·(<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·pos)</td></tr>
96 <tr·class="memdesc:a54e924f3a0f46ada38cf8ac8d3b8d394"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">frees·the·structure·at·position·pos··<a·href="../../d7/dc6/a07210.html#a54e924f3a0f46ada38cf8ac8d3b8d394">More...</a><br·/></td></tr>96 <tr·class="memdesc:a54e924f3a0f46ada38cf8ac8d3b8d394"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">frees·the·structure·at·position·pos··<a·href="../../d7/dc6/a07210.html#a54e924f3a0f46ada38cf8ac8d3b8d394">More...</a><br·/></td></tr>
97 <tr·class="separator:a54e924f3a0f46ada38cf8ac8d3b8d394"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:a54e924f3a0f46ada38cf8ac8d3b8d394"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>98 </table>
99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
100 <div·class="textblock"><p·>class·which·does·the·pool·operations·of·the·<a·class="el"·href="../../d6/dc7/a07206.html"·title="core·structure·of·the·recursive·matching·algorithm·for·the·object·pool">RecStructCore_</a>·pool·</p>100 <div·class="textblock"><p·>class·which·does·the·pool·operations·of·the·<a·class="el"·href="../../d6/dc7/a07206.html"·title="core·structure·of·the·recursive·matching·algorithm·for·the·object·pool">RecStructCore_</a>·pool·</p>
  
101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/db2/a00737_source.html#l00153">153</a>·of·file·<a·class="el"·href="../../dd/db2/a00737_source.html">smartsMatcher.h</a>.</p>101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d79/a01658_source.html#l00153">153</a>·of·file·<a·class="el"·href="../../d9/d79/a01658_source.html">smartsMatcher.h</a>.</p>
102 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>102 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
103 <a·id="abb3b6c2758102c13ff7c7e6da13f2a3c"·name="abb3b6c2758102c13ff7c7e6da13f2a3c"></a>103 <a·id="abb3b6c2758102c13ff7c7e6da13f2a3c"·name="abb3b6c2758102c13ff7c7e6da13f2a3c"></a>
104 <h2·class="memtitle"><span·class="permalink"><a·href="#abb3b6c2758102c13ff7c7e6da13f2a3c">&#9670;&nbsp;</a></span>RecStructPool_()</h2>104 <h2·class="memtitle"><span·class="permalink"><a·href="#abb3b6c2758102c13ff7c7e6da13f2a3c">&#9670;&nbsp;</a></span>RecStructPool_()</h2>
  
105 <div·class="memitem">105 <div·class="memitem">
106 <div·class="memproto">106 <div·class="memproto">
107 ······<table·class="memname">107 ······<table·class="memname">
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../da/d0f/a05063.html">List·of·all·members</a>··</div>70 <a·href="../../da/d0f/a05063.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::BendComponent·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d86/a02170.html">AMBER·Force·Field.</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::BendComponent·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d86/a02170.html">AMBER·Force·Field.</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d7/d46/a00890_source.html">BALL/MOLMEC/COMMON/bendComponent.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d0/d89/a00071_source.html">BALL/MOLMEC/COMMON/bendComponent.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::BendComponent:</div>76 Inheritance·diagram·for·BALL::BendComponent:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d7/dc7/a05066.png"·usemap="#BALL::BendComponent_map"·alt=""/>79 ··<img·src="../../d7/dc7/a05066.png"·usemap="#BALL::BendComponent_map"·alt=""/>
80 ··<map·id="BALL::BendComponent_map"·name="BALL::BendComponent_map">80 ··<map·id="BALL::BendComponent_map"·name="BALL::BendComponent_map">
81 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="92,56,266,80"/>81 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="92,56,266,80"/>
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225 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>225 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
226 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>226 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
227 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>227 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
228 </table>228 </table>
229 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>229 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
230 <div·class="textblock"><p·>Amber·bond·stretch·component·</p>230 <div·class="textblock"><p·>Amber·bond·stretch·component·</p>
  
231 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d46/a00890_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d7/d46/a00890_source.html">bendComponent.h</a>.</p>231 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d89/a00071_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d0/d89/a00071_source.html">bendComponent.h</a>.</p>
232 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>232 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
233 <a·id="a0a3421712788d9e226a15a521066c581"·name="a0a3421712788d9e226a15a521066c581"></a>233 <a·id="a0a3421712788d9e226a15a521066c581"·name="a0a3421712788d9e226a15a521066c581"></a>
234 <h2·class="memtitle"><span·class="permalink"><a·href="#a0a3421712788d9e226a15a521066c581">&#9670;&nbsp;</a></span>BendComponent()·<span·class="overload">[1/2]</span></h2>234 <h2·class="memtitle"><span·class="permalink"><a·href="#a0a3421712788d9e226a15a521066c581">&#9670;&nbsp;</a></span>BendComponent()·<span·class="overload">[1/2]</span></h2>
  
235 <div·class="memitem">235 <div·class="memitem">
236 <div·class="memproto">236 <div·class="memproto">
237 ······<table·class="memname">237 ······<table·class="memname">
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372 ··</td>372 ··</td>
373 ··<td·class="mlabels-right">373 ··<td·class="mlabels-right">
374 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>374 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
375 ··</tr>375 ··</tr>
376 </table>376 </table>
377 </div><div·class="memdoc">377 </div><div·class="memdoc">
  
378 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d46/a00890_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d7/d46/a00890_source.html">bendComponent.h</a>.</p>378 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d89/a00071_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d0/d89/a00071_source.html">bendComponent.h</a>.</p>
  
379 </div>379 </div>
380 </div>380 </div>
381 <a·id="a991a4c9b610741d95d13026ff5bf9978"·name="a991a4c9b610741d95d13026ff5bf9978"></a>381 <a·id="a991a4c9b610741d95d13026ff5bf9978"·name="a991a4c9b610741d95d13026ff5bf9978"></a>
382 <h2·class="memtitle"><span·class="permalink"><a·href="#a991a4c9b610741d95d13026ff5bf9978">&#9670;&nbsp;</a></span>bend_parameters_</h2>382 <h2·class="memtitle"><span·class="permalink"><a·href="#a991a4c9b610741d95d13026ff5bf9978">&#9670;&nbsp;</a></span>bend_parameters_</h2>
  
383 <div·class="memitem">383 <div·class="memitem">
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396 ··</td>396 ··</td>
397 ··<td·class="mlabels-right">397 ··<td·class="mlabels-right">
398 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>398 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
399 ··</tr>399 ··</tr>
400 </table>400 </table>
401 </div><div·class="memdoc">401 </div><div·class="memdoc">
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_bdf615705158bdb9ef48f1578bccfd92.html">PYTHON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>
65 </div>65 </div>
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68 ··<div·class="summary">68 ··<div·class="summary">
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71 ··<div·class="headertitle"><div·class="title">pyKernel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">templates.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
75 <code>#include·&lt;Python.h&gt;</code><br·/>76 <code>#include·&lt;BALL/DATATYPE/hashset.h&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
76 <code>#include·&lt;map&gt;</code><br·/> 
77 <code>#include·&lt;string&gt;</code><br·/> 
78 <code>#include·&lt;utility&gt;</code><br·/> 
79 </div>78 </div>
80 <p><a·href="../../d7/dce/a00143_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d7/dce/a00143_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls">80 <table·class="memberdecls">
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
83 Classes</h2></td></tr>82 Classes</h2></td></tr>
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d20/a05586.html">BALL::PyKernel</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/db8/a05450.html">BALL::Templates</a></td></tr>
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88 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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70 <a·href="../../d8/d36/a05763.html">List·of·all·members</a>··</div>70 <a·href="../../d8/d36/a05763.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::LogitModel·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::LogitModel·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d7/deb/a02090_source.html">BALL/QSAR/logitModel.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d9/d10/a00449_source.html">BALL/QSAR/logitModel.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::QSAR::LogitModel:</div>76 Inheritance·diagram·for·BALL::QSAR::LogitModel:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d7/dce/a05766.png"·usemap="#BALL::QSAR::LogitModel_map"·alt=""/>79 ··<img·src="../../d7/dce/a05766.png"·usemap="#BALL::QSAR::LogitModel_map"·alt=""/>
80 ··<map·id="BALL::QSAR::LogitModel_map"·name="BALL::QSAR::LogitModel_map">80 ··<map·id="BALL::QSAR::LogitModel_map"·name="BALL::QSAR::LogitModel_map">
81 <area·href="../../d4/dff/a05618.html"·alt="BALL::QSAR::ClassificationModel"·shape="rect"·coords="0,56,200,80"/>81 <area·href="../../d4/dff/a05618.html"·alt="BALL::QSAR::ClassificationModel"·shape="rect"·coords="0,56,200,80"/>
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242 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>242 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>
243 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>243 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
244 </table>244 </table>
245 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>245 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
246 <div·class="textblock"><p·>class·for·logistic·regression·</p>246 <div·class="textblock"><p·>class·for·logistic·regression·</p>
  
247 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/deb/a02090_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d7/deb/a02090_source.html">logitModel.h</a>.</p>247 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d10/a00449_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d9/d10/a00449_source.html">logitModel.h</a>.</p>
248 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>248 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
249 <a·id="a083b6091575a56ac8ba813185aaac4db"·name="a083b6091575a56ac8ba813185aaac4db"></a>249 <a·id="a083b6091575a56ac8ba813185aaac4db"·name="a083b6091575a56ac8ba813185aaac4db"></a>
250 <h2·class="memtitle"><span·class="permalink"><a·href="#a083b6091575a56ac8ba813185aaac4db">&#9670;&nbsp;</a></span>LogitModel()</h2>250 <h2·class="memtitle"><span·class="permalink"><a·href="#a083b6091575a56ac8ba813185aaac4db">&#9670;&nbsp;</a></span>LogitModel()</h2>
  
251 <div·class="memitem">251 <div·class="memitem">
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437 ··</tr>437 ··</tr>
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444 <!--·start·footer·part·-->444 <!--·start·footer·part·-->
445 <hr·class="footer"/><address·class="footer"><small>445 <hr·class="footer"/><address·class="footer"><small>
446 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4446 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_f03d71dde2003b483dd9e4436a4b37e3.html">MMFF94</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#define-members">Macros</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">MMFF94OutOfPlaneBend.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">XYZFile.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d17/a00872_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../dc/d2c/a00893_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../df/d88/a00962_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code><br·/> 
78 </div>75 </div>
79 <p><a·href="../../d7/dd4/a00968_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d7/dd4/a00968_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">77 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>79 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d63/a05242.html">BALL::MMFF94OutOfPlaneBend</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dc6/a04462.html">BALL::XYZFile</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dbd/a05246.html">BALL::MMFF94OutOfPlaneBend::OutOfPlaneBend</a></td></tr> 
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89 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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92 </table><table·class="memberdecls"> 
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
94 Macros</h2></td></tr> 
95 <tr·class="memitem:a33232c08498db9a54da0c3017b2bcccc"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dd4/a00968.html#a33232c08498db9a54da0c3017b2bcccc">MMFF94_OUTOFPLANE_ENABLED</a>&#160;&#160;&#160;&quot;enable·OutOfPlane&quot;</td></tr> 
96 <tr·class="memdesc:a33232c08498db9a54da0c3017b2bcccc"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·OutOfPlane··<a·href="../../d7/dd4/a00968.html#a33232c08498db9a54da0c3017b2bcccc">More...</a><br·/></td></tr> 
97 <tr·class="separator:a33232c08498db9a54da0c3017b2bcccc"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 </table>87 </table>
99 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
100 <a·id="a33232c08498db9a54da0c3017b2bcccc"·name="a33232c08498db9a54da0c3017b2bcccc"></a> 
101 <h2·class="memtitle"><span·class="permalink"><a·href="#a33232c08498db9a54da0c3017b2bcccc">&#9670;&nbsp;</a></span>MMFF94_OUTOFPLANE_ENABLED</h2> 
  
102 <div·class="memitem"> 
103 <div·class="memproto"> 
104 ······<table·class="memname"> 
105 ········<tr> 
106 ··········<td·class="memname">#define·MMFF94_OUTOFPLANE_ENABLED&#160;&#160;&#160;&quot;enable·OutOfPlane&quot;</td> 
107 ········</tr> 
108 ······</table> 
109 </div><div·class="memdoc"> 
  
110 <p>flag·to·enable·OutOfPlane·</p> 
  
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dd4/a00968_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d7/dd4/a00968_source.html">MMFF94OutOfPlaneBend.h</a>.</p> 
  
112 </div> 
113 </div> 
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="#namespaces">Namespaces</a>··</div>71 <a·href="#namespaces">Namespaces</a>··</div>
72 ··<div·class="headertitle"><div·class="title">QSAR/kernel.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">QSAR/kernel.h·File·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d0a/a02015_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d27/a00392_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d6/d94/a02033_source.html">BALL/QSAR/Model.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d7/d5e/a00467_source.html">BALL/QSAR/Model.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../db/d51/a20335_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/>
78 <code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/QSAR/regressionModel.h</a>&gt;</code><br·/>78 <code>#include·&lt;<a·class="el"·href="../../de/df8/a00440_source.html">BALL/QSAR/regressionModel.h</a>&gt;</code><br·/>
79 <code>#include·&lt;cmath&gt;</code><br·/>79 <code>#include·&lt;cmath&gt;</code><br·/>
80 <code>#include·&lt;sstream&gt;</code><br·/>80 <code>#include·&lt;sstream&gt;</code><br·/>
81 </div>81 </div>
82 <p><a·href="../../d7/dd7/a20338_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../d7/dd7/a20338_source.html">Go·to·the·source·code·of·this·file.</a></p>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_0f44562fa0092558829ef2f34049a706.html">MODELS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">HBondModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">dockResultDialog.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d61/a01205_source.html">BALL/VIEW/MODELS/atomBondModelBaseProcessor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d9/d10/a01103_source.html">BALL/VIEW/WIDGETS/dockingController.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;BALL/VIEW/UIC/ui_dockResultDialog.h&gt;</code><br·/>
75 </div>77 </div>
76 <p><a·href="../../d7/ddd/a01223_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d7/ddd/a01223_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">79 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>81 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d07/a08058.html">BALL::VIEW::HBondModelProcessor</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d2f/a07578.html">BALL::VIEW::DockResultDialog</a></td></tr>
 83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dd7/a07582.html">BALL::VIEW::DockResultDialog::Compare_</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">86 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
84 Namespaces</h2></td></tr>88 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>91 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d7/d33/a05659.html">List·of·all·members</a>··</div>70 <a·href="../../d7/d33/a05659.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::BalabanIndexJ·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::BalabanIndexJ·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d4/d93/a01955_source.html">BALL/QSAR/connectivityDescriptors.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d8/d21/a00368_source.html">BALL/QSAR/connectivityDescriptors.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::BalabanIndexJ:</div>76 Inheritance·diagram·for·BALL::BalabanIndexJ:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d7/dde/a05662.png"·usemap="#BALL::BalabanIndexJ_map"·alt=""/>79 ··<img·src="../../d7/dde/a05662.png"·usemap="#BALL::BalabanIndexJ_map"·alt=""/>
80 ··<map·id="BALL::BalabanIndexJ_map"·name="BALL::BalabanIndexJ_map">80 ··<map·id="BALL::BalabanIndexJ_map"·name="BALL::BalabanIndexJ_map">
81 <area·href="../../d1/d96/a05654.html"·alt="BALL::ConnectivityBase"·shape="rect"·coords="0,168,341,192"/>81 <area·href="../../d1/d96/a05654.html"·alt="BALL::ConnectivityBase"·shape="rect"·coords="0,168,341,192"/>
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172 <tr·class="separator:a3bf161323d865a8bb1638045f02c454b·inherit·pro_methods_a05654"><td·class="memSeparator"·colspan="2">&#160;</td></tr>172 <tr·class="separator:a3bf161323d865a8bb1638045f02c454b·inherit·pro_methods_a05654"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
173 <tr·class="inherit_header·pro_methods_a05666"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a05666')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../da/d64/a05666.html">BALL::Descriptor</a></td></tr>173 <tr·class="inherit_header·pro_methods_a05666"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a05666')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../da/d64/a05666.html">BALL::Descriptor</a></td></tr>
174 </table>174 </table>
175 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>175 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
176 <div·class="textblock"><p·>The·Balaban·index·J·is·topological·index.·It·is·calculated·using·the·distance·matrix·with·weighted·edges·of·the·molecular·graph:·1·for·single·bonds,·$\frac{1}{2}$·for·double·bonds,·$\frac{1}{3}$·for·triple·bonds·and·$\frac{2}{3}$·for·aromatic·bonds.·<br··/>176 <div·class="textblock"><p·>The·Balaban·index·J·is·topological·index.·It·is·calculated·using·the·distance·matrix·with·weighted·edges·of·the·molecular·graph:·1·for·single·bonds,·$\frac{1}{2}$·for·double·bonds,·$\frac{1}{3}$·for·triple·bonds·and·$\frac{2}{3}$·for·aromatic·bonds.·<br··/>
177 ·(·J·=·\frac{q}{(q-n+2)}·\cdot·\sum_{\text{adjac.}i,j}·(s_i,s_j)^{-\frac{1}{2}}·),·$s_i$·and·$s_j$·denotes·the·row·sum·of·the·distance·matrix·of·atom·$i$·and·$j$.·</p>177 ·(·J·=·\frac{q}{(q-n+2)}·\cdot·\sum_{\text{adjac.}i,j}·(s_i,s_j)^{-\frac{1}{2}}·),·$s_i$·and·$s_j$·denotes·the·row·sum·of·the·distance·matrix·of·atom·$i$·and·$j$.·</p>
  
178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">connectivityDescriptors.h</a>.</p>178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d21/a00368_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d8/d21/a00368_source.html">connectivityDescriptors.h</a>.</p>
179 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>179 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
180 <a·id="ad0d6204a4414e4757b36a48a25a1d72e"·name="ad0d6204a4414e4757b36a48a25a1d72e"></a>180 <a·id="ad0d6204a4414e4757b36a48a25a1d72e"·name="ad0d6204a4414e4757b36a48a25a1d72e"></a>
181 <h2·class="memtitle"><span·class="permalink"><a·href="#ad0d6204a4414e4757b36a48a25a1d72e">&#9670;&nbsp;</a></span>BalabanIndexJ()·<span·class="overload">[1/2]</span></h2>181 <h2·class="memtitle"><span·class="permalink"><a·href="#ad0d6204a4414e4757b36a48a25a1d72e">&#9670;&nbsp;</a></span>BalabanIndexJ()·<span·class="overload">[1/2]</span></h2>
  
182 <div·class="memitem">182 <div·class="memitem">
183 <div·class="memproto">183 <div·class="memproto">
184 ······<table·class="memname">184 ······<table·class="memname">
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70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../d1/dc8/a03895.html">List·of·all·members</a>··</div>71 <a·href="../../d1/dc8/a03895.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::GAMESSDatFile::State·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::GAMESSDatFile::State·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dd/d32/a00041_source.html">BALL/FORMAT/GAMESSDatFile.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d3/de5/a00956_source.html">BALL/FORMAT/GAMESSDatFile.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a7e1c333a906fc27a309c4270f13e8271"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/df3/a03890.html">GAMESSDatFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/ddf/a03898.html#a7e1c333a906fc27a309c4270f13e8271">current_parser</a></td></tr>79 <tr·class="memitem:a7e1c333a906fc27a309c4270f13e8271"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/df3/a03890.html">GAMESSDatFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/ddf/a03898.html#a7e1c333a906fc27a309c4270f13e8271">current_parser</a></td></tr>
80 <tr·class="separator:a7e1c333a906fc27a309c4270f13e8271"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a7e1c333a906fc27a309c4270f13e8271"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 </table>81 </table>
82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock"><p·><a·class="el"·href="../../d7/ddf/a03898.html">State</a>·of·the·parser·</p>83 <div·class="textblock"><p·><a·class="el"·href="../../d7/ddf/a03898.html">State</a>·of·the·parser·</p>
  
84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d32/a00041_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../dd/d32/a00041_source.html">GAMESSDatFile.h</a>.</p>84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">GAMESSDatFile.h</a>.</p>
85 </div><h2·class="groupheader">Member·Data·Documentation</h2>85 </div><h2·class="groupheader">Member·Data·Documentation</h2>
86 <a·id="a7e1c333a906fc27a309c4270f13e8271"·name="a7e1c333a906fc27a309c4270f13e8271"></a>86 <a·id="a7e1c333a906fc27a309c4270f13e8271"·name="a7e1c333a906fc27a309c4270f13e8271"></a>
87 <h2·class="memtitle"><span·class="permalink"><a·href="#a7e1c333a906fc27a309c4270f13e8271">&#9670;&nbsp;</a></span>current_parser</h2>87 <h2·class="memtitle"><span·class="permalink"><a·href="#a7e1c333a906fc27a309c4270f13e8271">&#9670;&nbsp;</a></span>current_parser</h2>
  
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92 ··········<td·class="memname"><a·class="el"·href="../../d2/df3/a03890.html">GAMESSDatFile</a>*·BALL::GAMESSDatFile::State::current_parser</td>92 ··········<td·class="memname"><a·class="el"·href="../../d2/df3/a03890.html">GAMESSDatFile</a>*·BALL::GAMESSDatFile::State::current_parser</td>
93 ········</tr>93 ········</tr>
94 ······</table>94 ······</table>
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96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d32/a00041_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../dd/d32/a00041_source.html">GAMESSDatFile.h</a>.</p>96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">GAMESSDatFile.h</a>.</p>
  
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../db/dc1/a04671.html">List·of·all·members</a>··</div>71 <a·href="../../db/dc1/a04671.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ProteinPredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ProteinPredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::ProteinPredicate:</div>77 Inheritance·diagram·for·BALL::ProteinPredicate:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d7/de4/a04674.png"·usemap="#BALL::ProteinPredicate_map"·alt=""/>80 ··<img·src="../../d7/de4/a04674.png"·usemap="#BALL::ProteinPredicate_map"·alt=""/>
81 ··<map·id="BALL::ProteinPredicate_map"·name="BALL::ProteinPredicate_map">81 ··<map·id="BALL::ProteinPredicate_map"·name="BALL::ProteinPredicate_map">
82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Predicate·for·matching·proteins.·Returns·<code>true</code>,·if·the·name·of·the·protein·that·the·atom·belongs·to·matches·exactly·the·argument·of·this·predicate.·</p>122 <div·class="textblock"><p·>Predicate·for·matching·proteins.·Returns·<code>true</code>,·if·the·name·of·the·protein·that·the·atom·belongs·to·matches·exactly·the·argument·of·this·predicate.·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00188">188</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00188">188</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
125 <a·id="a281af88c9d62ec2a68f383f3b6dbc6c8"·name="a281af88c9d62ec2a68f383f3b6dbc6c8"></a>125 <a·id="a281af88c9d62ec2a68f383f3b6dbc6c8"·name="a281af88c9d62ec2a68f383f3b6dbc6c8"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a281af88c9d62ec2a68f383f3b6dbc6c8">&#9670;&nbsp;</a></span>operator()()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a281af88c9d62ec2a68f383f3b6dbc6c8">&#9670;&nbsp;</a></span>operator()()</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
128 <div·class="memproto">128 <div·class="memproto">
129 <table·class="mlabels">129 <table·class="mlabels">
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8 <title>BALL:·logitModel.h·File·Reference</title>8 <title>BALL:·CHPISlick.h·File·Reference</title>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">logitModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">CHPISlick.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d1e/a02093_source.html">BALL/QSAR/classificationModel.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
75 </div>77 </div>
76 <p><a·href="../../d7/deb/a02090_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d7/deb/a02090_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">79 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>81 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dce/a05766.html">BALL::QSAR::LogitModel</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d93/a06246.html">BALL::CHPISlick</a></td></tr>
 83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9a/a06250.html">BALL::CHPISlick::AromaticRing</a></td></tr>
 85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3a/a06254.html">BALL::CHPISlick::CHGroup</a></td></tr>
 87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd2/a06258.html">BALL::CHPISlick::Option</a></td></tr>
 89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d8a/a06262.html">BALL::CHPISlick::Default</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">92 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
84 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
89 </table>97 </table>
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8 <title>BALL:·gridAnalysis.h·File·Reference</title>8 <title>BALL:·expressionParser.h·File·Reference</title>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
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67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">gridAnalysis.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">expressionParser.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d42/a00575_source.html">BALL/KERNEL/expressionTree.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/d29/a01895_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;map&gt;</code><br·/> 
77 </div>75 </div>
78 <p><a·href="../../d7/def/a00521_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d7/def/a00521_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">77 <table·class="memberdecls">
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82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d35/a03670.html">BALL::GridAnalysis</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dba/a04510.html">BALL::ExpressionParser::SyntaxTree</a></td></tr>
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 84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d24/a04514.html">BALL::ExpressionParser::State</a></td></tr>
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86 Namespaces</h2></td></tr>88 Namespaces</h2></td></tr>
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71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
73 <a·href="../../d0/d3f/a06975.html">List·of·all·members</a>··</div>73 <a·href="../../d0/d3f/a06975.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::MolecularSimilarity·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::MolecularSimilarity·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d2/d4a/a00758_source.html">BALL/STRUCTURE/molecularSimilarity.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/STRUCTURE/molecularSimilarity.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
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80 Public·Member·Functions</h2></td></tr>80 Public·Member·Functions</h2></td></tr>
81 <tr·class="memitem:a8c88d7cd40c42b3cd5183307d7fad222"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df3/a06978.html#a8c88d7cd40c42b3cd5183307d7fad222">MolecularSimilarity</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·smarts_file)</td></tr>81 <tr·class="memitem:a8c88d7cd40c42b3cd5183307d7fad222"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df3/a06978.html#a8c88d7cd40c42b3cd5183307d7fad222">MolecularSimilarity</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·smarts_file)</td></tr>
82 <tr·class="separator:a8c88d7cd40c42b3cd5183307d7fad222"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a8c88d7cd40c42b3cd5183307d7fad222"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:af4b222732271863f119a1538b82a3eac"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df3/a06978.html#af4b222732271863f119a1538b82a3eac">generateFingerprints</a>·(<a·class="el"·href="../../de/d04/a04774.html">System</a>·&amp;<a·class="el"·href="../../da/da2/a02217.html#a74fc04919e3599bd242e353c7f4a6ae1">molecules</a>,·vector&lt;·vector&lt;·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·&gt;·&gt;·&amp;fingerprints)</td></tr>83 <tr·class="memitem:af4b222732271863f119a1538b82a3eac"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df3/a06978.html#af4b222732271863f119a1538b82a3eac">generateFingerprints</a>·(<a·class="el"·href="../../de/d04/a04774.html">System</a>·&amp;<a·class="el"·href="../../da/da2/a02217.html#a74fc04919e3599bd242e353c7f4a6ae1">molecules</a>,·vector&lt;·vector&lt;·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·&gt;·&gt;·&amp;fingerprints)</td></tr>
84 <tr·class="separator:af4b222732271863f119a1538b82a3eac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:af4b222732271863f119a1538b82a3eac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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116 <tr·class="memitem:a06a079aff7034076e127743abe169d2b"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df3/a06978.html#a06a079aff7034076e127743abe169d2b">smart_names_</a></td></tr>116 <tr·class="memitem:a06a079aff7034076e127743abe169d2b"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df3/a06978.html#a06a079aff7034076e127743abe169d2b">smart_names_</a></td></tr>
117 <tr·class="separator:a06a079aff7034076e127743abe169d2b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>117 <tr·class="separator:a06a079aff7034076e127743abe169d2b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
118 <tr·class="memitem:a0c4310ad27c1b208606fac5e8d822630"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/d8d/a07202.html">SmartsMatcher</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df3/a06978.html#a0c4310ad27c1b208606fac5e8d822630">matcher_</a></td></tr>118 <tr·class="memitem:a0c4310ad27c1b208606fac5e8d822630"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/d8d/a07202.html">SmartsMatcher</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df3/a06978.html#a0c4310ad27c1b208606fac5e8d822630">matcher_</a></td></tr>
119 <tr·class="separator:a0c4310ad27c1b208606fac5e8d822630"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a0c4310ad27c1b208606fac5e8d822630"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock">122 <div·class="textblock">
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d4a/a00758_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d2/d4a/a00758_source.html">molecularSimilarity.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5b/a01841_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d2/d5b/a01841_source.html">molecularSimilarity.h</a>.</p>
124 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>124 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
125 <a·id="a8c88d7cd40c42b3cd5183307d7fad222"·name="a8c88d7cd40c42b3cd5183307d7fad222"></a>125 <a·id="a8c88d7cd40c42b3cd5183307d7fad222"·name="a8c88d7cd40c42b3cd5183307d7fad222"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a8c88d7cd40c42b3cd5183307d7fad222">&#9670;&nbsp;</a></span>MolecularSimilarity()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a8c88d7cd40c42b3cd5183307d7fad222">&#9670;&nbsp;</a></span>MolecularSimilarity()</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
128 <div·class="memproto">128 <div·class="memproto">
129 ······<table·class="memname">129 ······<table·class="memname">
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495 ··</td>495 ··</td>
496 ··<td·class="mlabels-right">496 ··<td·class="mlabels-right">
497 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>497 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
498 ··</tr>498 ··</tr>
499 </table>499 </table>
500 </div><div·class="memdoc">500 </div><div·class="memdoc">
  
501 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d4a/a00758_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../d2/d4a/a00758_source.html">molecularSimilarity.h</a>.</p>501 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5b/a01841_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../d2/d5b/a01841_source.html">molecularSimilarity.h</a>.</p>
  
502 </div>502 </div>
503 </div>503 </div>
504 <a·id="a0c4310ad27c1b208606fac5e8d822630"·name="a0c4310ad27c1b208606fac5e8d822630"></a>504 <a·id="a0c4310ad27c1b208606fac5e8d822630"·name="a0c4310ad27c1b208606fac5e8d822630"></a>
505 <h2·class="memtitle"><span·class="permalink"><a·href="#a0c4310ad27c1b208606fac5e8d822630">&#9670;&nbsp;</a></span>matcher_</h2>505 <h2·class="memtitle"><span·class="permalink"><a·href="#a0c4310ad27c1b208606fac5e8d822630">&#9670;&nbsp;</a></span>matcher_</h2>
  
506 <div·class="memitem">506 <div·class="memitem">
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519 ··</td>519 ··</td>
520 ··<td·class="mlabels-right">520 ··<td·class="mlabels-right">
521 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>521 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
522 ··</tr>522 ··</tr>
523 </table>523 </table>
524 </div><div·class="memdoc">524 </div><div·class="memdoc">
  
525 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d4a/a00758_source.html#l00088">88</a>·of·file·<a·class="el"·href="../../d2/d4a/a00758_source.html">molecularSimilarity.h</a>.</p>525 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5b/a01841_source.html#l00088">88</a>·of·file·<a·class="el"·href="../../d2/d5b/a01841_source.html">molecularSimilarity.h</a>.</p>
  
526 </div>526 </div>
527 </div>527 </div>
528 <a·id="a06a079aff7034076e127743abe169d2b"·name="a06a079aff7034076e127743abe169d2b"></a>528 <a·id="a06a079aff7034076e127743abe169d2b"·name="a06a079aff7034076e127743abe169d2b"></a>
529 <h2·class="memtitle"><span·class="permalink"><a·href="#a06a079aff7034076e127743abe169d2b">&#9670;&nbsp;</a></span>smart_names_</h2>529 <h2·class="memtitle"><span·class="permalink"><a·href="#a06a079aff7034076e127743abe169d2b">&#9670;&nbsp;</a></span>smart_names_</h2>
  
530 <div·class="memitem">530 <div·class="memitem">
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543 ··</td>543 ··</td>
544 ··<td·class="mlabels-right">544 ··<td·class="mlabels-right">
545 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>545 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
546 ··</tr>546 ··</tr>
547 </table>547 </table>
548 </div><div·class="memdoc">548 </div><div·class="memdoc">
  
549 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d4a/a00758_source.html#l00086">86</a>·of·file·<a·class="el"·href="../../d2/d4a/a00758_source.html">molecularSimilarity.h</a>.</p>549 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5b/a01841_source.html#l00086">86</a>·of·file·<a·class="el"·href="../../d2/d5b/a01841_source.html">molecularSimilarity.h</a>.</p>
  
550 </div>550 </div>
551 </div>551 </div>
552 <a·id="a1d0c47024035ad9730ae7aa8707d4602"·name="a1d0c47024035ad9730ae7aa8707d4602"></a>552 <a·id="a1d0c47024035ad9730ae7aa8707d4602"·name="a1d0c47024035ad9730ae7aa8707d4602"></a>
553 <h2·class="memtitle"><span·class="permalink"><a·href="#a1d0c47024035ad9730ae7aa8707d4602">&#9670;&nbsp;</a></span>smarts_</h2>553 <h2·class="memtitle"><span·class="permalink"><a·href="#a1d0c47024035ad9730ae7aa8707d4602">&#9670;&nbsp;</a></span>smarts_</h2>
  
554 <div·class="memitem">554 <div·class="memitem">
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567 ··</td>567 ··</td>
568 ··<td·class="mlabels-right">568 ··<td·class="mlabels-right">
569 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>569 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
570 ··</tr>570 ··</tr>
571 </table>571 </table>
572 </div><div·class="memdoc">572 </div><div·class="memdoc">
  
573 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d4a/a00758_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../d2/d4a/a00758_source.html">molecularSimilarity.h</a>.</p>573 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5b/a01841_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../d2/d5b/a01841_source.html">molecularSimilarity.h</a>.</p>
  
574 </div>574 </div>
575 </div>575 </div>
576 </div><!--·contents·-->576 </div><!--·contents·-->
577 <!--·start·footer·part·-->577 <!--·start·footer·part·-->
578 <hr·class="footer"/><address·class="footer"><small>578 <hr·class="footer"/><address·class="footer"><small>
579 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4579 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../d4/d5f/a08399.html">List·of·all·members</a>··</div>72 <a·href="../../d4/d5f/a08399.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MyTextBrowser·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MyTextBrowser·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../de/d1a/a01559_source.html">BALL/VIEW/WIDGETS/helpViewer.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d2/df3/a01085_source.html">BALL/VIEW/WIDGETS/helpViewer.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::MyTextBrowser:</div>78 Inheritance·diagram·for·BALL::VIEW::MyTextBrowser:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d7/df7/a08402.png"·usemap="#BALL::VIEW::MyTextBrowser_map"·alt=""/>81 ··<img·src="../../d7/df7/a08402.png"·usemap="#BALL::VIEW::MyTextBrowser_map"·alt=""/>
82 ··<map·id="BALL::VIEW::MyTextBrowser_map"·name="BALL::VIEW::MyTextBrowser_map">82 ··<map·id="BALL::VIEW::MyTextBrowser_map"·name="BALL::VIEW::MyTextBrowser_map">
83 <area·href="../../db/d2e/a20134.html"·alt="QTextBrowser"·shape="rect"·coords="0,0,174,24"/>83 <area·href="../../db/d2e/a20134.html"·alt="QTextBrowser"·shape="rect"·coords="0,0,174,24"/>
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96 <tr·class="separator:add718bd5274bdfeb3d4993d2c605cc1d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:add718bd5274bdfeb3d4993d2c605cc1d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 <tr·class="memitem:a838fdd94e9bb0af071fd114c150da3a1"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df7/a08402.html#a838fdd94e9bb0af071fd114c150da3a1">backward_</a></td></tr>97 <tr·class="memitem:a838fdd94e9bb0af071fd114c150da3a1"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df7/a08402.html#a838fdd94e9bb0af071fd114c150da3a1">backward_</a></td></tr>
98 <tr·class="separator:a838fdd94e9bb0af071fd114c150da3a1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:a838fdd94e9bb0af071fd114c150da3a1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>99 </table>
100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
101 <div·class="textblock"><dl·class="deprecated"><dt><b><a·class="el"·href="../../db/d34/a02118.html#_deprecated000023">Deprecated:</a></b></dt><dd>Help·system·has·been·removed.·This·class·will·also·be·removed·in·the·next·release.·</dd></dl>101 <div·class="textblock"><dl·class="deprecated"><dt><b><a·class="el"·href="../../db/d34/a02118.html#_deprecated000023">Deprecated:</a></b></dt><dd>Help·system·has·been·removed.·This·class·will·also·be·removed·in·the·next·release.·</dd></dl>
  
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1a/a01559_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../de/d1a/a01559_source.html">helpViewer.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/df3/a01085_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d2/df3/a01085_source.html">helpViewer.h</a>.</p>
103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
104 <a·id="a263107838c9852b78d468d6999e0032b"·name="a263107838c9852b78d468d6999e0032b"></a>104 <a·id="a263107838c9852b78d468d6999e0032b"·name="a263107838c9852b78d468d6999e0032b"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#a263107838c9852b78d468d6999e0032b">&#9670;&nbsp;</a></span>MyTextBrowser()</h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#a263107838c9852b78d468d6999e0032b">&#9670;&nbsp;</a></span>MyTextBrowser()</h2>
  
106 <div·class="memitem">106 <div·class="memitem">
107 <div·class="memproto">107 <div·class="memproto">
108 ······<table·class="memname">108 ······<table·class="memname">
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147 ··</td>147 ··</td>
148 ··<td·class="mlabels-right">148 ··<td·class="mlabels-right">
149 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>149 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
150 ··</tr>150 ··</tr>
151 </table>151 </table>
152 </div><div·class="memdoc">152 </div><div·class="memdoc">
  
153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1a/a01559_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../de/d1a/a01559_source.html">helpViewer.h</a>.</p>153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/df3/a01085_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d2/df3/a01085_source.html">helpViewer.h</a>.</p>
  
154 </div>154 </div>
155 </div>155 </div>
156 <a·id="add718bd5274bdfeb3d4993d2c605cc1d"·name="add718bd5274bdfeb3d4993d2c605cc1d"></a>156 <a·id="add718bd5274bdfeb3d4993d2c605cc1d"·name="add718bd5274bdfeb3d4993d2c605cc1d"></a>
157 <h2·class="memtitle"><span·class="permalink"><a·href="#add718bd5274bdfeb3d4993d2c605cc1d">&#9670;&nbsp;</a></span>forward_</h2>157 <h2·class="memtitle"><span·class="permalink"><a·href="#add718bd5274bdfeb3d4993d2c605cc1d">&#9670;&nbsp;</a></span>forward_</h2>
  
158 <div·class="memitem">158 <div·class="memitem">
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171 ··</td>171 ··</td>
172 ··<td·class="mlabels-right">172 ··<td·class="mlabels-right">
173 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>173 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
174 ··</tr>174 ··</tr>
175 </table>175 </table>
176 </div><div·class="memdoc">176 </div><div·class="memdoc">
  
177 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1a/a01559_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../de/d1a/a01559_source.html">helpViewer.h</a>.</p>177 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/df3/a01085_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d2/df3/a01085_source.html">helpViewer.h</a>.</p>
  
178 </div>178 </div>
179 </div>179 </div>
180 </div><!--·contents·-->180 </div><!--·contents·-->
181 <!--·start·footer·part·-->181 <!--·start·footer·part·-->
182 <hr·class="footer"/><address·class="footer"><small>182 <hr·class="footer"/><address·class="footer"><small>
183 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4183 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="#pro-slots">Protected·Slots</a>·&#124;72 <a·href="#pro-slots">Protected·Slots</a>·&#124;
73 <a·href="../../da/d9a/a07655.html">List·of·all·members</a>··</div>73 <a·href="../../da/d9a/a07655.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MolecularDynamicsDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MolecularDynamicsDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d4/d20/a01421_source.html">BALL/VIEW/DIALOGS/molecularDynamicsDialog.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d7/daf/a01169_source.html">BALL/VIEW/DIALOGS/molecularDynamicsDialog.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::VIEW::MolecularDynamicsDialog:</div>79 Inheritance·diagram·for·BALL::VIEW::MolecularDynamicsDialog:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d7/df8/a07658.png"·usemap="#BALL::VIEW::MolecularDynamicsDialog_map"·alt=""/>82 ··<img·src="../../d7/df8/a07658.png"·usemap="#BALL::VIEW::MolecularDynamicsDialog_map"·alt=""/>
83 ··<map·id="BALL::VIEW::MolecularDynamicsDialog_map"·name="BALL::VIEW::MolecularDynamicsDialog_map">83 ··<map·id="BALL::VIEW::MolecularDynamicsDialog_map"·name="BALL::VIEW::MolecularDynamicsDialog_map">
84 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,234,24"/>84 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,234,24"/>
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232 <tr·class="memitem:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d3d/a07926.html#a257b5f0e49b1f24294c315d4d7363693">StackPages</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ab7942bdf4c88f10d41eec3aa452bbed5">stack_pages_</a></td></tr>232 <tr·class="memitem:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d3d/a07926.html#a257b5f0e49b1f24294c315d4d7363693">StackPages</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ab7942bdf4c88f10d41eec3aa452bbed5">stack_pages_</a></td></tr>
233 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>233 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
234 </table>234 </table>
235 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>235 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
236 <div·class="textblock"><p·>Dialog·for·performing·MD·simulations·</p>236 <div·class="textblock"><p·>Dialog·for·performing·MD·simulations·</p>
  
237 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d20/a01421_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d4/d20/a01421_source.html">molecularDynamicsDialog.h</a>.</p>237 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/daf/a01169_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d7/daf/a01169_source.html">molecularDynamicsDialog.h</a>.</p>
238 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>238 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
239 <a·id="a954c7f16bfd7becb2f5f1127e6b75d8d"·name="a954c7f16bfd7becb2f5f1127e6b75d8d"></a>239 <a·id="a954c7f16bfd7becb2f5f1127e6b75d8d"·name="a954c7f16bfd7becb2f5f1127e6b75d8d"></a>
240 <h2·class="memtitle"><span·class="permalink"><a·href="#a954c7f16bfd7becb2f5f1127e6b75d8d">&#9670;&nbsp;</a></span>MolecularDynamicsDialog()</h2>240 <h2·class="memtitle"><span·class="permalink"><a·href="#a954c7f16bfd7becb2f5f1127e6b75d8d">&#9670;&nbsp;</a></span>MolecularDynamicsDialog()</h2>
  
241 <div·class="memitem">241 <div·class="memitem">
242 <div·class="memproto">242 <div·class="memproto">
243 ······<table·class="memname">243 ······<table·class="memname">
⊟
5.09 KB
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8 <title>BALL:·sphere.h·File·Reference</title>8 <title>BALL:·vertexBuffer.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
59 ········name="MSearchResults"·id="MSearchResults">59 ········name="MSearchResults"·id="MSearchResults">
60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">sphere.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">vertexBuffer.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d27/a01043_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/d09/a01838_source.html">BALL/MATHS/sphere3.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>
76 </div>77 </div>
77 <p><a·href="../../d7/dfd/a01439_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d7/dfd/a01439_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">79 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>81 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d03/a08202.html">BALL::VIEW::Sphere</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d4f/a08358.html">BALL::VIEW::MeshBuffer</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table><table·class="memberdecls">84 </table><table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
85 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../d2/d67/a03455.html">List·of·all·members</a>··</div>72 <a·href="../../d2/d67/a03455.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::TreeWidth&lt;·UndirectedGraph·&gt;::ComponentFilter_&lt;·ComponentMap·&gt;·Class·Template·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::TreeWidth&lt;·UndirectedGraph·&gt;::ComponentFilter_&lt;·ComponentMap·&gt;·Class·Template·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../de/dca/a01907_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a936326065567fc61a11283ce1c766afe"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d01/a03458.html#a936326065567fc61a11283ce1c766afe">ComponentFilter_</a>·(ComponentMap·cm,·<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·i)</td></tr>80 <tr·class="memitem:a936326065567fc61a11283ce1c766afe"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d01/a03458.html#a936326065567fc61a11283ce1c766afe">ComponentFilter_</a>·(ComponentMap·cm,·<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·i)</td></tr>
81 <tr·class="separator:a936326065567fc61a11283ce1c766afe"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a936326065567fc61a11283ce1c766afe"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:af958b2a42be092709915bbd50d24bb36"><td·class="memTemplParams"·colspan="2">template&lt;typename·<a·class="el"·href="../../db/d12/a07510.html">Vertex</a>·&gt;·</td></tr>82 <tr·class="memitem:af958b2a42be092709915bbd50d24bb36"><td·class="memTemplParams"·colspan="2">template&lt;typename·<a·class="el"·href="../../db/d12/a07510.html">Vertex</a>·&gt;·</td></tr>
83 <tr·class="memitem:af958b2a42be092709915bbd50d24bb36"><td·class="memTemplItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../d8/d01/a03458.html#af958b2a42be092709915bbd50d24bb36">operator()</a>·(const·<a·class="el"·href="../../db/d12/a07510.html">Vertex</a>·&amp;e)·const</td></tr>83 <tr·class="memitem:af958b2a42be092709915bbd50d24bb36"><td·class="memTemplItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../d8/d01/a03458.html#af958b2a42be092709915bbd50d24bb36">operator()</a>·(const·<a·class="el"·href="../../db/d12/a07510.html">Vertex</a>·&amp;e)·const</td></tr>
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91 <tr·class="memitem:a012b367e360afb7a32483416ff532a28"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d01/a03458.html#a012b367e360afb7a32483416ff532a28">component_</a></td></tr>91 <tr·class="memitem:a012b367e360afb7a32483416ff532a28"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d01/a03458.html#a012b367e360afb7a32483416ff532a28">component_</a></td></tr>
92 <tr·class="separator:a012b367e360afb7a32483416ff532a28"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:a012b367e360afb7a32483416ff532a28"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table>93 </table>
94 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>94 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
95 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·UndirectedGraph&gt;<br·/>95 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·UndirectedGraph&gt;<br·/>
96 template&lt;typename·ComponentMap&gt;<br·/>96 template&lt;typename·ComponentMap&gt;<br·/>
97 class·BALL::TreeWidth&lt;·UndirectedGraph·&gt;::ComponentFilter_&lt;·ComponentMap·&gt;</div>97 class·BALL::TreeWidth&lt;·UndirectedGraph·&gt;::ComponentFilter_&lt;·ComponentMap·&gt;</div>
98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">treeWidth.h</a>.</p>98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
99 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>99 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
100 <a·id="a936326065567fc61a11283ce1c766afe"·name="a936326065567fc61a11283ce1c766afe"></a>100 <a·id="a936326065567fc61a11283ce1c766afe"·name="a936326065567fc61a11283ce1c766afe"></a>
101 <h2·class="memtitle"><span·class="permalink"><a·href="#a936326065567fc61a11283ce1c766afe">&#9670;&nbsp;</a></span>ComponentFilter_()</h2>101 <h2·class="memtitle"><span·class="permalink"><a·href="#a936326065567fc61a11283ce1c766afe">&#9670;&nbsp;</a></span>ComponentFilter_()</h2>
  
102 <div·class="memitem">102 <div·class="memitem">
103 <div·class="memproto">103 <div·class="memproto">
104 <div·class="memtemplate">104 <div·class="memtemplate">
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131 ··</td>131 ··</td>
132 ··<td·class="mlabels-right">132 ··<td·class="mlabels-right">
133 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>133 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
134 ··</tr>134 ··</tr>
135 </table>135 </table>
136 </div><div·class="memdoc">136 </div><div·class="memdoc">
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00134">134</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">treeWidth.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00134">134</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
138 </div>138 </div>
139 </div>139 </div>
140 <h2·class="groupheader">Member·Function·Documentation</h2>140 <h2·class="groupheader">Member·Function·Documentation</h2>
141 <a·id="af958b2a42be092709915bbd50d24bb36"·name="af958b2a42be092709915bbd50d24bb36"></a>141 <a·id="af958b2a42be092709915bbd50d24bb36"·name="af958b2a42be092709915bbd50d24bb36"></a>
142 <h2·class="memtitle"><span·class="permalink"><a·href="#af958b2a42be092709915bbd50d24bb36">&#9670;&nbsp;</a></span>operator()()</h2>142 <h2·class="memtitle"><span·class="permalink"><a·href="#af958b2a42be092709915bbd50d24bb36">&#9670;&nbsp;</a></span>operator()()</h2>
  
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166 ··</td>166 ··</td>
167 ··<td·class="mlabels-right">167 ··<td·class="mlabels-right">
168 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>168 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
169 ··</tr>169 ··</tr>
170 </table>170 </table>
171 </div><div·class="memdoc">171 </div><div·class="memdoc">
  
172 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00140">140</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">treeWidth.h</a>.</p>172 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00140">140</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
173 </div>173 </div>
174 </div>174 </div>
175 <h2·class="groupheader">Member·Data·Documentation</h2>175 <h2·class="groupheader">Member·Data·Documentation</h2>
176 <a·id="a0860aeafe369727385d7054d036d3d2e"·name="a0860aeafe369727385d7054d036d3d2e"></a>176 <a·id="a0860aeafe369727385d7054d036d3d2e"·name="a0860aeafe369727385d7054d036d3d2e"></a>
177 <h2·class="memtitle"><span·class="permalink"><a·href="#a0860aeafe369727385d7054d036d3d2e">&#9670;&nbsp;</a></span>cm_</h2>177 <h2·class="memtitle"><span·class="permalink"><a·href="#a0860aeafe369727385d7054d036d3d2e">&#9670;&nbsp;</a></span>cm_</h2>
  
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195 ··</td>195 ··</td>
196 ··<td·class="mlabels-right">196 ··<td·class="mlabels-right">
197 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>197 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
198 ··</tr>198 ··</tr>
199 </table>199 </table>
200 </div><div·class="memdoc">200 </div><div·class="memdoc">
  
201 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00146">146</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">treeWidth.h</a>.</p>201 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00146">146</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
202 </div>202 </div>
203 </div>203 </div>
204 <a·id="a012b367e360afb7a32483416ff532a28"·name="a012b367e360afb7a32483416ff532a28"></a>204 <a·id="a012b367e360afb7a32483416ff532a28"·name="a012b367e360afb7a32483416ff532a28"></a>
205 <h2·class="memtitle"><span·class="permalink"><a·href="#a012b367e360afb7a32483416ff532a28">&#9670;&nbsp;</a></span>component_</h2>205 <h2·class="memtitle"><span·class="permalink"><a·href="#a012b367e360afb7a32483416ff532a28">&#9670;&nbsp;</a></span>component_</h2>
  
206 <div·class="memitem">206 <div·class="memitem">
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223 ··</td>223 ··</td>
224 ··<td·class="mlabels-right">224 ··<td·class="mlabels-right">
225 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>225 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
226 ··</tr>226 ··</tr>
227 </table>227 </table>
228 </div><div·class="memdoc">228 </div><div·class="memdoc">
  
229 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00147">147</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">treeWidth.h</a>.</p>229 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00147">147</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
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233 <!--·start·footer·part·-->233 <!--·start·footer·part·-->
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65 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>65 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
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71 <a·href="#namespaces">Namespaces</a>··</div>71 <a·href="#namespaces">Namespaces</a>··</div>
72 ··<div·class="headertitle"><div·class="title">generateCrystalDialog.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">labelDialog.h·File·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;BALL/VIEW/UIC/ui_generateCrystalDialog.h&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d5/dd3/a00902_source.html">BALL/FORMAT/INIFile.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d9/d7d/a01880_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>78 <code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code><br·/>
79 <code>#include·&lt;<a·class="el"·href="../../d4/d26/a01700_source.html">BALL/XRAY/crystalGenerator.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;<a·class="el"·href="../../d3/d00/a00113_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>79 <code>#include·&lt;BALL/VIEW/UIC/ui_labelDialog.h&gt;</code><br·/>
 80 <code>#include·&lt;QtGui/QFont&gt;</code><br·/>
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82 <p><a·href="../../d8/d0d/a01280_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../d8/d0d/a01280_source.html">Go·to·the·source·code·of·this·file.</a></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
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65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">STLRenderer.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">downloadPDBFile.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/db6/a01172_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/dbe/a01706_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d7/d02/a01808_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>77 <code>#include·&lt;BALL/VIEW/UIC/ui_downloadPDBFile.h&gt;</code><br·/>
 78 <code>#include·&lt;QtNetwork/QNetworkReply&gt;</code><br·/>
78 </div>79 </div>
79 <p><a·href="../../d8/d11/a01178_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../d8/d11/a01178_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">81 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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87 Namespaces</h2></td></tr>88 Namespaces</h2></td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
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71 <a·href="../../d6/d12/a04691.html">List·of·all·members</a>··</div>71 <a·href="../../d6/d12/a04691.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::BackBonePredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::BackBonePredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
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81 ··<map·id="BALL::BackBonePredicate_map"·name="BALL::BackBonePredicate_map">81 ··<map·id="BALL::BackBonePredicate_map"·name="BALL::BackBonePredicate_map">
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117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
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123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00276">276</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00276">276</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
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125 <a·id="a1d8ad088b2dd47908a7f9b60cef2f447"·name="a1d8ad088b2dd47908a7f9b60cef2f447"></a>125 <a·id="a1d8ad088b2dd47908a7f9b60cef2f447"·name="a1d8ad088b2dd47908a7f9b60cef2f447"></a>
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128 <div·class="memproto">128 <div·class="memproto">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d2/ddb/a04687.html">List·of·all·members</a>··</div>71 <a·href="../../d2/ddb/a04687.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::MoleculePredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::MoleculePredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::MoleculePredicate:</div>77 Inheritance·diagram·for·BALL::MoleculePredicate:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d8/d18/a04690.png"·usemap="#BALL::MoleculePredicate_map"·alt=""/>80 ··<img·src="../../d8/d18/a04690.png"·usemap="#BALL::MoleculePredicate_map"·alt=""/>
81 ··<map·id="BALL::MoleculePredicate_map"·name="BALL::MoleculePredicate_map">81 ··<map·id="BALL::MoleculePredicate_map"·name="BALL::MoleculePredicate_map">
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119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Predicate·for·matching·molecules.·Returns·<code>true</code>,·if·the·atom·belongs·to·the·molecule·defined·by·the·expression·of·this·predicate.·</p>122 <div·class="textblock"><p·>Predicate·for·matching·molecules.·Returns·<code>true</code>,·if·the·atom·belongs·to·the·molecule·defined·by·the·expression·of·this·predicate.·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00259">259</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00259">259</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
125 <a·id="a559b6018489bcb40f174dd17c6e9dda3"·name="a559b6018489bcb40f174dd17c6e9dda3"></a>125 <a·id="a559b6018489bcb40f174dd17c6e9dda3"·name="a559b6018489bcb40f174dd17c6e9dda3"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a559b6018489bcb40f174dd17c6e9dda3">&#9670;&nbsp;</a></span>operator()()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a559b6018489bcb40f174dd17c6e9dda3">&#9670;&nbsp;</a></span>operator()()</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_ad1580e676f9584aa3f77966a7e41e8d.html">AMBER</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#define-members">Macros</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">amberBend.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">CCP4File.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d7/d46/a00890_source.html">BALL/MOLMEC/COMMON/bendComponent.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
77 </div>76 </div>
78 <p><a·href="../../d8/d19/a00935_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d8/d19/a00935_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">78 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>80 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a04938.html">BALL::AmberBend</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/db3/a03846.html">BALL::CCP4File</a></td></tr>
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86 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls"> 
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
91 Macros</h2></td></tr> 
92 <tr·class="memitem:a09908ed951ac8cdedcd23500378054ff"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d19/a00935.html#a09908ed951ac8cdedcd23500378054ff">AMBER_BEND_ENABLED</a>&#160;&#160;&#160;&quot;enable·Bends&quot;</td></tr> 
93 <tr·class="memdesc:a09908ed951ac8cdedcd23500378054ff"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·ES··<a·href="../../d8/d19/a00935.html#a09908ed951ac8cdedcd23500378054ff">More...</a><br·/></td></tr> 
94 <tr·class="separator:a09908ed951ac8cdedcd23500378054ff"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 </table>88 </table>
96 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
97 <a·id="a09908ed951ac8cdedcd23500378054ff"·name="a09908ed951ac8cdedcd23500378054ff"></a> 
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a09908ed951ac8cdedcd23500378054ff">&#9670;&nbsp;</a></span>AMBER_BEND_ENABLED</h2> 
  
99 <div·class="memitem"> 
100 <div·class="memproto"> 
101 ······<table·class="memname"> 
102 ········<tr> 
103 ··········<td·class="memname">#define·AMBER_BEND_ENABLED&#160;&#160;&#160;&quot;enable·Bends&quot;</td> 
104 ········</tr> 
105 ······</table> 
106 </div><div·class="memdoc"> 
  
107 <p>flag·to·enable·ES·</p> 
  
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d19/a00935_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d8/d19/a00935_source.html">amberBend.h</a>.</p> 
  
109 </div> 
110 </div> 
111 </div><!--·contents·-->89 </div><!--·contents·-->
112 <!--·start·footer·part·-->90 <!--·start·footer·part·-->
113 <hr·class="footer"/><address·class="footer"><small>91 <hr·class="footer"/><address·class="footer"><small>
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 65 </div>
62 </div><!--·top·-->66 </div><!--·top·-->
63 <div·class="header">67 <div·class="header">
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64 ··<div·class="headertitle"><div·class="title">molmec.doc·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">client.h·File·Reference</div></div>
65 </div><!--header-->73 </div><!--header-->
66 <div·class="contents">74 <div·class="contents">
 75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d7/dcf/a00845_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../dc/dce/a00740_source.html">BALL/SYSTEM/networking.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d5/d12/a00794_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d9/daf/a00830_source.html">BALL/CONCEPT/textPersistenceManager.h</a>&gt;</code><br·/>
 80 </div>
 81 <p><a·href="../../d8/d1c/a00824_source.html">Go·to·the·source·code·of·this·file.</a></p>
 82 <table·class="memberdecls">
 83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
 84 Classes</h2></td></tr>
 85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dc9/a03230.html">BALL::Client</a></td></tr>
 86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/de7/a03234.html">BALL::Client::InvalidClient</a></td></tr>
 88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/ddd/a03238.html">BALL::Client::NoPersistentObject</a></td></tr>
 90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 91 </table><table·class="memberdecls">
 92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
 93 Namespaces</h2></td></tr>
 94 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
 95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 </table><table·class="memberdecls">
 97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>
 98 Macros</h2></td></tr>
 99 <tr·class="memitem:a16b710f592bf8f7900666392adc444dc"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d1c/a00824.html#a16b710f592bf8f7900666392adc444dc">DEFAULT_PORT</a>&#160;&#160;&#160;20000</td></tr>
 100 <tr·class="separator:a16b710f592bf8f7900666392adc444dc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 101 </table>
 102 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 103 <a·id="a16b710f592bf8f7900666392adc444dc"·name="a16b710f592bf8f7900666392adc444dc"></a>
 104 <h2·class="memtitle"><span·class="permalink"><a·href="#a16b710f592bf8f7900666392adc444dc">&#9670;&nbsp;</a></span>DEFAULT_PORT</h2>
  
 105 <div·class="memitem">
 106 <div·class="memproto">
 107 ······<table·class="memname">
 108 ········<tr>
 109 ··········<td·class="memname">#define·DEFAULT_PORT&#160;&#160;&#160;20000</td>
 110 ········</tr>
 111 ······</table>
 112 </div><div·class="memdoc">
  
 113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d1c/a00824_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d8/d1c/a00824_source.html">client.h</a>.</p>
  
 114 </div>
 115 </div>
67 </div><!--·contents·-->116 </div><!--·contents·-->
68 <!--·start·footer·part·-->117 <!--·start·footer·part·-->
69 <hr·class="footer"/><address·class="footer"><small>118 <hr·class="footer"/><address·class="footer"><small>
70 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4119 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
71 </small></address>120 </small></address>
72 </body>121 </body>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;70 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;
71 <a·href="../../d6/df1/a04447.html">List·of·all·members</a>··</div>71 <a·href="../../d6/df1/a04447.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::TrajectoryFileFactory·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TrajectoryFileFactory·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dc/dfe/a00125_source.html">BALL/FORMAT/trajectoryFileFactory.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../db/d20/a00980_source.html">BALL/FORMAT/trajectoryFileFactory.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>
78 Static·Public·Member·Functions</h2></td></tr>78 Static·Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:ae0efcdd5039e57411ab7a6a1372ee8c5"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/da0/a04446.html">TrajectoryFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d1f/a04450.html#ae0efcdd5039e57411ab7a6a1372ee8c5">open</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;name,·<a·class="el"·href="../../db/d42/a07350.html#a4fb423dfe14c17429117b4e38162ab64">File::OpenMode</a>·open_mode=std::ios::in)</td></tr>79 <tr·class="memitem:ae0efcdd5039e57411ab7a6a1372ee8c5"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/da0/a04446.html">TrajectoryFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d1f/a04450.html#ae0efcdd5039e57411ab7a6a1372ee8c5">open</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;name,·<a·class="el"·href="../../db/d42/a07350.html#a4fb423dfe14c17429117b4e38162ab64">File::OpenMode</a>·open_mode=std::ios::in)</td></tr>
80 <tr·class="separator:ae0efcdd5039e57411ab7a6a1372ee8c5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:ae0efcdd5039e57411ab7a6a1372ee8c5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:ab360aec3e5a6e5e1f29e8e44bcc520ab"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/da0/a04446.html">TrajectoryFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d1f/a04450.html#ab360aec3e5a6e5e1f29e8e44bcc520ab">open</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;name,·<a·class="el"·href="../../db/d42/a07350.html#a4fb423dfe14c17429117b4e38162ab64">File::OpenMode</a>·open_mode,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·default_format)</td></tr>81 <tr·class="memitem:ab360aec3e5a6e5e1f29e8e44bcc520ab"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/da0/a04446.html">TrajectoryFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d1f/a04450.html#ab360aec3e5a6e5e1f29e8e44bcc520ab">open</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;name,·<a·class="el"·href="../../db/d42/a07350.html#a4fb423dfe14c17429117b4e38162ab64">File::OpenMode</a>·open_mode,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·default_format)</td></tr>
82 <tr·class="separator:ab360aec3e5a6e5e1f29e8e44bcc520ab"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:ab360aec3e5a6e5e1f29e8e44bcc520ab"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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87 <tr·class="separator:ab66ab0c7a89b465d9fb479f01d6867b2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:ab66ab0c7a89b465d9fb479f01d6867b2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a591c7d9ae447dc5a83d2f9a0e56603ce"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d1f/a04450.html#a591c7d9ae447dc5a83d2f9a0e56603ce">isFileExtensionSupported</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·filename)</td></tr>88 <tr·class="memitem:a591c7d9ae447dc5a83d2f9a0e56603ce"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d1f/a04450.html#a591c7d9ae447dc5a83d2f9a0e56603ce">isFileExtensionSupported</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·filename)</td></tr>
89 <tr·class="separator:a591c7d9ae447dc5a83d2f9a0e56603ce"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a591c7d9ae447dc5a83d2f9a0e56603ce"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p·>This·class·offers·a·factory·method·that·given·a·path·to·a·trajectory·file·determines·the·file·type·based·on·the·file·extension·and·returns·a·pointer·to·an·appropriate·subclass·of·<a·class="el"·href="../../dc/da0/a04446.html">TrajectoryFile</a>·</p>92 <div·class="textblock"><p·>This·class·offers·a·factory·method·that·given·a·path·to·a·trajectory·file·determines·the·file·type·based·on·the·file·extension·and·returns·a·pointer·to·an·appropriate·subclass·of·<a·class="el"·href="../../dc/da0/a04446.html">TrajectoryFile</a>·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dfe/a00125_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../dc/dfe/a00125_source.html">trajectoryFileFactory.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d20/a00980_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../db/d20/a00980_source.html">trajectoryFileFactory.h</a>.</p>
94 </div><h2·class="groupheader">Member·Function·Documentation</h2>94 </div><h2·class="groupheader">Member·Function·Documentation</h2>
95 <a·id="ab66ab0c7a89b465d9fb479f01d6867b2"·name="ab66ab0c7a89b465d9fb479f01d6867b2"></a>95 <a·id="ab66ab0c7a89b465d9fb479f01d6867b2"·name="ab66ab0c7a89b465d9fb479f01d6867b2"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#ab66ab0c7a89b465d9fb479f01d6867b2">&#9670;&nbsp;</a></span>getSupportedFormats()</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#ab66ab0c7a89b465d9fb479f01d6867b2">&#9670;&nbsp;</a></span>getSupportedFormats()</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d9/db6/a04683.html">List·of·all·members</a>··</div>71 <a·href="../../d9/db6/a04683.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::SolventPredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SolventPredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::SolventPredicate:</div>77 Inheritance·diagram·for·BALL::SolventPredicate:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d8/d20/a04686.png"·usemap="#BALL::SolventPredicate_map"·alt=""/>80 ··<img·src="../../d8/d20/a04686.png"·usemap="#BALL::SolventPredicate_map"·alt=""/>
81 ··<map·id="BALL::SolventPredicate_map"·name="BALL::SolventPredicate_map">81 ··<map·id="BALL::SolventPredicate_map"·name="BALL::SolventPredicate_map">
82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Predicate·indicating·solvent·atoms.·Returns·<code>true</code>,·if·the·atom·belongs·to·a·solvent·molecule.·This·predicate·is·<b>true</b>·if·the·atom·is·contained·in·a·molecule·with·the·property·<a·class="el"·href="../../d9/d73/a04542.html#aec5808c1547e8857df504e031b83b0d4a1071fc7e553fbcab94e889349572374e">Molecule::IS_SOLVENT·</a>·set.·This·is·usually·the·case·for·solvents·added·automatically·by·a·force·field.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d2/d69/a05086.html#a562bd66f9413aed0af5753e9efc71011">PeriodicBoundary::addSolvent</a>·</dd></dl>122 <div·class="textblock"><p·>Predicate·indicating·solvent·atoms.·Returns·<code>true</code>,·if·the·atom·belongs·to·a·solvent·molecule.·This·predicate·is·<b>true</b>·if·the·atom·is·contained·in·a·molecule·with·the·property·<a·class="el"·href="../../d9/d73/a04542.html#aec5808c1547e8857df504e031b83b0d4a1071fc7e553fbcab94e889349572374e">Molecule::IS_SOLVENT·</a>·set.·This·is·usually·the·case·for·solvents·added·automatically·by·a·force·field.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d2/d69/a05086.html#a562bd66f9413aed0af5753e9efc71011">PeriodicBoundary::addSolvent</a>·</dd></dl>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00243">243</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00243">243</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
125 <a·id="a838fe64c2c0b131c3cb9441a9a5692ac"·name="a838fe64c2c0b131c3cb9441a9a5692ac"></a>125 <a·id="a838fe64c2c0b131c3cb9441a9a5692ac"·name="a838fe64c2c0b131c3cb9441a9a5692ac"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a838fe64c2c0b131c3cb9441a9a5692ac">&#9670;&nbsp;</a></span>operator()()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a838fe64c2c0b131c3cb9441a9a5692ac">&#9670;&nbsp;</a></span>operator()()</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="../../db/dff/a08291.html">List·of·all·members</a>··</div>72 <a·href="../../db/dff/a08291.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·RTpieCpp::InstanceHandle·&gt;·Struct·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·RTpieCpp::InstanceHandle·&gt;·Struct·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d6/d27/a01163_source.html">BALL/VIEW/RENDERING/RENDERERS/rtfactRenderer.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d9/d8b/a01469_source.html">BALL/VIEW/RENDERING/RENDERERS/rtfactRenderer.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>79 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">union·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d5f/a08298.html">conv</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">union·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d5f/a08298.html">conv</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
84 Public·Member·Functions</h2></td></tr>84 Public·Member·Functions</h2></td></tr>
85 <tr·class="memitem:a62d165bf4269d21412a00fdb04efb446"><td·class="memItemLeft"·align="right"·valign="top">size_t&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d21/a08294.html#a62d165bf4269d21412a00fdb04efb446">operator()</a>·(const·RTpieCpp::InstanceHandle·&amp;x)·const··throw·()</td></tr>85 <tr·class="memitem:a62d165bf4269d21412a00fdb04efb446"><td·class="memItemLeft"·align="right"·valign="top">size_t&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d21/a08294.html#a62d165bf4269d21412a00fdb04efb446">operator()</a>·(const·RTpieCpp::InstanceHandle·&amp;x)·const··throw·()</td></tr>
86 <tr·class="separator:a62d165bf4269d21412a00fdb04efb446"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:a62d165bf4269d21412a00fdb04efb446"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table>87 </table>
88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
89 <div·class="textblock">89 <div·class="textblock">
90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d27/a01163_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d6/d27/a01163_source.html">rtfactRenderer.h</a>.</p>90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d8b/a01469_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d9/d8b/a01469_source.html">rtfactRenderer.h</a>.</p>
91 </div><h2·class="groupheader">Member·Function·Documentation</h2>91 </div><h2·class="groupheader">Member·Function·Documentation</h2>
92 <a·id="a62d165bf4269d21412a00fdb04efb446"·name="a62d165bf4269d21412a00fdb04efb446"></a>92 <a·id="a62d165bf4269d21412a00fdb04efb446"·name="a62d165bf4269d21412a00fdb04efb446"></a>
93 <h2·class="memtitle"><span·class="permalink"><a·href="#a62d165bf4269d21412a00fdb04efb446">&#9670;&nbsp;</a></span>operator()()</h2>93 <h2·class="memtitle"><span·class="permalink"><a·href="#a62d165bf4269d21412a00fdb04efb446">&#9670;&nbsp;</a></span>operator()()</h2>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_bdf615705158bdb9ef48f1578bccfd92.html">PYTHON</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">expression.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">pyCAPIKernel.h·File·Reference</div></div>
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74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d17/a01937_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d55/a00323_source.html">BALL/PYTHON/pyKernel.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../dc/dc9/a00389_source.html">BALL/KERNEL/expressionParser.h</a>&gt;</code><br·/>75 <code>#include·&lt;vector&gt;</code><br·/>
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81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dba/a04502.html">BALL::Expression</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/de2/a05578.html">BALL::PyCAPIKernel</a></td></tr>
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92 <li>Classes·to·access·the·OpenGL·library·for·building·and·handling·the·display·lists·required·for·rendering·the·visualization</li>92 <li>Classes·to·access·the·OpenGL·library·for·building·and·handling·the·display·lists·required·for·rendering·the·visualization</li>
93 <li>Widgets·that·can·be·used·for·building·an·application</li>93 <li>Widgets·that·can·be·used·for·building·an·application</li>
94 </ul>94 </ul>
95 <p·>First,·the·class·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·is·the·most·important·widget·for·building·an·application.·The·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·is·the·main·window·of·the·application.·It·provides·a·menu·bar·and·a·status·bar·that·can·be·initialized·and·changed·by·its·child·widgets.·Those·child·widgets·must·be·derived·from·<a·class="el"·href="../../d0/d8a/a07922.html">ModularWidget·</a>·that·provides·interface·methods·to·create,·maintain·and·remove·menu·entries·and·preferences·tab·dialogs.·Further·the·ModularWidget·does·all·the·connectivity·needed·to·insert·the·widget·properly·into·the·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·(like·setup·the·menu·entries,·fetch·the·preferences·and·handle·the·signal/slot·mechanism·of·the·underlying·QT-widgets).·To·insert·such·a·widget·derived·from·<a·class="el"·href="../../d0/d8a/a07922.html">ModularWidget·</a>·just·create·it·with·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·as·parent.·Each·ModularWidget·is·a·component·that·can·be·used·to·build·an·application·block·for·block.·They·use·a·<a·class="el"·href="../../d6/d6e/a07818.html">Message·</a>·communication·queue·which·is·maintained·by·the·class·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·that·relays·all·catched·messages·to·all·other·inserted·ModularWidgets·except·the·one·which·had·originally·sent·the·message.·With·these·messages·it·is·possible·for·the·widgets·to·notify·the·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·of·changes·done·to·the·graphical·representation·of·certain·objects·or·to·change·the·contents·of·the·status·bar·or·even·notify·of·objects·which·are·no·longer·available.·The·forth·class·we·introduce·is·the·class·<a·class="el"·href="../../d6/d15/a08526.html">Scene·</a>·that·provides·the·three-dimensional·interactive·visualization·of·the·above·mentioned·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject·</a>·objects.·With·this·class·it·is·possible·to·rotate,·translate,·zoom·or·pick·objects·by·mouse·click.·Another·important·class·is·the·class·GenericControl.·With·the·help·of·this·class·the·hierarchical·structure·of·the·visualized·objects·can·be·displayed·and·manipulated.·<br··/>95 <p·>First,·the·class·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·is·the·most·important·widget·for·building·an·application.·The·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·is·the·main·window·of·the·application.·It·provides·a·menu·bar·and·a·status·bar·that·can·be·initialized·and·changed·by·its·child·widgets.·Those·child·widgets·must·be·derived·from·<a·class="el"·href="../../d0/d8a/a07922.html">ModularWidget·</a>·that·provides·interface·methods·to·create,·maintain·and·remove·menu·entries·and·preferences·tab·dialogs.·Further·the·ModularWidget·does·all·the·connectivity·needed·to·insert·the·widget·properly·into·the·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·(like·setup·the·menu·entries,·fetch·the·preferences·and·handle·the·signal/slot·mechanism·of·the·underlying·QT-widgets).·To·insert·such·a·widget·derived·from·<a·class="el"·href="../../d0/d8a/a07922.html">ModularWidget·</a>·just·create·it·with·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·as·parent.·Each·ModularWidget·is·a·component·that·can·be·used·to·build·an·application·block·for·block.·They·use·a·<a·class="el"·href="../../d6/d6e/a07818.html">Message·</a>·communication·queue·which·is·maintained·by·the·class·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·that·relays·all·catched·messages·to·all·other·inserted·ModularWidgets·except·the·one·which·had·originally·sent·the·message.·With·these·messages·it·is·possible·for·the·widgets·to·notify·the·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·of·changes·done·to·the·graphical·representation·of·certain·objects·or·to·change·the·contents·of·the·status·bar·or·even·notify·of·objects·which·are·no·longer·available.·The·forth·class·we·introduce·is·the·class·<a·class="el"·href="../../d6/d15/a08526.html">Scene·</a>·that·provides·the·three-dimensional·interactive·visualization·of·the·above·mentioned·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject·</a>·objects.·With·this·class·it·is·possible·to·rotate,·translate,·zoom·or·pick·objects·by·mouse·click.·Another·important·class·is·the·class·GenericControl.·With·the·help·of·this·class·the·hierarchical·structure·of·the·visualized·objects·can·be·displayed·and·manipulated.·<br··/>
96 ·<br··/>96 ·<br··/>
97 ·<br··/>97 ·<br··/>
98 ·The·following·code·is·an·example·for·building·an·application·(the·includes·have·been·omitted):·<br··/>98 ·The·following·code·is·an·example·for·building·an·application·(the·includes·have·been·omitted):·<br··/>
99 ·</p><div·class="fragment"><div·class="line"><span·class="keywordtype">int</span>·<a·class="code·hl_function"·href="../../d9/dff/a02099.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>(<span·class="keywordtype">int</span>·argc,·<span·class="keywordtype">char</span>·**argv)</div>99 ·</p><div·class="fragment"><div·class="line"><span·class="keywordtype">int</span>·<a·class="code·hl_function"·href="../../d0/dfe/a02102.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>(<span·class="keywordtype">int</span>·argc,·<span·class="keywordtype">char</span>·**argv)</div>
100 <div·class="line">{</div>100 <div·class="line">{</div>
101 <div·class="line">··<span·class="comment">//·creating·mainframe·and·application</span></div>101 <div·class="line">··<span·class="comment">//·creating·mainframe·and·application</span></div>
102 <div·class="line">··QApplication·app(argc,·argv);</div>102 <div·class="line">··QApplication·app(argc,·argv);</div>
103 <div·class="line">··MainControl·<a·class="code·hl_function"·href="../../d9/dff/a02099.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>;</div>103 <div·class="line">··MainControl·<a·class="code·hl_function"·href="../../d0/dfe/a02102.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>;</div>
104 <div·class="line">··app.setMainWidget(&amp;<a·class="code·hl_function"·href="../../d9/dff/a02099.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>);</div>104 <div·class="line">··app.setMainWidget(&amp;<a·class="code·hl_function"·href="../../d0/dfe/a02102.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>);</div>
105 <div·class="line">·</div>105 <div·class="line">·</div>
106 <div·class="line">··<span·class="comment">//·create·the·the·molecular·control</span></div>106 <div·class="line">··<span·class="comment">//·create·the·the·molecular·control</span></div>
107 <div·class="line">··<span·class="keyword">new</span>·MolecularControl(&amp;<a·class="code·hl_function"·href="../../d9/dff/a02099.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>);</div>107 <div·class="line">··<span·class="keyword">new</span>·MolecularControl(&amp;<a·class="code·hl_function"·href="../../d0/dfe/a02102.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>);</div>
108 <div·class="line">·</div>108 <div·class="line">·</div>
109 <div·class="line">··<span·class="comment">//·create·the·scene·</span></div>109 <div·class="line">··<span·class="comment">//·create·the·scene·</span></div>
110 <div·class="line">··<span·class="keyword">new</span>·Scene(&amp;<a·class="code·hl_function"·href="../../d9/dff/a02099.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>);</div>110 <div·class="line">··<span·class="keyword">new</span>·Scene(&amp;<a·class="code·hl_function"·href="../../d0/dfe/a02102.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>);</div>
111 <div·class="line">·</div>111 <div·class="line">·</div>
112 <div·class="line">··<span·class="comment">//·start·the·application</span></div>112 <div·class="line">··<span·class="comment">//·start·the·application</span></div>
113 <div·class="line">··<a·class="code·hl_function"·href="../../d9/dff/a02099.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>.show();</div>113 <div·class="line">··<a·class="code·hl_function"·href="../../d0/dfe/a02102.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>.show();</div>
114 <div·class="line">··<span·class="keywordflow">return</span>·app.exec();</div>114 <div·class="line">··<span·class="keywordflow">return</span>·app.exec();</div>
115 <div·class="line">}</div>115 <div·class="line">}</div>
116 <div·class="ttc"·id="aa02099_html_a3c04138a5bfe5d72780bb7e82a18e627"><div·class="ttname"><a·href="../../d9/dff/a02099.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a></div><div·class="ttdeci">int·main(int·argc,·char·**argv)</div><div·class="ttdef"><b>Definition:</b>·<a·href="../..[·...·truncated·by·diffoscope;·len:·14,·SHA:·e23042631655c24dfb66cecdbefef769450555f86685ba551f96076a681b1922·...·]_source.html#l00046">main.C:46</a></div></div>116 <div·class="ttc"·id="aa02102_html_a3c04138a5bfe5d72780bb7e82a18e627"><div·class="ttname"><a·href="../../d0/dfe/a02102.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a></div><div·class="ttdeci">int·main(int·argc,·char·**argv)</div><div·class="ttdef"><b>Definition:</b>·<a·href="../..[·...·truncated·by·diffoscope;·len:·14,·SHA:·5dd613e12481e7f89ecbcc9828bbfac673f868a439b244a457fce9cba9f1339c·...·]_source.html#l00046">main.C:46</a></div></div>
117 </div><!--·fragment·--><p>·<b>Note</b>·This·application·only·demonstrates·how·to·build·an·application.·It·opens·a·main·window·with·both·the·MolecularControl·and·Scene.·but·as·there·are·no·means·by·which·any·object·can·be·added·no·objects·will·be·shown·in·either·the·MolecularControl·and·the·Scene·widget.·<br··/>117 </div><!--·fragment·--><p>·<b>Note</b>·This·application·only·demonstrates·how·to·build·an·application.·It·opens·a·main·window·with·both·the·MolecularControl·and·Scene.·but·as·there·are·no·means·by·which·any·object·can·be·added·no·objects·will·be·shown·in·either·the·MolecularControl·and·the·Scene·widget.·<br··/>
118 ·<br··/>118 ·<br··/>
119 ·For·more·information·about·QT·widgets·and·application·programming·see·the·documentation·of·the·QT-library.·</p>119 ·For·more·information·about·QT·widgets·and·application·programming·see·the·documentation·of·the·QT-library.·</p>
120 </div><!--·contents·-->120 </div><!--·contents·-->
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64 ··<ul>64 ··<ul>
65 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>65 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>
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67 </div><!--·top·-->67 </div><!--·top·-->
68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="#namespaces">Namespaces</a>·&#124;71 <a·href="#namespaces">Namespaces</a>··</div>
72 <a·href="#typedef-members">Typedefs</a>··</div> 
73 ··<div·class="headertitle"><div·class="title">geometricObject.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">iconLoader.h·File·Reference</div></div>
74 </div><!--header-->73 </div><!--header-->
75 <div·class="contents">74 <div·class="contents">
76 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d21/a01484_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;list&gt;</code><br·/>
 76 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;QtCore/QMutex&gt;</code><br·/>
 79 <code>#include·&lt;QtCore/QReadWriteLock&gt;</code><br·/>
 80 <code>#include·&lt;QtCore/QStringList&gt;</code><br·/>
78 </div>81 </div>
79 <p><a·href="../../d8/d27/a01043_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../d8/d27/a01043_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">83 <table·class="memberdecls">
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88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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92 </table><table·class="memberdecls"> 
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
94 Typedefs</h2></td></tr> 
95 <tr·class="memitem:a4a3efc4f70d893edd52b9a423e2e099f"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::list&lt;·GeometricObject·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html#a4a3efc4f70d893edd52b9a423e2e099f">BALL::VIEW::GeometricObjectList</a></td></tr> 
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d4/dbc/a03159.html">List·of·all·members</a>··</div>71 <a·href="../../d4/dbc/a03159.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Exception::NoBufferAvailable·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::NoBufferAvailable·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
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78 <div·class="dyncontent">78 <div·class="dyncontent">
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81 ··<map·id="BALL::Exception::NoBufferAvailable_map"·name="BALL::Exception::NoBufferAvailable_map">81 ··<map·id="BALL::Exception::NoBufferAvailable_map"·name="BALL::Exception::NoBufferAvailable_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,214,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,214,80"/>
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133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>RenderTarget·error·A·buffer·was·requested·from·<a·class="el"·href="../../">RenderTarget</a>·but·could·not·be·supplied·for·some·reason·at·the·given·moment.·Additional·parameter·<code>reason</code>·gives·the·reason·why·the·buffer·could·not·be·provided.·</p>136 <div·class="textblock"><p·>RenderTarget·error·A·buffer·was·requested·from·<a·class="el"·href="../../">RenderTarget</a>·but·could·not·be·supplied·for·some·reason·at·the·given·moment.·Additional·parameter·<code>reason</code>·gives·the·reason·why·the·buffer·could·not·be·provided.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00461">461</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00461">461</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="afc28d0c164ca991c8abf173060fed432"·name="afc28d0c164ca991c8abf173060fed432"></a>139 <a·id="afc28d0c164ca991c8abf173060fed432"·name="afc28d0c164ca991c8abf173060fed432"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#afc28d0c164ca991c8abf173060fed432">&#9670;&nbsp;</a></span>NoBufferAvailable()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#afc28d0c164ca991c8abf173060fed432">&#9670;&nbsp;</a></span>NoBufferAvailable()</h2>
  
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 64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
 65 </div>
62 </div><!--·top·-->66 </div><!--·top·-->
63 <div·class="header">67 <div·class="header">
 68 ··<div·class="summary">
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 71 <a·href="#func-members">Functions</a>··</div>
64 ··<div·class="headertitle"><div·class="title">parameter.doc·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">timeStamp.h·File·Reference</div></div>
65 </div><!--header-->73 </div><!--header-->
66 <div·class="contents">74 <div·class="contents">
 75 <div·class="textblock"><code>#include·&lt;BALL/CONFIG/config.h&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../dd/dc0/a00611_source.html">BALL/COMMON/create.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../dc/d4d/a00620_source.html">BALL/COMMON/debug.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d0/d11/a00842_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;iostream&gt;</code><br·/>
 80 <code>#include·&lt;BALL/CONCEPT/timeStamp.iC&gt;</code><br·/>
 81 </div>
 82 <p><a·href="../../d8/d2d/a00815_source.html">Go·to·the·source·code·of·this·file.</a></p>
 83 <table·class="memberdecls">
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 89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 </table><table·class="memberdecls">
 91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
 92 Namespaces</h2></td></tr>
 93 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
 94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 </table><table·class="memberdecls">
 96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 97 Functions</h2></td></tr>
 98 <tr·class="memitem:a2a0e1ece7f67bf8b86c9f1a0ca181bb3"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a2a0e1ece7f67bf8b86c9f1a0ca181bb3">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;os,·const·PreciseTime·&amp;time)</td></tr>
 99 <tr·class="separator:a2a0e1ece7f67bf8b86c9f1a0ca181bb3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 100 <tr·class="memitem:a40f3d0c6777e34237c35600cbdeb6330"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a40f3d0c6777e34237c35600cbdeb6330">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;os,·const·TimeStamp·&amp;stamp)</td></tr>
 101 <tr·class="separator:a40f3d0c6777e34237c35600cbdeb6330"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 102 </table>
67 </div><!--·contents·-->103 </div><!--·contents·-->
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="../../db/d9d/a06119.html">List·of·all·members</a>··</div>72 <a·href="../../db/d9d/a06119.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::DiffGridBasedScoring·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::DiffGridBasedScoring·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d6/d22/a00245_source.html">BALL/SCORING/COMMON/diffGridBasedScoring.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d6/d8e/a01979_source.html">BALL/SCORING/COMMON/diffGridBasedScoring.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::DiffGridBasedScoring:</div>78 Inheritance·diagram·for·BALL::DiffGridBasedScoring:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d8/d2f/a06122.png"·usemap="#BALL::DiffGridBasedScoring_map"·alt=""/>81 ··<img·src="../../d8/d2f/a06122.png"·usemap="#BALL::DiffGridBasedScoring_map"·alt=""/>
82 ··<map·id="BALL::DiffGridBasedScoring_map"·name="BALL::DiffGridBasedScoring_map">82 ··<map·id="BALL::DiffGridBasedScoring_map"·name="BALL::DiffGridBasedScoring_map">
83 <area·href="../../dc/d40/a06134.html"·alt="BALL::GridBasedScoring"·shape="rect"·coords="91,56,263,80"/>83 <area·href="../../dc/d40/a06134.html"·alt="BALL::GridBasedScoring"·shape="rect"·coords="91,56,263,80"/>
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475 <tr·class="memitem:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a6884ad80f5b4a53ac9075b09e080488c">rotatable_ligand_bonds_</a>·{}</td></tr>475 <tr·class="memitem:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a6884ad80f5b4a53ac9075b09e080488c">rotatable_ligand_bonds_</a>·{}</td></tr>
476 <tr·class="separator:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>476 <tr·class="separator:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
477 <tr·class="memitem:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·list&lt;·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a1b984092e5214e6adbd1cdf8b6b62976">flexres_org_positions_</a>·{}</td></tr>477 <tr·class="memitem:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·list&lt;·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a1b984092e5214e6adbd1cdf8b6b62976">flexres_org_positions_</a>·{}</td></tr>
478 <tr·class="separator:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>478 <tr·class="separator:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
479 </table>479 </table>
480 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>480 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
481 <div·class="textblock">481 <div·class="textblock">
482 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d22/a00245_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d6/d22/a00245_source.html">diffGridBasedScoring.h</a>.</p>482 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8e/a01979_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d6/d8e/a01979_source.html">diffGridBasedScoring.h</a>.</p>
483 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>483 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
484 <a·id="a901c24df96fac86eece6ee65bd8ed8de"·name="a901c24df96fac86eece6ee65bd8ed8de"></a>484 <a·id="a901c24df96fac86eece6ee65bd8ed8de"·name="a901c24df96fac86eece6ee65bd8ed8de"></a>
485 <h2·class="memtitle"><span·class="permalink"><a·href="#a901c24df96fac86eece6ee65bd8ed8de">&#9670;&nbsp;</a></span>DiffGridBasedScoring()·<span·class="overload">[1/2]</span></h2>485 <h2·class="memtitle"><span·class="permalink"><a·href="#a901c24df96fac86eece6ee65bd8ed8de">&#9670;&nbsp;</a></span>DiffGridBasedScoring()·<span·class="overload">[1/2]</span></h2>
  
486 <div·class="memitem">486 <div·class="memitem">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d7/dc6/a07035.html">List·of·all·members</a>··</div>70 <a·href="../../d7/dc6/a07035.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::RDFSection·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/dc3/a02190.html">Radial·Distribution·Functions</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::RDFSection·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/dc3/a02190.html">Radial·Distribution·Functions</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d7/d21/a00584_source.html">BALL/STRUCTURE/RDFSection.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../dc/d06/a01832_source.html">BALL/STRUCTURE/RDFSection.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::RDFSection:</div>76 Inheritance·diagram·for·BALL::RDFSection:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d8/d33/a07038.png"·usemap="#BALL::RDFSection_map"·alt=""/>79 ··<img·src="../../d8/d33/a07038.png"·usemap="#BALL::RDFSection_map"·alt=""/>
80 ··<map·id="BALL::RDFSection_map"·name="BALL::RDFSection_map">80 ··<map·id="BALL::RDFSection_map"·name="BALL::RDFSection_map">
81 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>81 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>
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184 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>184 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
185 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>185 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>
186 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>186 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
187 </table>187 </table>
188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
189 <div·class="textblock"><p·>Helper·class·for·<a·class="el"·href="../../de/d75/a07034.html">RDFParameter</a>.·</p>189 <div·class="textblock"><p·>Helper·class·for·<a·class="el"·href="../../de/d75/a07034.html">RDFParameter</a>.·</p>
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d21/a00584_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d7/d21/a00584_source.html">RDFSection.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d06/a01832_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../dc/d06/a01832_source.html">RDFSection.h</a>.</p>
191 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>191 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
192 <a·id="ac4da008463899b99776cc2c813638873"·name="ac4da008463899b99776cc2c813638873"></a>192 <a·id="ac4da008463899b99776cc2c813638873"·name="ac4da008463899b99776cc2c813638873"></a>
193 <h2·class="memtitle"><span·class="permalink"><a·href="#ac4da008463899b99776cc2c813638873">&#9670;&nbsp;</a></span>Type</h2>193 <h2·class="memtitle"><span·class="permalink"><a·href="#ac4da008463899b99776cc2c813638873">&#9670;&nbsp;</a></span>Type</h2>
  
194 <div·class="memitem">194 <div·class="memitem">
195 <div·class="memproto">195 <div·class="memproto">
196 ······<table·class="memname">196 ······<table·class="memname">
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202 ······</table>202 ······</table>
203 </div><div·class="memdoc">203 </div><div·class="memdoc">
204 <table·class="fieldtable">204 <table·class="fieldtable">
205 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="ac4da008463899b99776cc2c813638873a89a7d7a0f3b12a9958389c997551c18d"·name="ac4da008463899b99776cc2c813638873a89a7d7a0f3b12a9958389c997551c18d"></a>UNKNOWN_TYPE&#160;</td><td·class="fielddoc"></td></tr>205 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="ac4da008463899b99776cc2c813638873a89a7d7a0f3b12a9958389c997551c18d"·name="ac4da008463899b99776cc2c813638873a89a7d7a0f3b12a9958389c997551c18d"></a>UNKNOWN_TYPE&#160;</td><td·class="fielddoc"></td></tr>
206 <tr><td·class="fieldname"><a·id="ac4da008463899b99776cc2c813638873a0259da9ade1184961cb0a765ad17d8bf"·name="ac4da008463899b99776cc2c813638873a0259da9ade1184961cb0a765ad17d8bf"></a>PIECEWISE_POLYNOMIAL&#160;</td><td·class="fielddoc"></td></tr>206 <tr><td·class="fieldname"><a·id="ac4da008463899b99776cc2c813638873a0259da9ade1184961cb0a765ad17d8bf"·name="ac4da008463899b99776cc2c813638873a0259da9ade1184961cb0a765ad17d8bf"></a>PIECEWISE_POLYNOMIAL&#160;</td><td·class="fielddoc"></td></tr>
207 </table>207 </table>
  
208 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d21/a00584_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d7/d21/a00584_source.html">RDFSection.h</a>.</p>208 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d06/a01832_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../dc/d06/a01832_source.html">RDFSection.h</a>.</p>
  
209 </div>209 </div>
210 </div>210 </div>
211 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>211 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
212 <a·id="a37b6de78d396b551b6172d5146246461"·name="a37b6de78d396b551b6172d5146246461"></a>212 <a·id="a37b6de78d396b551b6172d5146246461"·name="a37b6de78d396b551b6172d5146246461"></a>
213 <h2·class="memtitle"><span·class="permalink"><a·href="#a37b6de78d396b551b6172d5146246461">&#9670;&nbsp;</a></span>RDFSection()·<span·class="overload">[1/2]</span></h2>213 <h2·class="memtitle"><span·class="permalink"><a·href="#a37b6de78d396b551b6172d5146246461">&#9670;&nbsp;</a></span>RDFSection()·<span·class="overload">[1/2]</span></h2>
  
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411 ··</td>411 ··</td>
412 ··<td·class="mlabels-right">412 ··<td·class="mlabels-right">
413 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>413 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
414 ··</tr>414 ··</tr>
415 </table>415 </table>
416 </div><div·class="memdoc">416 </div><div·class="memdoc">
  
417 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d21/a00584_source.html#l00099">99</a>·of·file·<a·class="el"·href="../../d7/d21/a00584_source.html">RDFSection.h</a>.</p>417 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d06/a01832_source.html#l00099">99</a>·of·file·<a·class="el"·href="../../dc/d06/a01832_source.html">RDFSection.h</a>.</p>
  
418 </div>418 </div>
419 </div>419 </div>
420 </div><!--·contents·-->420 </div><!--·contents·-->
421 <!--·start·footer·part·-->421 <!--·start·footer·part·-->
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../d1/d1b/a07839.html">List·of·all·members</a>··</div>72 <a·href="../../d1/d1b/a07839.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::NewSelectionMessage·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::NewSelectionMessage·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d0/d39/a01112_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::NewSelectionMessage:</div>78 Inheritance·diagram·for·BALL::VIEW::NewSelectionMessage:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d8/d39/a07842.png"·usemap="#BALL::VIEW::NewSelectionMessage_map"·alt=""/>81 ··<img·src="../../d8/d39/a07842.png"·usemap="#BALL::VIEW::NewSelectionMessage_map"·alt=""/>
82 ··<map·id="BALL::VIEW::NewSelectionMessage_map"·name="BALL::VIEW::NewSelectionMessage_map">82 ··<map·id="BALL::VIEW::NewSelectionMessage_map"·name="BALL::VIEW::NewSelectionMessage_map">
83 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,214,24"/>83 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,214,24"/>
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116 Protected·Attributes</h2></td></tr>116 Protected·Attributes</h2></td></tr>
117 <tr·class="memitem:a864a3b568ed56a990842d1381d2db662"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d39/a07842.html#a864a3b568ed56a990842d1381d2db662">open_</a></td></tr>117 <tr·class="memitem:a864a3b568ed56a990842d1381d2db662"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d39/a07842.html#a864a3b568ed56a990842d1381d2db662">open_</a></td></tr>
118 <tr·class="separator:a864a3b568ed56a990842d1381d2db662"><td·class="memSeparator"·colspan="2">&#160;</td></tr>118 <tr·class="separator:a864a3b568ed56a990842d1381d2db662"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
119 </table>119 </table>
120 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>120 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
121 <div·class="textblock"><p·>Send·by·<a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>·to·Control·objects·to·sync·selection·</p>121 <div·class="textblock"><p·>Send·by·<a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>·to·Control·objects·to·sync·selection·</p>
  
122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00495">495</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00495">495</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
123 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>123 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
124 <a·id="a57675c6179ce3ff346a864c01947fc8b"·name="a57675c6179ce3ff346a864c01947fc8b"></a>124 <a·id="a57675c6179ce3ff346a864c01947fc8b"·name="a57675c6179ce3ff346a864c01947fc8b"></a>
125 <h2·class="memtitle"><span·class="permalink"><a·href="#a57675c6179ce3ff346a864c01947fc8b">&#9670;&nbsp;</a></span>NewSelectionMessage()</h2>125 <h2·class="memtitle"><span·class="permalink"><a·href="#a57675c6179ce3ff346a864c01947fc8b">&#9670;&nbsp;</a></span>NewSelectionMessage()</h2>
  
126 <div·class="memitem">126 <div·class="memitem">
127 <div·class="memproto">127 <div·class="memproto">
128 ······<table·class="memname">128 ······<table·class="memname">
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72 <a·href="../../d1/df6/a07431.html">List·of·all·members</a>··</div>72 <a·href="../../d1/df6/a07431.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::SimpleDownloaderHelper::DLArrayHelper·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::SimpleDownloaderHelper::DLArrayHelper·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d8/d9c/a01733_source.html">BALL/SYSTEM/simpleDownloader.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/SYSTEM/simpleDownloader.h</a>&gt;</code></p>
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119 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>119 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
120 <div·class="textblock">120 <div·class="textblock">
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124 <h2·class="memtitle"><span·class="permalink"><a·href="#aa7f6eb42369b1daf03d0ef8d0a643b67">&#9670;&nbsp;</a></span>DLArrayHelper()</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#aa7f6eb42369b1daf03d0ef8d0a643b67">&#9670;&nbsp;</a></span>DLArrayHelper()</h2>
  
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8 <title>BALL:·genericMolFile.h·File·Reference</title>8 <title>BALL:·charmmStretch.h·File·Reference</title>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_8cdbfb4bef7508ff4809ac8ed890f379.html">CHARMM</a></li>··</ul>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
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71 ··<div·class="headertitle"><div·class="title">genericMolFile.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">charmmStretch.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
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76 <p><a·href="../../d8/d41/a00038_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d8/d41/a00038_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">79 <table·class="memberdecls">
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 96 <h2·class="groupheader">Macro·Definition·Documentation</h2>
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 98 <h2·class="memtitle"><span·class="permalink"><a·href="#a55865a990730dc86efa8e45055181647">&#9670;&nbsp;</a></span>CHARMM_STRETCHES_ENABLED</h2>
  
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 100 <div·class="memproto">
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 102 ········<tr>
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 107 <p>flag·to·enable·Stretches·</p>
  
 108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d41/a00038_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d8/d41/a00038_source.html">charmmStretch.h</a>.</p>
  
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71 <a·href="../../d2/ded/a08271.html">List·of·all·members</a>··</div>71 <a·href="../../d2/ded/a08271.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::POVRenderer::POVRendererClippingPlane·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::POVRenderer::POVRendererClippingPlane·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/d25/a01157_source.html">BALL/VIEW/RENDERING/RENDERERS/POVRenderer.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d67/a01466_source.html">BALL/VIEW/RENDERING/RENDERERS/POVRenderer.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:acaf47d48eac203103c9f0782be7dce43"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d43/a08274.html#acaf47d48eac203103c9f0782be7dce43">normal</a></td></tr>79 <tr·class="memitem:acaf47d48eac203103c9f0782be7dce43"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d43/a08274.html#acaf47d48eac203103c9f0782be7dce43">normal</a></td></tr>
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85 <div·class="textblock">85 <div·class="textblock">
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d25/a01157_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d9/d25/a01157_source.html">POVRenderer.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d67/a01466_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d5/d67/a01466_source.html">POVRenderer.h</a>.</p>
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89 <h2·class="memtitle"><span·class="permalink"><a·href="#acaf47d48eac203103c9f0782be7dce43">&#9670;&nbsp;</a></span>normal</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#acaf47d48eac203103c9f0782be7dce43">&#9670;&nbsp;</a></span>normal</h2>
  
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94 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·BALL::VIEW::POVRenderer::POVRendererClippingPlane::normal</td>94 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·BALL::VIEW::POVRenderer::POVRendererClippingPlane::normal</td>
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99 </div>99 </div>
100 </div>100 </div>
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102 <h2·class="memtitle"><span·class="permalink"><a·href="#a4db80771bfef3d22e3309990d0209db1">&#9670;&nbsp;</a></span>translation</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#a4db80771bfef3d22e3309990d0209db1">&#9670;&nbsp;</a></span>translation</h2>
  
103 <div·class="memitem">103 <div·class="memitem">
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111 ········<tr>111 ········<tr>
112 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::VIEW::POVRenderer::POVRendererClippingPlane::translation</td>112 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::VIEW::POVRenderer::POVRendererClippingPlane::translation</td>
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114 ······</table>114 ······</table>
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117 </div>117 </div>
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120 <!--·start·footer·part·-->120 <!--·start·footer·part·-->
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">svrModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">slickScore.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/dbe/a02084_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/de8/a02006_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
76 </div>78 </div>
77 <p><a·href="../../d8/d45/a02021_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d8/d45/a02021_source.html">Go·to·the·source·code·of·this·file.</a></p>
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74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dc/dc9/a00389_source.html">BALL/KERNEL/expressionParser.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/def/a00521_source.html">BALL/KERNEL/expressionParser.h</a>&gt;</code></p>
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105 <tr·class="separator:a37926ed955c6feb50e28875fa2ae6bd5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>105 <tr·class="separator:a37926ed955c6feb50e28875fa2ae6bd5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
106 </table>106 </table>
107 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>107 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
108 <div·class="textblock"><p·><a·class="el"·href="../../d7/dba/a04502.html">Expression</a>·Parser.·A·simple·parser·for·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·kernel·expressions.·It·reads·a·string·and·constructs·a·syntax·tree·from·the·boolean·expressions·contained·therein.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>108 <div·class="textblock"><p·><a·class="el"·href="../../d7/dba/a04502.html">Expression</a>·Parser.·A·simple·parser·for·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·kernel·expressions.·It·reads·a·string·and·constructs·a·syntax·tree·from·the·boolean·expressions·contained·therein.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dc9/a00389_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../dc/dc9/a00389_source.html">expressionParser.h</a>.</p>109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a00521_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d7/def/a00521_source.html">expressionParser.h</a>.</p>
110 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>110 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
111 <a·id="ac72aff536b2941f9a15fc464e74f4c79"·name="ac72aff536b2941f9a15fc464e74f4c79"></a>111 <a·id="ac72aff536b2941f9a15fc464e74f4c79"·name="ac72aff536b2941f9a15fc464e74f4c79"></a>
112 <h2·class="memtitle"><span·class="permalink"><a·href="#ac72aff536b2941f9a15fc464e74f4c79">&#9670;&nbsp;</a></span>ExpressionParser()·<span·class="overload">[1/2]</span></h2>112 <h2·class="memtitle"><span·class="permalink"><a·href="#ac72aff536b2941f9a15fc464e74f4c79">&#9670;&nbsp;</a></span>ExpressionParser()·<span·class="overload">[1/2]</span></h2>
  
113 <div·class="memitem">113 <div·class="memitem">
114 <div·class="memproto">114 <div·class="memproto">
115 ······<table·class="memname">115 ······<table·class="memname">
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226 ··</td>226 ··</td>
227 ··<td·class="mlabels-right">227 ··<td·class="mlabels-right">
228 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>228 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>
229 ··</tr>229 ··</tr>
230 </table>230 </table>
231 </div><div·class="memdoc">231 </div><div·class="memdoc">
  
232 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dc9/a00389_source.html#l00184">184</a>·of·file·<a·class="el"·href="../../dc/dc9/a00389_source.html">expressionParser.h</a>.</p>232 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a00521_source.html#l00184">184</a>·of·file·<a·class="el"·href="../../d7/def/a00521_source.html">expressionParser.h</a>.</p>
  
233 </div>233 </div>
234 </div>234 </div>
235 <a·id="ae41a12803556d37723dbeebb7336913b"·name="ae41a12803556d37723dbeebb7336913b"></a>235 <a·id="ae41a12803556d37723dbeebb7336913b"·name="ae41a12803556d37723dbeebb7336913b"></a>
236 <h2·class="memtitle"><span·class="permalink"><a·href="#ae41a12803556d37723dbeebb7336913b">&#9670;&nbsp;</a></span>state</h2>236 <h2·class="memtitle"><span·class="permalink"><a·href="#ae41a12803556d37723dbeebb7336913b">&#9670;&nbsp;</a></span>state</h2>
  
237 <div·class="memitem">237 <div·class="memitem">
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250 ··</td>250 ··</td>
251 ··<td·class="mlabels-right">251 ··<td·class="mlabels-right">
252 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>252 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
253 ··</tr>253 ··</tr>
254 </table>254 </table>
255 </div><div·class="memdoc">255 </div><div·class="memdoc">
  
256 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dc9/a00389_source.html#l00180">180</a>·of·file·<a·class="el"·href="../../dc/dc9/a00389_source.html">expressionParser.h</a>.</p>256 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a00521_source.html#l00180">180</a>·of·file·<a·class="el"·href="../../d7/def/a00521_source.html">expressionParser.h</a>.</p>
  
257 </div>257 </div>
258 </div>258 </div>
259 <a·id="a13a463db1e909b9b6d184b76da13fbb5"·name="a13a463db1e909b9b6d184b76da13fbb5"></a>259 <a·id="a13a463db1e909b9b6d184b76da13fbb5"·name="a13a463db1e909b9b6d184b76da13fbb5"></a>
260 <h2·class="memtitle"><span·class="permalink"><a·href="#a13a463db1e909b9b6d184b76da13fbb5">&#9670;&nbsp;</a></span>syntax_tree_</h2>260 <h2·class="memtitle"><span·class="permalink"><a·href="#a13a463db1e909b9b6d184b76da13fbb5">&#9670;&nbsp;</a></span>syntax_tree_</h2>
  
261 <div·class="memitem">261 <div·class="memitem">
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274 ··</td>274 ··</td>
275 ··<td·class="mlabels-right">275 ··<td·class="mlabels-right">
276 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>276 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
277 ··</tr>277 ··</tr>
278 </table>278 </table>
279 </div><div·class="memdoc">279 </div><div·class="memdoc">
  
280 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dc9/a00389_source.html#l00183">183</a>·of·file·<a·class="el"·href="../../dc/dc9/a00389_source.html">expressionParser.h</a>.</p>280 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a00521_source.html#l00183">183</a>·of·file·<a·class="el"·href="../../d7/def/a00521_source.html">expressionParser.h</a>.</p>
  
281 </div>281 </div>
282 </div>282 </div>
283 </div><!--·contents·-->283 </div><!--·contents·-->
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285 <hr·class="footer"/><address·class="footer"><small>285 <hr·class="footer"/><address·class="footer"><small>
286 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4286 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d4/d6e/a03099.html">List·of·all·members</a>··</div>71 <a·href="../../d4/d6e/a03099.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Exception::NotImplemented·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::NotImplemented·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Exception::NotImplemented:</div>77 Inheritance·diagram·for·BALL::Exception::NotImplemented:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d8/d4f/a03102.png"·usemap="#BALL::Exception::NotImplemented_map"·alt=""/>80 ··<img·src="../../d8/d4f/a03102.png"·usemap="#BALL::Exception::NotImplemented_map"·alt=""/>
81 ··<map·id="BALL::Exception::NotImplemented_map"·name="BALL::Exception::NotImplemented_map">81 ··<map·id="BALL::Exception::NotImplemented_map"·name="BALL::Exception::NotImplemented_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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131 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>131 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>Not·implemented·exception.·This·exception·should·be·thrown·to·indicate·not·yet·inplemented·methods.·If·you·take·the·time·to·use·the·detailed·constructor·instead·of·the·default·constructor,·identification·of·the·concerned·source·will·get·<b>·much·</b>·easier!·</p>136 <div·class="textblock"><p·>Not·implemented·exception.·This·exception·should·be·thrown·to·indicate·not·yet·inplemented·methods.·If·you·take·the·time·to·use·the·detailed·constructor·instead·of·the·default·constructor,·identification·of·the·concerned·source·will·get·<b>·much·</b>·easier!·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00292">292</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00292">292</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="a0580a2b58ec82b75a9ede886cf26522b"·name="a0580a2b58ec82b75a9ede886cf26522b"></a>139 <a·id="a0580a2b58ec82b75a9ede886cf26522b"·name="a0580a2b58ec82b75a9ede886cf26522b"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a0580a2b58ec82b75a9ede886cf26522b">&#9670;&nbsp;</a></span>NotImplemented()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a0580a2b58ec82b75a9ede886cf26522b">&#9670;&nbsp;</a></span>NotImplemented()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
142 <div·class="memproto">142 <div·class="memproto">
143 ······<table·class="memname">143 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../dc/df9/a07367.html">List·of·all·members</a>··</div>71 <a·href="../../dc/df9/a07367.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::TMutex&lt;·QMutex·&gt;·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TMutex&lt;·QMutex·&gt;·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../de/db5/a01730_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::TMutex&lt;·QMutex·&gt;:</div>77 Inheritance·diagram·for·BALL::TMutex&lt;·QMutex·&gt;:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d8/d4f/a07370.png"·alt=""/>80 ··<img·src="../../d8/d4f/a07370.png"·alt=""/>
81 ·</div></div>81 ·</div></div>
82 <table·class="memberdecls">82 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
84 Public·Member·Functions</h2></td></tr>84 Public·Member·Functions</h2></td></tr>
85 <tr·class="memitem:a864b5eba099a42e989c25cbbf09089c2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d4f/a07370.html#a864b5eba099a42e989c25cbbf09089c2">TMutex</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·is_recursive=false)</td></tr>85 <tr·class="memitem:a864b5eba099a42e989c25cbbf09089c2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d4f/a07370.html#a864b5eba099a42e989c25cbbf09089c2">TMutex</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·is_recursive=false)</td></tr>
86 <tr·class="separator:a864b5eba099a42e989c25cbbf09089c2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:a864b5eba099a42e989c25cbbf09089c2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table>87 </table>
88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
89 <div·class="textblock">89 <div·class="textblock">
90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">mutex.h</a>.</p>90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
91 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>91 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
92 <a·id="a864b5eba099a42e989c25cbbf09089c2"·name="a864b5eba099a42e989c25cbbf09089c2"></a>92 <a·id="a864b5eba099a42e989c25cbbf09089c2"·name="a864b5eba099a42e989c25cbbf09089c2"></a>
93 <h2·class="memtitle"><span·class="permalink"><a·href="#a864b5eba099a42e989c25cbbf09089c2">&#9670;&nbsp;</a></span>TMutex()</h2>93 <h2·class="memtitle"><span·class="permalink"><a·href="#a864b5eba099a42e989c25cbbf09089c2">&#9670;&nbsp;</a></span>TMutex()</h2>
  
94 <div·class="memitem">94 <div·class="memitem">
95 <div·class="memproto">95 <div·class="memproto">
96 <table·class="mlabels">96 <table·class="mlabels">
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111 ··<td·class="mlabels-right">111 ··<td·class="mlabels-right">
112 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>112 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
113 ··</tr>113 ··</tr>
114 </table>114 </table>
115 </div><div·class="memdoc">115 </div><div·class="memdoc">
  
116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">mutex.h</a>.</p>116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
  
117 </div>117 </div>
118 </div>118 </div>
119 </div><!--·contents·-->119 </div><!--·contents·-->
120 <!--·start·footer·part·-->120 <!--·start·footer·part·-->
121 <hr·class="footer"/><address·class="footer"><small>121 <hr·class="footer"/><address·class="footer"><small>
122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../d1/d42/a03979.html">List·of·all·members</a>··</div>71 <a·href="../../d1/d42/a03979.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::MOLFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::MOLFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/dee/a00008_source.html">BALL/FORMAT/MOLFile.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d54/a00938_source.html">BALL/FORMAT/MOLFile.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::MOLFile:</div>77 Inheritance·diagram·for·BALL::MOLFile:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d8/d56/a03982.png"·usemap="#BALL::MOLFile_map"·alt=""/>80 ··<img·src="../../d8/d56/a03982.png"·usemap="#BALL::MOLFile_map"·alt=""/>
81 ··<map·id="BALL::MOLFile_map"·name="BALL::MOLFile_map">81 ··<map·id="BALL::MOLFile_map"·name="BALL::MOLFile_map">
82 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>82 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>
Offset 426, 15 lines modifiedOffset 426, 15 lines modified
426 <tr·class="separator:aa2e31799b270990fd18ca981b68229be·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>426 <tr·class="separator:aa2e31799b270990fd18ca981b68229be·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
427 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>427 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>
428 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>428 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
429 </table>429 </table>
430 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>430 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
431 <div·class="textblock"><p·>MDL·MOL·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·MDL·MOL·files.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>431 <div·class="textblock"><p·>MDL·MOL·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·MDL·MOL·files.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
432 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dee/a00008_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d4/dee/a00008_source.html">MOLFile.h</a>.</p>432 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d54/a00938_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d5/d54/a00938_source.html">MOLFile.h</a>.</p>
433 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>433 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
434 <a·id="af8989810d99b7114b3781cd756d14ece"·name="af8989810d99b7114b3781cd756d14ece"></a>434 <a·id="af8989810d99b7114b3781cd756d14ece"·name="af8989810d99b7114b3781cd756d14ece"></a>
435 <h2·class="memtitle"><span·class="permalink"><a·href="#af8989810d99b7114b3781cd756d14ece">&#9670;&nbsp;</a></span>MOLFile()·<span·class="overload">[1/2]</span></h2>435 <h2·class="memtitle"><span·class="permalink"><a·href="#af8989810d99b7114b3781cd756d14ece">&#9670;&nbsp;</a></span>MOLFile()·<span·class="overload">[1/2]</span></h2>
  
436 <div·class="memitem">436 <div·class="memitem">
437 <div·class="memproto">437 <div·class="memproto">
438 ······<table·class="memname">438 ······<table·class="memname">
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892 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>892 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>
893 ··</tr>893 ··</tr>
894 </table>894 </table>
895 </div><div·class="memdoc">895 </div><div·class="memdoc">
  
896 <p>The·format·of·an·entry·of·the·atom·block.·</p>896 <p>The·format·of·an·entry·of·the·atom·block.·</p>
  
897 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dee/a00008_source.html#l00177">177</a>·of·file·<a·class="el"·href="../../d4/dee/a00008_source.html">MOLFile.h</a>.</p>897 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d54/a00938_source.html#l00177">177</a>·of·file·<a·class="el"·href="../../d5/d54/a00938_source.html">MOLFile.h</a>.</p>
  
898 </div>898 </div>
899 </div>899 </div>
900 <a·id="a2d014e550f586ae444296bdc04381c0e"·name="a2d014e550f586ae444296bdc04381c0e"></a>900 <a·id="a2d014e550f586ae444296bdc04381c0e"·name="a2d014e550f586ae444296bdc04381c0e"></a>
901 <h2·class="memtitle"><span·class="permalink"><a·href="#a2d014e550f586ae444296bdc04381c0e">&#9670;&nbsp;</a></span>bond_format_</h2>901 <h2·class="memtitle"><span·class="permalink"><a·href="#a2d014e550f586ae444296bdc04381c0e">&#9670;&nbsp;</a></span>bond_format_</h2>
  
902 <div·class="memitem">902 <div·class="memitem">
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918 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>918 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>
919 ··</tr>919 ··</tr>
920 </table>920 </table>
921 </div><div·class="memdoc">921 </div><div·class="memdoc">
  
922 <p>The·format·of·an·entry·of·the·bond·block.·</p>922 <p>The·format·of·an·entry·of·the·bond·block.·</p>
  
923 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dee/a00008_source.html#l00180">180</a>·of·file·<a·class="el"·href="../../d4/dee/a00008_source.html">MOLFile.h</a>.</p>923 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d54/a00938_source.html#l00180">180</a>·of·file·<a·class="el"·href="../../d5/d54/a00938_source.html">MOLFile.h</a>.</p>
  
924 </div>924 </div>
925 </div>925 </div>
926 <a·id="abcae4cc76819db1d4c2d00b4a5b95b14"·name="abcae4cc76819db1d4c2d00b4a5b95b14"></a>926 <a·id="abcae4cc76819db1d4c2d00b4a5b95b14"·name="abcae4cc76819db1d4c2d00b4a5b95b14"></a>
927 <h2·class="memtitle"><span·class="permalink"><a·href="#abcae4cc76819db1d4c2d00b4a5b95b14">&#9670;&nbsp;</a></span>counts_format_</h2>927 <h2·class="memtitle"><span·class="permalink"><a·href="#abcae4cc76819db1d4c2d00b4a5b95b14">&#9670;&nbsp;</a></span>counts_format_</h2>
  
928 <div·class="memitem">928 <div·class="memitem">
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944 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>944 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>
945 ··</tr>945 ··</tr>
946 </table>946 </table>
947 </div><div·class="memdoc">947 </div><div·class="memdoc">
  
948 <p>The·format·of·the·counts·line.·</p>948 <p>The·format·of·the·counts·line.·</p>
  
949 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dee/a00008_source.html#l00174">174</a>·of·file·<a·class="el"·href="../../d4/dee/a00008_source.html">MOLFile.h</a>.</p>949 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d54/a00938_source.html#l00174">174</a>·of·file·<a·class="el"·href="../../d5/d54/a00938_source.html">MOLFile.h</a>.</p>
  
950 </div>950 </div>
951 </div>951 </div>
952 </div><!--·contents·-->952 </div><!--·contents·-->
953 <!--·start·footer·part·-->953 <!--·start·footer·part·-->
954 <hr·class="footer"/><address·class="footer"><small>954 <hr·class="footer"/><address·class="footer"><small>
955 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4955 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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6.49 KB
./usr/share/doc/libball1.5/html/BALL/d8/d56/a07846.html
    
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../da/db4/a07843.html">List·of·all·members</a>··</div>70 <a·href="../../da/db4/a07843.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GeometricObjectSelectionMessage·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GeometricObjectSelectionMessage·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d0/d39/a01112_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::GeometricObjectSelectionMessage:</div>76 Inheritance·diagram·for·BALL::VIEW::GeometricObjectSelectionMessage:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d8/d56/a07846.png"·usemap="#BALL::VIEW::GeometricObjectSelectionMessage_map"·alt=""/>79 ··<img·src="../../d8/d56/a07846.png"·usemap="#BALL::VIEW::GeometricObjectSelectionMessage_map"·alt=""/>
80 ··<map·id="BALL::VIEW::GeometricObjectSelectionMessage_map"·name="BALL::VIEW::GeometricObjectSelectionMessage_map">80 ··<map·id="BALL::VIEW::GeometricObjectSelectionMessage_map"·name="BALL::VIEW::GeometricObjectSelectionMessage_map">
81 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,283,24"/>81 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,283,24"/>
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120 <tr·class="memdesc:a639cd371dbaf32bb1aa7060029317010"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Query·if·the·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·are·selected·or·deselected.··<a·href="../../d8/d56/a07846.html#a639cd371dbaf32bb1aa7060029317010">More...</a><br·/></td></tr>120 <tr·class="memdesc:a639cd371dbaf32bb1aa7060029317010"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Query·if·the·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·are·selected·or·deselected.··<a·href="../../d8/d56/a07846.html#a639cd371dbaf32bb1aa7060029317010">More...</a><br·/></td></tr>
121 <tr·class="separator:a639cd371dbaf32bb1aa7060029317010"><td·class="memSeparator"·colspan="2">&#160;</td></tr>121 <tr·class="separator:a639cd371dbaf32bb1aa7060029317010"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
122 </table>122 </table>
123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
124 <div·class="textblock"><p·><a·class="el"·href="../../d8/d56/a07846.html">GeometricObjectSelectionMessage</a>·class.·</p><dl·class="section·user"><dt></dt><dd>Sent·by·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a>·after·picking·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>.·</dd></dl>124 <div·class="textblock"><p·><a·class="el"·href="../../d8/d56/a07846.html">GeometricObjectSelectionMessage</a>·class.·</p><dl·class="section·user"><dt></dt><dd>Sent·by·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a>·after·picking·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>.·</dd></dl>
125 <dl·class="section·user"><dt></dt><dd>Caught·by·<a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>.·</dd></dl>125 <dl·class="section·user"><dt></dt><dd>Caught·by·<a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>.·</dd></dl>
  
126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00516">516</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00516">516</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
127 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>127 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
128 <a·id="a34271a218f01b5cf61ceaaebf3e3d0cb"·name="a34271a218f01b5cf61ceaaebf3e3d0cb"></a>128 <a·id="a34271a218f01b5cf61ceaaebf3e3d0cb"·name="a34271a218f01b5cf61ceaaebf3e3d0cb"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#a34271a218f01b5cf61ceaaebf3e3d0cb">&#9670;&nbsp;</a></span>GeometricObjectSelectionMessage()</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#a34271a218f01b5cf61ceaaebf3e3d0cb">&#9670;&nbsp;</a></span>GeometricObjectSelectionMessage()</h2>
  
130 <div·class="memitem">130 <div·class="memitem">
131 <div·class="memproto">131 <div·class="memproto">
132 ······<table·class="memname">132 ······<table·class="memname">
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191 ··<td·class="mlabels-right">191 ··<td·class="mlabels-right">
192 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>192 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
193 ··</tr>193 ··</tr>
194 </table>194 </table>
195 </div><div·class="memdoc">195 </div><div·class="memdoc">
196 <p·>Non-mutable·inspection·of·the·selection·of·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·</p>196 <p·>Non-mutable·inspection·of·the·selection·of·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·</p>
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00545">545</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00545">545</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
198 </div>198 </div>
199 </div>199 </div>
200 <a·id="a639cd371dbaf32bb1aa7060029317010"·name="a639cd371dbaf32bb1aa7060029317010"></a>200 <a·id="a639cd371dbaf32bb1aa7060029317010"·name="a639cd371dbaf32bb1aa7060029317010"></a>
201 <h2·class="memtitle"><span·class="permalink"><a·href="#a639cd371dbaf32bb1aa7060029317010">&#9670;&nbsp;</a></span>isSelected()</h2>201 <h2·class="memtitle"><span·class="permalink"><a·href="#a639cd371dbaf32bb1aa7060029317010">&#9670;&nbsp;</a></span>isSelected()</h2>
  
202 <div·class="memitem">202 <div·class="memitem">
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220 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>220 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
221 ··</tr>221 ··</tr>
222 </table>222 </table>
223 </div><div·class="memdoc">223 </div><div·class="memdoc">
  
224 <p>Query·if·the·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·are·selected·or·deselected.·</p>224 <p>Query·if·the·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·are·selected·or·deselected.·</p>
  
225 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00553">553</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>225 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00553">553</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
226 </div>226 </div>
227 </div>227 </div>
228 <a·id="ab92b3908bd70e8726c857122fa3d7fea"·name="ab92b3908bd70e8726c857122fa3d7fea"></a>228 <a·id="ab92b3908bd70e8726c857122fa3d7fea"·name="ab92b3908bd70e8726c857122fa3d7fea"></a>
229 <h2·class="memtitle"><span·class="permalink"><a·href="#ab92b3908bd70e8726c857122fa3d7fea">&#9670;&nbsp;</a></span>setSelected()</h2>229 <h2·class="memtitle"><span·class="permalink"><a·href="#ab92b3908bd70e8726c857122fa3d7fea">&#9670;&nbsp;</a></span>setSelected()</h2>
  
230 <div·class="memitem">230 <div·class="memitem">
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250 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>250 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
251 ··</tr>251 ··</tr>
252 </table>252 </table>
253 </div><div·class="memdoc">253 </div><div·class="memdoc">
  
254 <p>Set·the·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>'s·to·be·selected·or·deselected.·</p>254 <p>Set·the·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>'s·to·be·selected·or·deselected.·</p>
  
255 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00549">549</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>255 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00549">549</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
256 </div>256 </div>
257 </div>257 </div>
258 <a·id="a5f086ef8556b9f0eca389eb5257879ac"·name="a5f086ef8556b9f0eca389eb5257879ac"></a>258 <a·id="a5f086ef8556b9f0eca389eb5257879ac"·name="a5f086ef8556b9f0eca389eb5257879ac"></a>
259 <h2·class="memtitle"><span·class="permalink"><a·href="#a5f086ef8556b9f0eca389eb5257879ac">&#9670;&nbsp;</a></span>setSelection()</h2>259 <h2·class="memtitle"><span·class="permalink"><a·href="#a5f086ef8556b9f0eca389eb5257879ac">&#9670;&nbsp;</a></span>setSelection()</h2>
  
260 <div·class="memitem">260 <div·class="memitem">
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279 ··<td·class="mlabels-right">279 ··<td·class="mlabels-right">
280 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>280 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
281 ··</tr>281 ··</tr>
282 </table>282 </table>
283 </div><div·class="memdoc">283 </div><div·class="memdoc">
284 <p·>Change·the·selection·of·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·The·selection·list·will·be·copied·from·the·given·list.·</p>284 <p·>Change·the·selection·of·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·The·selection·list·will·be·copied·from·the·given·list.·</p>
  
285 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00540">540</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>285 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00540">540</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
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287 </div>287 </div>
288 </div><!--·contents·-->288 </div><!--·contents·-->
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71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="#pub-attribs">Public·Attributes</a>·&#124;72 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
73 <a·href="../../d6/da1/a07723.html">List·of·all·members</a>··</div>73 <a·href="../../d6/da1/a07723.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SetClippingPlane·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SetClippingPlane·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../de/d9d/a01382_source.html">BALL/VIEW/DIALOGS/setClippingPlane.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d1/d35/a01184_source.html">BALL/VIEW/DIALOGS/setClippingPlane.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::VIEW::SetClippingPlane:</div>79 Inheritance·diagram·for·BALL::VIEW::SetClippingPlane:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d8/d58/a07726.png"·usemap="#BALL::VIEW::SetClippingPlane_map"·alt=""/>82 ··<img·src="../../d8/d58/a07726.png"·usemap="#BALL::VIEW::SetClippingPlane_map"·alt=""/>
83 ··<map·id="BALL::VIEW::SetClippingPlane_map"·name="BALL::VIEW::SetClippingPlane_map">83 ··<map·id="BALL::VIEW::SetClippingPlane_map"·name="BALL::VIEW::SetClippingPlane_map">
84 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,182,24"/>84 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,182,24"/>
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102 Public·Attributes</h2></td></tr>102 Public·Attributes</h2></td></tr>
103 <tr·class="memitem:ad617b9714081300ade36eb8d05fd98de"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/dbc/a07786.html">ClippingPlane</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d58/a07726.html#ad617b9714081300ade36eb8d05fd98de">plane_</a></td></tr>103 <tr·class="memitem:ad617b9714081300ade36eb8d05fd98de"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/dbc/a07786.html">ClippingPlane</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d58/a07726.html#ad617b9714081300ade36eb8d05fd98de">plane_</a></td></tr>
104 <tr·class="separator:ad617b9714081300ade36eb8d05fd98de"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:ad617b9714081300ade36eb8d05fd98de"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 </table>105 </table>
106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
107 <div·class="textblock"><p·>Dialog·to·set·a·clipping·plane·to·a·given·value·</p>107 <div·class="textblock"><p·>Dialog·to·set·a·clipping·plane·to·a·given·value·</p>
  
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d9d/a01382_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../de/d9d/a01382_source.html">setClippingPlane.h</a>.</p>108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">setClippingPlane.h</a>.</p>
109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
110 <a·id="ae8df8c5fdec693cd0f910d28b8a0549f"·name="ae8df8c5fdec693cd0f910d28b8a0549f"></a>110 <a·id="ae8df8c5fdec693cd0f910d28b8a0549f"·name="ae8df8c5fdec693cd0f910d28b8a0549f"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#ae8df8c5fdec693cd0f910d28b8a0549f">&#9670;&nbsp;</a></span>SetClippingPlane()</h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#ae8df8c5fdec693cd0f910d28b8a0549f">&#9670;&nbsp;</a></span>SetClippingPlane()</h2>
  
112 <div·class="memitem">112 <div·class="memitem">
113 <div·class="memproto">113 <div·class="memproto">
114 ······<table·class="memname">114 ······<table·class="memname">
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194 ······<table·class="memname">194 ······<table·class="memname">
195 ········<tr>195 ········<tr>
196 ··········<td·class="memname"><a·class="el"·href="../../dd/dbc/a07786.html">ClippingPlane</a>*·BALL::VIEW::SetClippingPlane::plane_</td>196 ··········<td·class="memname"><a·class="el"·href="../../dd/dbc/a07786.html">ClippingPlane</a>*·BALL::VIEW::SetClippingPlane::plane_</td>
197 ········</tr>197 ········</tr>
198 ······</table>198 ······</table>
199 </div><div·class="memdoc">199 </div><div·class="memdoc">
  
200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d9d/a01382_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../de/d9d/a01382_source.html">setClippingPlane.h</a>.</p>200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">setClippingPlane.h</a>.</p>
  
201 </div>201 </div>
202 </div>202 </div>
203 </div><!--·contents·-->203 </div><!--·contents·-->
204 <!--·start·footer·part·-->204 <!--·start·footer·part·-->
205 <hr·class="footer"/><address·class="footer"><small>205 <hr·class="footer"/><address·class="footer"><small>
206 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4206 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
73 <a·href="../../d8/db2/a06391.html">List·of·all·members</a>··</div>73 <a·href="../../d8/db2/a06391.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::GridedMM·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::GridedMM·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../df/d95/a00299_source.html">BALL/SCORING/FUNCTIONS/gridedMM.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d3/d4e/a01991_source.html">BALL/SCORING/FUNCTIONS/gridedMM.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::GridedMM:</div>79 Inheritance·diagram·for·BALL::GridedMM:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d8/d59/a06394.png"·usemap="#BALL::GridedMM_map"·alt=""/>82 ··<img·src="../../d8/d59/a06394.png"·usemap="#BALL::GridedMM_map"·alt=""/>
83 ··<map·id="BALL::GridedMM_map"·name="BALL::GridedMM_map">83 ··<map·id="BALL::GridedMM_map"·name="BALL::GridedMM_map">
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493 <tr·class="inherit_header·pub_static_attribs_a06166"><td·colspan="2"·onclick="javascript:toggleInherit('pub_static_attribs_a06166')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Public·Attributes·inherited·from·<a·class="el"·href="../../d0/d64/a06166.html">BALL::ScoringFunction</a></td></tr>493 <tr·class="inherit_header·pub_static_attribs_a06166"><td·colspan="2"·onclick="javascript:toggleInherit('pub_static_attribs_a06166')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Public·Attributes·inherited·from·<a·class="el"·href="../../d0/d64/a06166.html">BALL::ScoringFunction</a></td></tr>
494 <tr·class="memitem:a2df2601043e50488cb2f20981a4604d8·inherit·pub_static_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a2df2601043e50488cb2f20981a4604d8">SUBCATEGORY_NAME</a></td></tr>494 <tr·class="memitem:a2df2601043e50488cb2f20981a4604d8·inherit·pub_static_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a2df2601043e50488cb2f20981a4604d8">SUBCATEGORY_NAME</a></td></tr>
495 <tr·class="separator:a2df2601043e50488cb2f20981a4604d8·inherit·pub_static_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>495 <tr·class="separator:a2df2601043e50488cb2f20981a4604d8·inherit·pub_static_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
496 </table>496 </table>
497 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>497 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
498 <div·class="textblock">498 <div·class="textblock">
499 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d95/a00299_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../df/d95/a00299_source.html">gridedMM.h</a>.</p>499 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4e/a01991_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d3/d4e/a01991_source.html">gridedMM.h</a>.</p>
500 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>500 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
501 <a·id="ad14af2db167abc61a08b769a67fe7783"·name="ad14af2db167abc61a08b769a67fe7783"></a>501 <a·id="ad14af2db167abc61a08b769a67fe7783"·name="ad14af2db167abc61a08b769a67fe7783"></a>
502 <h2·class="memtitle"><span·class="permalink"><a·href="#ad14af2db167abc61a08b769a67fe7783">&#9670;&nbsp;</a></span>GridedMM()·<span·class="overload">[1/2]</span></h2>502 <h2·class="memtitle"><span·class="permalink"><a·href="#ad14af2db167abc61a08b769a67fe7783">&#9670;&nbsp;</a></span>GridedMM()·<span·class="overload">[1/2]</span></h2>
  
503 <div·class="memitem">503 <div·class="memitem">
504 <div·class="memproto">504 <div·class="memproto">
505 ······<table·class="memname">505 ······<table·class="memname">
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663 ··</td>663 ··</td>
664 ··<td·class="mlabels-right">664 ··<td·class="mlabels-right">
665 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>665 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
666 ··</tr>666 ··</tr>
667 </table>667 </table>
668 </div><div·class="memdoc">668 </div><div·class="memdoc">
  
669 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d95/a00299_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../df/d95/a00299_source.html">gridedMM.h</a>.</p>669 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4e/a01991_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d3/d4e/a01991_source.html">gridedMM.h</a>.</p>
  
670 </div>670 </div>
671 </div>671 </div>
672 </div><!--·contents·-->672 </div><!--·contents·-->
673 <!--·start·footer·part·-->673 <!--·start·footer·part·-->
674 <hr·class="footer"/><address·class="footer"><small>674 <hr·class="footer"/><address·class="footer"><small>
675 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4675 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../dc/d23/a06511.html">List·of·all·members</a>··</div>71 <a·href="../../dc/d23/a06511.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Pair6_12RDFIntegrator::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Pair6_12RDFIntegrator::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/db3/a01751_source.html">BALL/SOLVATION/pair6_12RDFIntegrator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/dca/a01907_source.html">BALL/SOLVATION/pair6_12RDFIntegrator.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:ad62c2684fdf71a2e531b0cc57bda7028"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d63/a06514.html#ad62c2684fdf71a2e531b0cc57bda7028">VERBOSITY</a></td></tr>79 <tr·class="memitem:ad62c2684fdf71a2e531b0cc57bda7028"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d63/a06514.html#ad62c2684fdf71a2e531b0cc57bda7028">VERBOSITY</a></td></tr>
80 <tr·class="separator:ad62c2684fdf71a2e531b0cc57bda7028"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:ad62c2684fdf71a2e531b0cc57bda7028"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:af1a7f86be26ef5b1072a15219ad9bd3a"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d63/a06514.html#af1a7f86be26ef5b1072a15219ad9bd3a">METHOD</a></td></tr>81 <tr·class="memitem:af1a7f86be26ef5b1072a15219ad9bd3a"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d63/a06514.html#af1a7f86be26ef5b1072a15219ad9bd3a">METHOD</a></td></tr>
82 <tr·class="separator:af1a7f86be26ef5b1072a15219ad9bd3a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:af1a7f86be26ef5b1072a15219ad9bd3a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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84 <tr·class="separator:a9fab64a6f306c2106c0644e9ddc17035"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a9fab64a6f306c2106c0644e9ddc17035"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock">87 <div·class="textblock">
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db3/a01751_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../d5/db3/a01751_source.html">pair6_12RDFIntegrator.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">pair6_12RDFIntegrator.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="af1a7f86be26ef5b1072a15219ad9bd3a"·name="af1a7f86be26ef5b1072a15219ad9bd3a"></a>90 <a·id="af1a7f86be26ef5b1072a15219ad9bd3a"·name="af1a7f86be26ef5b1072a15219ad9bd3a"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#af1a7f86be26ef5b1072a15219ad9bd3a">&#9670;&nbsp;</a></span>METHOD</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#af1a7f86be26ef5b1072a15219ad9bd3a">&#9670;&nbsp;</a></span>METHOD</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
93 <div·class="memproto">93 <div·class="memproto">
94 <table·class="mlabels">94 <table·class="mlabels">
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105 ··<td·class="mlabels-right">105 ··<td·class="mlabels-right">
106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
107 ··</tr>107 ··</tr>
108 </table>108 </table>
109 </div><div·class="memdoc">109 </div><div·class="memdoc">
110 <p·><a·class="el"·href="../../d8/d63/a06514.html">Default</a>·integration·method.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d5/d44/a06510.html#a8355ac66baf1d3cf537233e8c97a7d4a">Option::METHOD</a>·</dd></dl>110 <p·><a·class="el"·href="../../d8/d63/a06514.html">Default</a>·integration·method.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d5/d44/a06510.html#a8355ac66baf1d3cf537233e8c97a7d4a">Option::METHOD</a>·</dd></dl>
  
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db3/a01751_source.html#l00079">79</a>·of·file·<a·class="el"·href="../../d5/db3/a01751_source.html">pair6_12RDFIntegrator.h</a>.</p>111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00079">79</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">pair6_12RDFIntegrator.h</a>.</p>
  
112 </div>112 </div>
113 </div>113 </div>
114 <a·id="a9fab64a6f306c2106c0644e9ddc17035"·name="a9fab64a6f306c2106c0644e9ddc17035"></a>114 <a·id="a9fab64a6f306c2106c0644e9ddc17035"·name="a9fab64a6f306c2106c0644e9ddc17035"></a>
115 <h2·class="memtitle"><span·class="permalink"><a·href="#a9fab64a6f306c2106c0644e9ddc17035">&#9670;&nbsp;</a></span>SAMPLES</h2>115 <h2·class="memtitle"><span·class="permalink"><a·href="#a9fab64a6f306c2106c0644e9ddc17035">&#9670;&nbsp;</a></span>SAMPLES</h2>
  
116 <div·class="memitem">116 <div·class="memitem">
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130 ··<td·class="mlabels-right">130 ··<td·class="mlabels-right">
131 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>131 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
132 ··</tr>132 ··</tr>
133 </table>133 </table>
134 </div><div·class="memdoc">134 </div><div·class="memdoc">
135 <p·><a·class="el"·href="../../d8/d63/a06514.html">Default</a>·number·of·inetgartion·samples.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d5/d44/a06510.html#ae1c2eab9a90ffc6a4c4dd1c47793988d">Option::SAMPLES</a>·</dd></dl>135 <p·><a·class="el"·href="../../d8/d63/a06514.html">Default</a>·number·of·inetgartion·samples.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d5/d44/a06510.html#ae1c2eab9a90ffc6a4c4dd1c47793988d">Option::SAMPLES</a>·</dd></dl>
  
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db3/a01751_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../d5/db3/a01751_source.html">pair6_12RDFIntegrator.h</a>.</p>136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">pair6_12RDFIntegrator.h</a>.</p>
  
137 </div>137 </div>
138 </div>138 </div>
139 <a·id="ad62c2684fdf71a2e531b0cc57bda7028"·name="ad62c2684fdf71a2e531b0cc57bda7028"></a>139 <a·id="ad62c2684fdf71a2e531b0cc57bda7028"·name="ad62c2684fdf71a2e531b0cc57bda7028"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#ad62c2684fdf71a2e531b0cc57bda7028">&#9670;&nbsp;</a></span>VERBOSITY</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#ad62c2684fdf71a2e531b0cc57bda7028">&#9670;&nbsp;</a></span>VERBOSITY</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
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155 ··<td·class="mlabels-right">155 ··<td·class="mlabels-right">
156 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>156 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
157 ··</tr>157 ··</tr>
158 </table>158 </table>
159 </div><div·class="memdoc">159 </div><div·class="memdoc">
160 <p·><a·class="el"·href="../../d8/d63/a06514.html">Default</a>·verbosity·level.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d5/d44/a06510.html#a75869d6b1020a34b3014f64001058cea">Option::VERBOSITY</a>·</dd></dl>160 <p·><a·class="el"·href="../../d8/d63/a06514.html">Default</a>·verbosity·level.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d5/d44/a06510.html#a75869d6b1020a34b3014f64001058cea">Option::VERBOSITY</a>·</dd></dl>
  
161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db3/a01751_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d5/db3/a01751_source.html">pair6_12RDFIntegrator.h</a>.</p>161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">pair6_12RDFIntegrator.h</a>.</p>
  
162 </div>162 </div>
163 </div>163 </div>
164 </div><!--·contents·-->164 </div><!--·contents·-->
165 <!--·start·footer·part·-->165 <!--·start·footer·part·-->
166 <hr·class="footer"/><address·class="footer"><small>166 <hr·class="footer"/><address·class="footer"><small>
167 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4167 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RepresentationMessage·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RepresentationMessage·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p>Base·class·for·all·messages·concerning·a·<a·class="el"·href="../../d6/de8/a07934.html">Representation</a>.··76 <p>Base·class·for·all·messages·concerning·a·<a·class="el"·href="../../d6/de8/a07934.html">Representation</a>.··
77 ·<a·href="../../d8/d6c/a07850.html#details">More...</a></p>77 ·<a·href="../../d8/d6c/a07850.html#details">More...</a></p>
  
78 <p><code>#include·&lt;<a·class="el"·href="../../d0/d39/a01112_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
80 Inheritance·diagram·for·BALL::VIEW::RepresentationMessage:</div>80 Inheritance·diagram·for·BALL::VIEW::RepresentationMessage:</div>
81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../d8/d6c/a07850.png"·usemap="#BALL::VIEW::RepresentationMessage_map"·alt=""/>83 ··<img·src="../../d8/d6c/a07850.png"·usemap="#BALL::VIEW::RepresentationMessage_map"·alt=""/>
84 ··<map·id="BALL::VIEW::RepresentationMessage_map"·name="BALL::VIEW::RepresentationMessage_map">84 ··<map·id="BALL::VIEW::RepresentationMessage_map"·name="BALL::VIEW::RepresentationMessage_map">
85 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,221,24"/>85 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,221,24"/>
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140 <tr·class="separator:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>141 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>
142 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>142 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
143 </table>143 </table>
144 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>144 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
145 <div·class="textblock"><p·>Base·class·for·all·messages·concerning·a·<a·class="el"·href="../../d6/de8/a07934.html">Representation</a>.·</p>145 <div·class="textblock"><p·>Base·class·for·all·messages·concerning·a·<a·class="el"·href="../../d6/de8/a07934.html">Representation</a>.·</p>
  
146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00569">569</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00569">569</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
147 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>147 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
148 <a·id="a01decc94160ffa53705c630449e8ff14"·name="a01decc94160ffa53705c630449e8ff14"></a>148 <a·id="a01decc94160ffa53705c630449e8ff14"·name="a01decc94160ffa53705c630449e8ff14"></a>
149 <h2·class="memtitle"><span·class="permalink"><a·href="#a01decc94160ffa53705c630449e8ff14">&#9670;&nbsp;</a></span>RepresentationMessageType</h2>149 <h2·class="memtitle"><span·class="permalink"><a·href="#a01decc94160ffa53705c630449e8ff14">&#9670;&nbsp;</a></span>RepresentationMessageType</h2>
  
150 <div·class="memitem">150 <div·class="memitem">
151 <div·class="memproto">151 <div·class="memproto">
152 ······<table·class="memname">152 ······<table·class="memname">
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176 </td></tr>176 </td></tr>
177 <tr><td·class="fieldname"><a·id="a01decc94160ffa53705c630449e8ff14a098685fc84e37accf077673b92af371f"·name="a01decc94160ffa53705c630449e8ff14a098685fc84e37accf077673b92af371f"></a>ADD_TO_GEOMETRIC_CONTROL&#160;</td><td·class="fielddoc"><p·>Add·a·<a·class="el"·href="../../d6/de8/a07934.html">Representation</a>·to·<a·class="el"·href="../../da/da3/a08394.html">GeometricControl</a>,·but·don't·update·in·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a>.·</p>177 <tr><td·class="fieldname"><a·id="a01decc94160ffa53705c630449e8ff14a098685fc84e37accf077673b92af371f"·name="a01decc94160ffa53705c630449e8ff14a098685fc84e37accf077673b92af371f"></a>ADD_TO_GEOMETRIC_CONTROL&#160;</td><td·class="fielddoc"><p·>Add·a·<a·class="el"·href="../../d6/de8/a07934.html">Representation</a>·to·<a·class="el"·href="../../da/da3/a08394.html">GeometricControl</a>,·but·don't·update·in·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a>.·</p>
178 </td></tr>178 </td></tr>
179 <tr><td·class="fieldname"><a·id="a01decc94160ffa53705c630449e8ff14a111fdc78d7b8ccbf428a3d62c028c366"·name="a01decc94160ffa53705c630449e8ff14a111fdc78d7b8ccbf428a3d62c028c366"></a>UPDATE_PROPERTIES&#160;</td><td·class="fielddoc"><p·>Update·properties·of·<a·class="el"·href="../../d6/de8/a07934.html">Representation</a>·in·<a·class="el"·href="../../da/da3/a08394.html">GeometricControl</a>,·but·don't·update·in·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a>.·</p>179 <tr><td·class="fieldname"><a·id="a01decc94160ffa53705c630449e8ff14a111fdc78d7b8ccbf428a3d62c028c366"·name="a01decc94160ffa53705c630449e8ff14a111fdc78d7b8ccbf428a3d62c028c366"></a>UPDATE_PROPERTIES&#160;</td><td·class="fielddoc"><p·>Update·properties·of·<a·class="el"·href="../../d6/de8/a07934.html">Representation</a>·in·<a·class="el"·href="../../da/da3/a08394.html">GeometricControl</a>,·but·don't·update·in·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a>.·</p>
180 </td></tr>180 </td></tr>
181 </table>181 </table>
  
182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00574">574</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00574">574</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
183 </div>183 </div>
184 </div>184 </div>
185 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>185 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
186 <a·id="a0ce17144feb24c4a6255129ef2fcc399"·name="a0ce17144feb24c4a6255129ef2fcc399"></a>186 <a·id="a0ce17144feb24c4a6255129ef2fcc399"·name="a0ce17144feb24c4a6255129ef2fcc399"></a>
187 <h2·class="memtitle"><span·class="permalink"><a·href="#a0ce17144feb24c4a6255129ef2fcc399">&#9670;&nbsp;</a></span>RepresentationMessage()·<span·class="overload">[1/2]</span></h2>187 <h2·class="memtitle"><span·class="permalink"><a·href="#a0ce17144feb24c4a6255129ef2fcc399">&#9670;&nbsp;</a></span>RepresentationMessage()·<span·class="overload">[1/2]</span></h2>
  
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275 ··</td>275 ··</td>
276 ··<td·class="mlabels-right">276 ··<td·class="mlabels-right">
277 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>277 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
278 ··</tr>278 ··</tr>
279 </table>279 </table>
280 </div><div·class="memdoc">280 </div><div·class="memdoc">
  
281 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00618">618</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>281 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00618">618</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
282 </div>282 </div>
283 </div>283 </div>
284 <a·id="a3fc34af75de526b804780141dfd8ae29"·name="a3fc34af75de526b804780141dfd8ae29"></a>284 <a·id="a3fc34af75de526b804780141dfd8ae29"·name="a3fc34af75de526b804780141dfd8ae29"></a>
285 <h2·class="memtitle"><span·class="permalink"><a·href="#a3fc34af75de526b804780141dfd8ae29">&#9670;&nbsp;</a></span>getType()</h2>285 <h2·class="memtitle"><span·class="permalink"><a·href="#a3fc34af75de526b804780141dfd8ae29">&#9670;&nbsp;</a></span>getType()</h2>
  
286 <div·class="memitem">286 <div·class="memitem">
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302 ··</td>302 ··</td>
303 ··<td·class="mlabels-right">303 ··<td·class="mlabels-right">
304 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>304 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
305 ··</tr>305 ··</tr>
306 </table>306 </table>
307 </div><div·class="memdoc">307 </div><div·class="memdoc">
  
308 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00625">625</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>308 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00625">625</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
309 </div>309 </div>
310 </div>310 </div>
311 <a·id="ac7123f99dbb53f36e33283a93034c7cc"·name="ac7123f99dbb53f36e33283a93034c7cc"></a>311 <a·id="ac7123f99dbb53f36e33283a93034c7cc"·name="ac7123f99dbb53f36e33283a93034c7cc"></a>
312 <h2·class="memtitle"><span·class="permalink"><a·href="#ac7123f99dbb53f36e33283a93034c7cc">&#9670;&nbsp;</a></span>setRepresentation()</h2>312 <h2·class="memtitle"><span·class="permalink"><a·href="#ac7123f99dbb53f36e33283a93034c7cc">&#9670;&nbsp;</a></span>setRepresentation()</h2>
  
313 <div·class="memitem">313 <div·class="memitem">
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330 ··</td>330 ··</td>
331 ··<td·class="mlabels-right">331 ··<td·class="mlabels-right">
332 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>332 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
333 ··</tr>333 ··</tr>
334 </table>334 </table>
335 </div><div·class="memdoc">335 </div><div·class="memdoc">
  
336 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00614">614</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>336 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00614">614</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
337 </div>337 </div>
338 </div>338 </div>
339 <a·id="a7ab64cccf4d12e335694c17210382625"·name="a7ab64cccf4d12e335694c17210382625"></a>339 <a·id="a7ab64cccf4d12e335694c17210382625"·name="a7ab64cccf4d12e335694c17210382625"></a>
340 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ab64cccf4d12e335694c17210382625">&#9670;&nbsp;</a></span>setType()</h2>340 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ab64cccf4d12e335694c17210382625">&#9670;&nbsp;</a></span>setType()</h2>
  
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;71 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;
72 <a·href="../../df/d42/a03623.html">List·of·all·members</a>··</div>72 <a·href="../../df/d42/a03623.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::Conformation·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::Conformation·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../dc/df9/a00554_source.html">BALL/DOCKING/COMMON/conformation.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../de/d1a/a01559_source.html">BALL/DOCKING/COMMON/conformation.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:ad5ad515c2b359baff33d635dd11a18ae"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d71/a03626.html#ad5ad515c2b359baff33d635dd11a18ae">Conformation</a>·()</td></tr>80 <tr·class="memitem:ad5ad515c2b359baff33d635dd11a18ae"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d71/a03626.html#ad5ad515c2b359baff33d635dd11a18ae">Conformation</a>·()</td></tr>
81 <tr·class="separator:ad5ad515c2b359baff33d635dd11a18ae"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:ad5ad515c2b359baff33d635dd11a18ae"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:ad86b02a2c74d1ba64876545d7294f8a5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d71/a03626.html#ad86b02a2c74d1ba64876545d7294f8a5">Conformation</a>·(<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*parent,·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*conformation_molecule)</td></tr>82 <tr·class="memitem:ad86b02a2c74d1ba64876545d7294f8a5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d71/a03626.html#ad86b02a2c74d1ba64876545d7294f8a5">Conformation</a>·(<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*parent,·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*conformation_molecule)</td></tr>
83 <tr·class="separator:ad86b02a2c74d1ba64876545d7294f8a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:ad86b02a2c74d1ba64876545d7294f8a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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118 <tr·class="memitem:a4d5ae7e2954624f84b0c0bcfade63e4d"><td·class="memItemLeft"·align="right"·valign="top">static·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d71/a03626.html#a4d5ae7e2954624f84b0c0bcfade63e4d">generateHash</a>·(const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*mol,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;hash)</td></tr>118 <tr·class="memitem:a4d5ae7e2954624f84b0c0bcfade63e4d"><td·class="memItemLeft"·align="right"·valign="top">static·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d71/a03626.html#a4d5ae7e2954624f84b0c0bcfade63e4d">generateHash</a>·(const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*mol,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;hash)</td></tr>
119 <tr·class="separator:a4d5ae7e2954624f84b0c0bcfade63e4d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a4d5ae7e2954624f84b0c0bcfade63e4d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·><a·class="el"·href="../../d8/d71/a03626.html">Conformation</a>·class.</p>122 <div·class="textblock"><p·><a·class="el"·href="../../d8/d71/a03626.html">Conformation</a>·class.</p>
123 <p·>This·class·represents·conformations·of·a·molecule·by·simply·storing·the·atom·positions·(Vector3)·of·all·atoms·that·deviate·significantly·from·the·resp.·atom·positions·of·the·base·conformation·(·=·parent·molecule).·Stored·conformations·can·be·applied·to·the·parent·molecule·to·reconstruct·the·conformer·of·the·molecule.·</p>123 <p·>This·class·represents·conformations·of·a·molecule·by·simply·storing·the·atom·positions·(Vector3)·of·all·atoms·that·deviate·significantly·from·the·resp.·atom·positions·of·the·base·conformation·(·=·parent·molecule).·Stored·conformations·can·be·applied·to·the·parent·molecule·to·reconstruct·the·conformer·of·the·molecule.·</p>
  
124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df9/a00554_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../dc/df9/a00554_source.html">conformation.h</a>.</p>124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1a/a01559_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../de/d1a/a01559_source.html">conformation.h</a>.</p>
125 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>125 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
126 <a·id="ad5ad515c2b359baff33d635dd11a18ae"·name="ad5ad515c2b359baff33d635dd11a18ae"></a>126 <a·id="ad5ad515c2b359baff33d635dd11a18ae"·name="ad5ad515c2b359baff33d635dd11a18ae"></a>
127 <h2·class="memtitle"><span·class="permalink"><a·href="#ad5ad515c2b359baff33d635dd11a18ae">&#9670;&nbsp;</a></span>Conformation()·<span·class="overload">[1/3]</span></h2>127 <h2·class="memtitle"><span·class="permalink"><a·href="#ad5ad515c2b359baff33d635dd11a18ae">&#9670;&nbsp;</a></span>Conformation()·<span·class="overload">[1/3]</span></h2>
  
128 <div·class="memitem">128 <div·class="memitem">
129 <div·class="memproto">129 <div·class="memproto">
130 ······<table·class="memname">130 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d3/d65/a03423.html">List·of·all·members</a>··</div>71 <a·href="../../d3/d65/a03423.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::GRAPH::UnconnectedGraphException·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::GRAPH::UnconnectedGraphException·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d07/a01913_source.html">BALL/DATATYPE/GRAPH/graphAlgorithms.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../df/d3b/a00728_source.html">BALL/DATATYPE/GRAPH/graphAlgorithms.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::GRAPH::UnconnectedGraphException:</div>77 Inheritance·diagram·for·BALL::GRAPH::UnconnectedGraphException:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d8/d75/a03426.png"·usemap="#BALL::GRAPH::UnconnectedGraphException_map"·alt=""/>80 ··<img·src="../../d8/d75/a03426.png"·usemap="#BALL::GRAPH::UnconnectedGraphException_map"·alt=""/>
81 ··<map·id="BALL::GRAPH::UnconnectedGraphException_map"·name="BALL::GRAPH::UnconnectedGraphException_map">81 ··<map·id="BALL::GRAPH::UnconnectedGraphException_map"·name="BALL::GRAPH::UnconnectedGraphException_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,262,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,262,80"/>
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133 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>134 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
135 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>135 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
136 </table>136 </table>
137 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>137 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
138 <div·class="textblock"><p·>Is·thrown·if·a·function,·which·operates·on·connected·graphs,·is·called·with·a·unconnected·graph.·</p>138 <div·class="textblock"><p·>Is·thrown·if·a·function,·which·operates·on·connected·graphs,·is·called·with·a·unconnected·graph.·</p>
  
139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d07/a01913_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d4/d07/a01913_source.html">graphAlgorithms.h</a>.</p>139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
140 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>140 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
141 <a·id="a8805d7a872251570341f35172d313361"·name="a8805d7a872251570341f35172d313361"></a>141 <a·id="a8805d7a872251570341f35172d313361"·name="a8805d7a872251570341f35172d313361"></a>
142 <h2·class="memtitle"><span·class="permalink"><a·href="#a8805d7a872251570341f35172d313361">&#9670;&nbsp;</a></span>UnconnectedGraphException()·<span·class="overload">[1/2]</span></h2>142 <h2·class="memtitle"><span·class="permalink"><a·href="#a8805d7a872251570341f35172d313361">&#9670;&nbsp;</a></span>UnconnectedGraphException()·<span·class="overload">[1/2]</span></h2>
  
143 <div·class="memitem">143 <div·class="memitem">
144 <div·class="memproto">144 <div·class="memproto">
145 ······<table·class="memname">145 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../db/d5b/a05007.html">List·of·all·members</a>··</div>71 <a·href="../../db/d5b/a05007.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::GAFFTypeProcessor::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::GAFFTypeProcessor::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d8/d38/a00926_source.html">BALL/MOLMEC/AMBER/GAFFTypeProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/d45/a00011_source.html">BALL/MOLMEC/AMBER/GAFFTypeProcessor.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a9047319a2c3e2f68fb80486048964845"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d79/a05010.html#a9047319a2c3e2f68fb80486048964845">ATOMTYPE_FILENAME</a></td></tr>79 <tr·class="memitem:a9047319a2c3e2f68fb80486048964845"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d79/a05010.html#a9047319a2c3e2f68fb80486048964845">ATOMTYPE_FILENAME</a></td></tr>
80 <tr·class="memdesc:a9047319a2c3e2f68fb80486048964845"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">path·to·the·file·containing·the·atom·type·definitions··<a·href="../../d8/d79/a05010.html#a9047319a2c3e2f68fb80486048964845">More...</a><br·/></td></tr>80 <tr·class="memdesc:a9047319a2c3e2f68fb80486048964845"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">path·to·the·file·containing·the·atom·type·definitions··<a·href="../../d8/d79/a05010.html#a9047319a2c3e2f68fb80486048964845">More...</a><br·/></td></tr>
81 <tr·class="separator:a9047319a2c3e2f68fb80486048964845"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a9047319a2c3e2f68fb80486048964845"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:ad34eb87a6fd5ba50b552d2d20808f034"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d79/a05010.html#ad34eb87a6fd5ba50b552d2d20808f034">GAFF_ATOMTYPE_POSTPROCESSING</a></td></tr>82 <tr·class="memitem:ad34eb87a6fd5ba50b552d2d20808f034"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d79/a05010.html#ad34eb87a6fd5ba50b552d2d20808f034">GAFF_ATOMTYPE_POSTPROCESSING</a></td></tr>
83 <tr·class="memdesc:ad34eb87a6fd5ba50b552d2d20808f034"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">switch·cleanup·of·GAFF·types·(cc=&gt;cd,·...)·on·or·off··<a·href="../../d8/d79/a05010.html#ad34eb87a6fd5ba50b552d2d20808f034">More...</a><br·/></td></tr>83 <tr·class="memdesc:ad34eb87a6fd5ba50b552d2d20808f034"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">switch·cleanup·of·GAFF·types·(cc=&gt;cd,·...)·on·or·off··<a·href="../../d8/d79/a05010.html#ad34eb87a6fd5ba50b552d2d20808f034">More...</a><br·/></td></tr>
84 <tr·class="separator:ad34eb87a6fd5ba50b552d2d20808f034"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:ad34eb87a6fd5ba50b552d2d20808f034"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock">87 <div·class="textblock">
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d38/a00926_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../d8/d38/a00926_source.html">GAFFTypeProcessor.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d45/a00011_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../da/d45/a00011_source.html">GAFFTypeProcessor.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="a9047319a2c3e2f68fb80486048964845"·name="a9047319a2c3e2f68fb80486048964845"></a>90 <a·id="a9047319a2c3e2f68fb80486048964845"·name="a9047319a2c3e2f68fb80486048964845"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#a9047319a2c3e2f68fb80486048964845">&#9670;&nbsp;</a></span>ATOMTYPE_FILENAME</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#a9047319a2c3e2f68fb80486048964845">&#9670;&nbsp;</a></span>ATOMTYPE_FILENAME</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
93 <div·class="memproto">93 <div·class="memproto">
94 <table·class="mlabels">94 <table·class="mlabels">
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106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
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136 <p>switch·cleanup·of·GAFF·types·(cc=&gt;cd,·...)·on·or·off·</p>136 <p>switch·cleanup·of·GAFF·types·(cc=&gt;cd,·...)·on·or·off·</p>
  
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77 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;BALL/VIEW/UIC/ui_geometricFitDialog.h&gt;</code><br·/>77 <code>#include·&lt;BALL/VIEW/UIC/ui_amberConfigurationDialog.h&gt;</code><br·/>
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80 <p><a·href="../../d8/d7a/a01292_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d8/d7a/a01292_source.html">Go·to·the·source·code·of·this·file.</a></p>
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77 <code>#include·&lt;<a·class="el"·href="../../de/dc6/a01502_source.html">BALL/VIEW/DATATYPE/colorUnitHue.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;iostream&gt;</code><br·/>75 <code>#include·&lt;QtOpenGL/qgl.h&gt;</code><br·/>
79 <code>#include·&lt;cstdio&gt;</code><br·/> 
80 <code>#include·&lt;BALL/VIEW/DATATYPE/colorHSV.iC&gt;</code><br·/>76 <code>#include·&lt;BALL/VIEW/RENDERING/glDisplayList.iC&gt;</code><br·/>
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82 <p><a·href="../../d8/d7b/a01478_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d8/d7b/a01478_source.html">Go·to·the·source·code·of·this·file.</a></p>
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73 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·RTpieCpp::MeshHandle·&gt;·Struct·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·RTpieCpp::MeshHandle·&gt;·Struct·Reference</div></div>
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75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d6/d27/a01163_source.html">BALL/VIEW/RENDERING/RENDERERS/rtfactRenderer.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d9/d8b/a01469_source.html">BALL/VIEW/RENDERING/RENDERERS/rtfactRenderer.h</a>&gt;</code></p>
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120 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>120 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#define-members">Macros</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">chain.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">knnModel.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d15/a00416_source.html">BALL/KERNEL/residue.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/dd3/a00428_source.html">BALL/QSAR/allModel.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d6/de1/a00356_source.html">BALL/KERNEL/secondaryStructureIterator.h</a>&gt;</code><br·/> 
77 </div>75 </div>
78 <p><a·href="../../d8/d91/a00410_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d8/d91/a00410_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">77 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>79 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d22/a04494.html">BALL::Chain</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d52/a05734.html">BALL::QSAR::KNNModel</a></td></tr>
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86 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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89 </table><table·class="memberdecls"> 
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
91 Macros</h2></td></tr> 
92 <tr·class="memitem:a9dc8ffbe67ba9320537500a544a37a69"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d91/a00410.html#a9dc8ffbe67ba9320537500a544a37a69">BALL_CHAIN_DEFAULT_NAME</a>&#160;&#160;&#160;'·'</td></tr> 
93 <tr·class="separator:a9dc8ffbe67ba9320537500a544a37a69"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>89 </table>
95 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
96 <a·id="a9dc8ffbe67ba9320537500a544a37a69"·name="a9dc8ffbe67ba9320537500a544a37a69"></a> 
97 <h2·class="memtitle"><span·class="permalink"><a·href="#a9dc8ffbe67ba9320537500a544a37a69">&#9670;&nbsp;</a></span>BALL_CHAIN_DEFAULT_NAME</h2> 
  
98 <div·class="memitem"> 
99 <div·class="memproto"> 
100 ······<table·class="memname"> 
101 ········<tr> 
102 ··········<td·class="memname">#define·BALL_CHAIN_DEFAULT_NAME&#160;&#160;&#160;'·'</td> 
103 ········</tr> 
104 ······</table> 
105 </div><div·class="memdoc"> 
  
106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d91/a00410_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d8/d91/a00410_source.html">chain.h</a>.</p> 
  
107 </div> 
108 </div> 
109 </div><!--·contents·-->90 </div><!--·contents·-->
110 <!--·start·footer·part·-->91 <!--·start·footer·part·-->
111 <hr·class="footer"/><address·class="footer"><small>92 <hr·class="footer"/><address·class="footer"><small>
112 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.493 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 <a·href="../../d0/dca/a04171.html">List·of·all·members</a>··</div>71 <a·href="../../d0/dca/a04171.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordDBREF::InitialDatabaseSegment·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordDBREF::InitialDatabaseSegment·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a718d3211fd4b6b1c5ffe9f19e72ebd1f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d93/a04174.html#a718d3211fd4b6b1c5ffe9f19e72ebd1f">number</a></td></tr>79 <tr·class="memitem:a718d3211fd4b6b1c5ffe9f19e72ebd1f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d93/a04174.html#a718d3211fd4b6b1c5ffe9f19e72ebd1f">number</a></td></tr>
80 <tr·class="separator:a718d3211fd4b6b1c5ffe9f19e72ebd1f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a718d3211fd4b6b1c5ffe9f19e72ebd1f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:af56342db53163abe092cd76c1e28ca09"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#adbbd7264b79f49a28b6a256d54a803ba">AChar</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d93/a04174.html#af56342db53163abe092cd76c1e28ca09">insertion_code</a></td></tr>81 <tr·class="memitem:af56342db53163abe092cd76c1e28ca09"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#adbbd7264b79f49a28b6a256d54a803ba">AChar</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d93/a04174.html#af56342db53163abe092cd76c1e28ca09">insertion_code</a></td></tr>
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84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock">85 <div·class="textblock">
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00606">606</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00606">606</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="af56342db53163abe092cd76c1e28ca09"·name="af56342db53163abe092cd76c1e28ca09"></a>88 <a·id="af56342db53163abe092cd76c1e28ca09"·name="af56342db53163abe092cd76c1e28ca09"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#af56342db53163abe092cd76c1e28ca09">&#9670;&nbsp;</a></span>insertion_code</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#af56342db53163abe092cd76c1e28ca09">&#9670;&nbsp;</a></span>insertion_code</h2>
  
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91 <div·class="memproto">91 <div·class="memproto">
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94 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#adbbd7264b79f49a28b6a256d54a803ba">AChar</a>·BALL::PDB::RecordDBREF::InitialDatabaseSegment::insertion_code</td>94 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#adbbd7264b79f49a28b6a256d54a803ba">AChar</a>·BALL::PDB::RecordDBREF::InitialDatabaseSegment::insertion_code</td>
95 ········</tr>95 ········</tr>
96 ······</table>96 ······</table>
97 </div><div·class="memdoc">97 </div><div·class="memdoc">
  
98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00609">609</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00609">609</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
99 </div>99 </div>
100 </div>100 </div>
101 <a·id="a718d3211fd4b6b1c5ffe9f19e72ebd1f"·name="a718d3211fd4b6b1c5ffe9f19e72ebd1f"></a>101 <a·id="a718d3211fd4b6b1c5ffe9f19e72ebd1f"·name="a718d3211fd4b6b1c5ffe9f19e72ebd1f"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#a718d3211fd4b6b1c5ffe9f19e72ebd1f">&#9670;&nbsp;</a></span>number</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#a718d3211fd4b6b1c5ffe9f19e72ebd1f">&#9670;&nbsp;</a></span>number</h2>
  
103 <div·class="memitem">103 <div·class="memitem">
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112 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordDBREF::InitialDatabaseSegment::number</td>112 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordDBREF::InitialDatabaseSegment::number</td>
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115 </div><div·class="memdoc">115 </div><div·class="memdoc">
  
116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00608">608</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00608">608</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
117 </div>117 </div>
118 </div>118 </div>
119 </div><!--·contents·-->119 </div><!--·contents·-->
120 <!--·start·footer·part·-->120 <!--·start·footer·part·-->
121 <hr·class="footer"/><address·class="footer"><small>121 <hr·class="footer"/><address·class="footer"><small>
122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d3/d30/a06839.html">List·of·all·members</a>··</div>71 <a·href="../../d3/d30/a06839.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ClearRadiusProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ClearRadiusProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00578_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/d18/a01850_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::ClearRadiusProcessor:</div>77 Inheritance·diagram·for·BALL::ClearRadiusProcessor:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d8/d97/a06842.png"·usemap="#BALL::ClearRadiusProcessor_map"·alt=""/>80 ··<img·src="../../d8/d97/a06842.png"·usemap="#BALL::ClearRadiusProcessor_map"·alt=""/>
81 ··<map·id="BALL::ClearRadiusProcessor_map"·name="BALL::ClearRadiusProcessor_map">81 ··<map·id="BALL::ClearRadiusProcessor_map"·name="BALL::ClearRadiusProcessor_map">
82 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>82 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>
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118 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>118 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
119 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Clears·the·radius·of·all·atoms·</p>122 <div·class="textblock"><p·>Clears·the·radius·of·all·atoms·</p>
  
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126 <h2·class="memtitle"><span·class="permalink"><a·href="#a38545bc77e5aeced4ef7d732abbbe9a1">&#9670;&nbsp;</a></span>operator()()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a38545bc77e5aeced4ef7d732abbbe9a1">&#9670;&nbsp;</a></span>operator()()</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d1e/a02093_source.html">BALL/QSAR/classificationModel.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
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76 <p><a·href="../../d8/d98/a02009_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d8/d98/a02009_source.html">Go·to·the·source·code·of·this·file.</a></p>
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79 <p><a·href="../../d8/d9c/a01733_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../d8/d9c/a01733_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">82 <table·class="memberdecls">
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107 <hr·class="footer"/><address·class="footer"><small>96 <hr·class="footer"/><address·class="footer"><small>
108 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.497 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c7a6b3e443e6f200d85971bee20841b.html">GENETICDOCK</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">HTMLPage.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">genes.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/de5/a00209_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/>
75 <code>#include·&lt;QtCore/QHash&gt;</code><br·/>75 <code>#include·&lt;vector&gt;</code><br·/>
76 <code>#include·&lt;QtWebEngineWidgets/QWebEnginePage&gt;</code><br·/>76 <code>#include·&lt;random&gt;</code><br·/>
77 </div>77 </div>
78 <p><a·href="../../d8/daf/a01550_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d8/daf/a01550_source.html">Go·to·the·source·code·of·this·file.</a></p>
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80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d58/a08418.html">BALL::VIEW::HTMLPage</a></td></tr>84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dae/a03754.html">BALL::DoubleGene</a></td></tr>
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87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d9/d49/a06411.html">List·of·all·members</a>··</div>71 <a·href="../../d9/d49/a06411.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::RandomEvaluation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../de/df6/a02197.html">Docking·of·molecular·structures</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::RandomEvaluation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../de/df6/a02197.html">Docking·of·molecular·structures</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/d7b/a00296_source.html">BALL/SCORING/FUNCTIONS/randomEvaluation.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d2b/a01997_source.html">BALL/SCORING/FUNCTIONS/randomEvaluation.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::RandomEvaluation:</div>77 Inheritance·diagram·for·BALL::RandomEvaluation:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d8/db0/a06414.png"·usemap="#BALL::RandomEvaluation_map"·alt=""/>80 ··<img·src="../../d8/db0/a06414.png"·usemap="#BALL::RandomEvaluation_map"·alt=""/>
81 ··<map·id="BALL::RandomEvaluation_map"·name="BALL::RandomEvaluation_map">81 ··<map·id="BALL::RandomEvaluation_map"·name="BALL::RandomEvaluation_map">
82 <area·href="../../d1/d03/a06386.html"·alt="BALL::EnergeticEvaluation"·shape="rect"·coords="0,0,162,24"/>82 <area·href="../../d1/d03/a06386.html"·alt="BALL::EnergeticEvaluation"·shape="rect"·coords="0,0,162,24"/>
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99 <tr·class="separator:a6bac4b9f138f391b4958d8c973a8bee8·inherit·pub_methods_a06386"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:a6bac4b9f138f391b4958d8c973a8bee8·inherit·pub_methods_a06386"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 <tr·class="memitem:a52faa1456d1006789f6b8fe2e9e80beb·inherit·pub_methods_a06386"><td·class="memItemLeft"·align="right"·valign="top">virtual·std::vector&lt;·<a·class="el"·href="../../d6/d81/a03630.html#ab1522298103379bd9dda926b719e2f27">ConformationSet::Conformation</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d03/a06386.html#a52faa1456d1006789f6b8fe2e9e80beb">operator()</a>·(<a·class="el"·href="../../d6/d81/a03630.html">ConformationSet</a>·&amp;conformations)</td></tr>100 <tr·class="memitem:a52faa1456d1006789f6b8fe2e9e80beb·inherit·pub_methods_a06386"><td·class="memItemLeft"·align="right"·valign="top">virtual·std::vector&lt;·<a·class="el"·href="../../d6/d81/a03630.html#ab1522298103379bd9dda926b719e2f27">ConformationSet::Conformation</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d03/a06386.html#a52faa1456d1006789f6b8fe2e9e80beb">operator()</a>·(<a·class="el"·href="../../d6/d81/a03630.html">ConformationSet</a>·&amp;conformations)</td></tr>
101 <tr·class="separator:a52faa1456d1006789f6b8fe2e9e80beb·inherit·pub_methods_a06386"><td·class="memSeparator"·colspan="2">&#160;</td></tr>101 <tr·class="separator:a52faa1456d1006789f6b8fe2e9e80beb·inherit·pub_methods_a06386"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 </table>102 </table>
103 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>103 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
104 <div·class="textblock"><p·>A·basis·class·for·energetic·evaluators·of·docking·results.·This·trivial·class·will·return·the·identity·scoring,·leaving·permutation·and·score·unchanged.·</p>104 <div·class="textblock"><p·>A·basis·class·for·energetic·evaluators·of·docking·results.·This·trivial·class·will·return·the·identity·scoring,·leaving·permutation·and·score·unchanged.·</p>
  
105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7b/a00296_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../db/d7b/a00296_source.html">randomEvaluation.h</a>.</p>105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d2b/a01997_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d0/d2b/a01997_source.html">randomEvaluation.h</a>.</p>
106 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>106 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
107 <a·id="aa87e1b6c55b0733eea6e5666ce68e49e"·name="aa87e1b6c55b0733eea6e5666ce68e49e"></a>107 <a·id="aa87e1b6c55b0733eea6e5666ce68e49e"·name="aa87e1b6c55b0733eea6e5666ce68e49e"></a>
108 <h2·class="memtitle"><span·class="permalink"><a·href="#aa87e1b6c55b0733eea6e5666ce68e49e">&#9670;&nbsp;</a></span>RandomEvaluation()</h2>108 <h2·class="memtitle"><span·class="permalink"><a·href="#aa87e1b6c55b0733eea6e5666ce68e49e">&#9670;&nbsp;</a></span>RandomEvaluation()</h2>
  
109 <div·class="memitem">109 <div·class="memitem">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d0/d2b/a03095.html">List·of·all·members</a>··</div>71 <a·href="../../d0/d2b/a03095.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Exception::IncompatibleIterators·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::IncompatibleIterators·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Exception::IncompatibleIterators:</div>77 Inheritance·diagram·for·BALL::Exception::IncompatibleIterators:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d8/db1/a03098.png"·usemap="#BALL::Exception::IncompatibleIterators_map"·alt=""/>80 ··<img·src="../../d8/db1/a03098.png"·usemap="#BALL::Exception::IncompatibleIterators_map"·alt=""/>
81 ··<map·id="BALL::Exception::IncompatibleIterators_map"·name="BALL::Exception::IncompatibleIterators_map">81 ··<map·id="BALL::Exception::IncompatibleIterators_map"·name="BALL::Exception::IncompatibleIterators_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,226,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,226,80"/>
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131 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>131 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>Incompatible·iterator.·The·iterators·could·not·be·assigned·because·they·are·bound·to·different·containers.·</p>136 <div·class="textblock"><p·>Incompatible·iterator.·The·iterators·could·not·be·assigned·because·they·are·bound·to·different·containers.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00279">279</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00279">279</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="acef6ab2cc9fa93041d9e63c6bbcc6183"·name="acef6ab2cc9fa93041d9e63c6bbcc6183"></a>139 <a·id="acef6ab2cc9fa93041d9e63c6bbcc6183"·name="acef6ab2cc9fa93041d9e63c6bbcc6183"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#acef6ab2cc9fa93041d9e63c6bbcc6183">&#9670;&nbsp;</a></span>IncompatibleIterators()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#acef6ab2cc9fa93041d9e63c6bbcc6183">&#9670;&nbsp;</a></span>IncompatibleIterators()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
142 <div·class="memproto">142 <div·class="memproto">
143 ······<table·class="memname">143 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d6/d11/a07683.html">List·of·all·members</a>··</div>71 <a·href="../../d6/d11/a07683.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PluginDirectoryModel·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PluginDirectoryModel·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dda/a01289_source.html">BALL/VIEW/DIALOGS/pluginDialog.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dc/d70/a01187_source.html">BALL/VIEW/DIALOGS/pluginDialog.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::PluginDirectoryModel:</div>77 Inheritance·diagram·for·BALL::VIEW::PluginDirectoryModel:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d8/db1/a07686.png"·usemap="#BALL::VIEW::PluginDirectoryModel_map"·alt=""/>80 ··<img·src="../../d8/db1/a07686.png"·usemap="#BALL::VIEW::PluginDirectoryModel_map"·alt=""/>
81 ··<map·id="BALL::VIEW::PluginDirectoryModel_map"·name="BALL::VIEW::PluginDirectoryModel_map">81 ··<map·id="BALL::VIEW::PluginDirectoryModel_map"·name="BALL::VIEW::PluginDirectoryModel_map">
82 <area·href="../../da/d29/a20254.html"·alt="QAbstractListModel"·shape="rect"·coords="0,0,209,24"/>82 <area·href="../../da/d29/a20254.html"·alt="QAbstractListModel"·shape="rect"·coords="0,0,209,24"/>
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96 <tr·class="separator:a6a2723a8906bff67c7c68385d7c0d8ac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:a6a2723a8906bff67c7c68385d7c0d8ac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 <tr·class="memitem:a293584478676a899754635efe3f3e89c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db1/a07686.html#a293584478676a899754635efe3f3e89c">removeDirectory</a>·(const·QModelIndex·&amp;index)</td></tr>97 <tr·class="memitem:a293584478676a899754635efe3f3e89c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db1/a07686.html#a293584478676a899754635efe3f3e89c">removeDirectory</a>·(const·QModelIndex·&amp;index)</td></tr>
98 <tr·class="separator:a293584478676a899754635efe3f3e89c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:a293584478676a899754635efe3f3e89c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>99 </table>
100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
101 <div·class="textblock"><p·>A·wrapper·around·the·plugin·manager·that·provides·a·model·on·the·current·plugin·directories·</p>101 <div·class="textblock"><p·>A·wrapper·around·the·plugin·manager·that·provides·a·model·on·the·current·plugin·directories·</p>
  
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dda/a01289_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../d9/dda/a01289_source.html">pluginDialog.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d70/a01187_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../dc/d70/a01187_source.html">pluginDialog.h</a>.</p>
103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
104 <a·id="a0328e3c1f8e59bdc2cd4cbd744e0b342"·name="a0328e3c1f8e59bdc2cd4cbd744e0b342"></a>104 <a·id="a0328e3c1f8e59bdc2cd4cbd744e0b342"·name="a0328e3c1f8e59bdc2cd4cbd744e0b342"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#a0328e3c1f8e59bdc2cd4cbd744e0b342">&#9670;&nbsp;</a></span>PluginDirectoryModel()</h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#a0328e3c1f8e59bdc2cd4cbd744e0b342">&#9670;&nbsp;</a></span>PluginDirectoryModel()</h2>
  
106 <div·class="memitem">106 <div·class="memitem">
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8 <title>BALL:·atomTypes.h·File·Reference</title>8 <title>BALL:·moleculeObjectCreator.h·File·Reference</title>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#define-members">Macros</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">atomTypes.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">moleculeObjectCreator.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d00/a00113_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d49/a00863_source.html">BALL/CONCEPT/objectCreator.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/> 
77 </div>75 </div>
78 <p><a·href="../../d8/db7/a00812_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d8/db7/a00812_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">77 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>79 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbc/a05342.html">BALL::AtomTypes</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d90/a03298.html">BALL::MoleculeObjectCreator</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
84 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
86 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls"> 
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
91 Macros</h2></td></tr> 
92 <tr·class="memitem:a71f22e0e7433e4f0fd31860692b41585"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db7/a00812.html#a71f22e0e7433e4f0fd31860692b41585">BALL_ATOM_WILDCARD_NAME</a>&#160;&#160;&#160;&quot;*&quot;</td></tr> 
93 <tr·class="separator:a71f22e0e7433e4f0fd31860692b41585"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
94 <tr·class="memitem:a49aa73e419d97308cbca3cc2d456f66e"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db7/a00812.html#a49aa73e419d97308cbca3cc2d456f66e">BALL_ATOM_UNKNOWN_NAME</a>&#160;&#160;&#160;&quot;?&quot;</td></tr> 
95 <tr·class="separator:a49aa73e419d97308cbca3cc2d456f66e"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
96 </table>87 </table>
97 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
98 <a·id="a49aa73e419d97308cbca3cc2d456f66e"·name="a49aa73e419d97308cbca3cc2d456f66e"></a> 
99 <h2·class="memtitle"><span·class="permalink"><a·href="#a49aa73e419d97308cbca3cc2d456f66e">&#9670;&nbsp;</a></span>BALL_ATOM_UNKNOWN_NAME</h2> 
  
100 <div·class="memitem"> 
101 <div·class="memproto"> 
102 ······<table·class="memname"> 
103 ········<tr> 
104 ··········<td·class="memname">#define·BALL_ATOM_UNKNOWN_NAME&#160;&#160;&#160;&quot;?&quot;</td> 
105 ········</tr> 
106 ······</table> 
107 </div><div·class="memdoc"> 
  
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/db7/a00812_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d8/db7/a00812_source.html">atomTypes.h</a>.</p> 
  
109 </div> 
110 </div> 
111 <a·id="a71f22e0e7433e4f0fd31860692b41585"·name="a71f22e0e7433e4f0fd31860692b41585"></a> 
112 <h2·class="memtitle"><span·class="permalink"><a·href="#a71f22e0e7433e4f0fd31860692b41585">&#9670;&nbsp;</a></span>BALL_ATOM_WILDCARD_NAME</h2> 
  
113 <div·class="memitem"> 
114 <div·class="memproto"> 
115 ······<table·class="memname"> 
116 ········<tr> 
117 ··········<td·class="memname">#define·BALL_ATOM_WILDCARD_NAME&#160;&#160;&#160;&quot;*&quot;</td> 
118 ········</tr> 
119 ······</table> 
120 </div><div·class="memdoc"> 
  
121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/db7/a00812_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d8/db7/a00812_source.html">atomTypes.h</a>.</p> 
  
122 </div> 
123 </div> 
124 </div><!--·contents·-->88 </div><!--·contents·-->
125 <!--·start·footer·part·-->89 <!--·start·footer·part·-->
126 <hr·class="footer"/><address·class="footer"><small>90 <hr·class="footer"/><address·class="footer"><small>
127 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.491 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d4/d6a/a07927.html">List·of·all·members</a>··</div>71 <a·href="../../d4/d6a/a07927.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject:</div>77 Inheritance·diagram·for·BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d8/db8/a07930.png"·usemap="#BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject_map"·alt=""/>80 ··<img·src="../../d8/db8/a07930.png"·usemap="#BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject_map"·alt=""/>
81 ··<map·id="BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject_map"·name="BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject_map">81 ··<map·id="BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject_map"·name="BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject_map">
82 <area·href="../../db/de7/a08366.html"·alt="BALL::VIEW::ColorTable"·shape="rect"·coords="0,56,351,80"/>82 <area·href="../../db/de7/a08366.html"·alt="BALL::VIEW::ColorTable"·shape="rect"·coords="0,56,351,80"/>
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98 <tr·class="memitem:a48687b5f319d20b47d936e0baf740b72"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db8/a07930.html#a48687b5f319d20b47d936e0baf740b72">setValue</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;)=0</td></tr>98 <tr·class="memitem:a48687b5f319d20b47d936e0baf740b72"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db8/a07930.html#a48687b5f319d20b47d936e0baf740b72">setValue</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;)=0</td></tr>
99 <tr·class="memdesc:a48687b5f319d20b47d936e0baf740b72"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Overload·this·in·derived·classes!··<a·href="../../d8/db8/a07930.html#a48687b5f319d20b47d936e0baf740b72">More...</a><br·/></td></tr>99 <tr·class="memdesc:a48687b5f319d20b47d936e0baf740b72"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Overload·this·in·derived·classes!··<a·href="../../d8/db8/a07930.html#a48687b5f319d20b47d936e0baf740b72">More...</a><br·/></td></tr>
100 <tr·class="separator:a48687b5f319d20b47d936e0baf740b72"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:a48687b5f319d20b47d936e0baf740b72"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 </table>101 </table>
102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
103 <div·class="textblock"><p·>Base·class·for·the·more·sophisticated·GUI·elements·in·a·dialog,·to·support·reading·and·(re)storing·their·state.·Make·sure·to·name·all·derived·objects,·by·calling·setObjectName()·Otherwise·(re-)storing·the·values·wont·work.·</p><dl·class="section·see"><dt>See·also</dt><dd>QColorTable·</dd></dl>103 <div·class="textblock"><p·>Base·class·for·the·more·sophisticated·GUI·elements·in·a·dialog,·to·support·reading·and·(re)storing·their·state.·Make·sure·to·name·all·derived·objects,·by·calling·setObjectName()·Otherwise·(re-)storing·the·values·wont·work.·</p><dl·class="section·see"><dt>See·also</dt><dd>QColorTable·</dd></dl>
  
104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d0d/a01091_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d6/d0d/a01091_source.html">preferencesEntry.h</a>.</p>104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d9a/a00998_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d9/d9a/a00998_source.html">preferencesEntry.h</a>.</p>
105 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>105 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
106 <a·id="a87801bfbcec6fd6ac31a2267c8b5d084"·name="a87801bfbcec6fd6ac31a2267c8b5d084"></a>106 <a·id="a87801bfbcec6fd6ac31a2267c8b5d084"·name="a87801bfbcec6fd6ac31a2267c8b5d084"></a>
107 <h2·class="memtitle"><span·class="permalink"><a·href="#a87801bfbcec6fd6ac31a2267c8b5d084">&#9670;&nbsp;</a></span>ExtendedPreferencesObject()</h2>107 <h2·class="memtitle"><span·class="permalink"><a·href="#a87801bfbcec6fd6ac31a2267c8b5d084">&#9670;&nbsp;</a></span>ExtendedPreferencesObject()</h2>
  
108 <div·class="memitem">108 <div·class="memitem">
109 <div·class="memproto">109 <div·class="memproto">
110 <table·class="mlabels">110 <table·class="mlabels">
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75 <code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;boost/graph/properties.hpp&gt;</code><br·/>
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 77 <code>#include·&lt;boost/graph/adjacency_list.hpp&gt;</code><br·/>
 78 <code>#include·&lt;boost/graph/copy.hpp&gt;</code><br·/>
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77 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>81 <code>#include·&lt;<a·class="el"·href="../../df/d3b/a00728_source.html">BALL/DATATYPE/GRAPH/graphAlgorithms.h</a>&gt;</code><br·/>
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79 <p><a·href="../../d8/db9/a00725_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d8/db9/a00725_source.html">Go·to·the·source·code·of·this·file.</a></p>
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d7/d00/a00401_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d5/de8/a00749_source.html">BALL/SYSTEM/fileSystem.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;cstdlib&gt;</code><br·/>
 78 <code>#include·&lt;sys/stat.h&gt;</code><br·/>
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 80 <code>#include·&lt;algorithm&gt;</code><br·/>
 81 <code>#include·&lt;iostream&gt;</code><br·/>
 82 <code>#include·&lt;fstream&gt;</code><br·/>
 83 <code>#include·&lt;sys/types.h&gt;</code><br·/>
 84 <code>#include·&lt;map&gt;</code><br·/>
 85 <code>#include·&lt;BALL/SYSTEM/file.iC&gt;</code><br·/>
77 </div>86 </div>
78 <p><a·href="../../d8/dba/a00773_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d8/dba/a00773_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">88 <table·class="memberdecls">
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71 <a·href="#define-members">Macros</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">amberStretch.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">MOPACOutputFile.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
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76 <code>#include·&lt;<a·class="el"·href="../../da/dd6/a00896_source.html">BALL/MOLMEC/COMMON/stretchComponent.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
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78 <p><a·href="../../d8/dbb/a00932_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d8/dbb/a00932_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">80 <table·class="memberdecls">
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102 ········<tr> 
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104 ········</tr> 
105 ······</table> 
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107 <p>flag·to·enable·Stretches·</p> 
  
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbb/a00932_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d8/dbb/a00932_source.html">amberStretch.h</a>.</p> 
  
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73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>
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76 <code>#include·&lt;<a·class="el"·href="../../d9/d7d/a01880_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d0/d36/a01916_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;BALL/VIEW/UIC/ui_preferences.h&gt;</code><br·/> 
79 </div>76 </div>
80 <p><a·href="../../d8/dbe/a01370_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d8/dbe/a01370_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls">78 <table·class="memberdecls">
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88 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
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63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">serverWidget.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">fileObserver.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d67/a01070_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d0/d36/a01916_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a01607_source.html">BALL/CONCEPT/objectCreator.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d1/d46/a01739_source.html">BALL/SYSTEM/networking.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../dd/d09/a01118_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;QtCore/QTimer&gt;</code><br·/>75 <code>#include·&lt;QtCore/QTimer&gt;</code><br·/>
81 <code>#include·&lt;QtWidgets/QLabel&gt;</code><br·/>76 <code>#include·&lt;QtCore/QDateTime&gt;</code><br·/>
82 <code>#include·&lt;BALL/VIEW/KERNEL/serverWidget.iC&gt;</code><br·/> 
83 </div>77 </div>
84 <p><a·href="../../d8/dbf/a01109_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d8/dbf/a01109_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">79 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>81 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dbd/a07942.html">BALL::VIEW::ServerWidget</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d6e/a08382.html">BALL::VIEW::FileObserver</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/db3/a07946.html">BALL::VIEW::ServerWidget::NotCompositeObject</a></td></tr> 
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dc8/a07950.html">BALL::VIEW::ServerWidget::BALLViewServer</a></td></tr> 
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table><table·class="memberdecls">84 </table><table·class="memberdecls">
95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
96 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
97 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../de/d11/a05095.html">List·of·all·members</a>··</div>71 <a·href="../../de/d11/a05095.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::RadiusRuleProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d4/d63/a02173.html">Rule-based·parameter·assignment</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::RadiusRuleProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d4/d63/a02173.html">Rule-based·parameter·assignment</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/ddc/a00917_source.html">BALL/MOLMEC/COMMON/radiusRuleProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/de1/a00065_source.html">BALL/MOLMEC/COMMON/radiusRuleProcessor.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::RadiusRuleProcessor:</div>77 Inheritance·diagram·for·BALL::RadiusRuleProcessor:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d8/dc2/a05098.png"·usemap="#BALL::RadiusRuleProcessor_map"·alt=""/>80 ··<img·src="../../d8/dc2/a05098.png"·usemap="#BALL::RadiusRuleProcessor_map"·alt=""/>
81 ··<map·id="BALL::RadiusRuleProcessor_map"·name="BALL::RadiusRuleProcessor_map">81 ··<map·id="BALL::RadiusRuleProcessor_map"·name="BALL::RadiusRuleProcessor_map">
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156 <tr·class="separator:a6b407f3e2cbcec8c2d319bb1a2ca86e0·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>156 <tr·class="separator:a6b407f3e2cbcec8c2d319bb1a2ca86e0·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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158 <tr·class="separator:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>158 <tr·class="separator:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
159 </table>159 </table>
160 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>160 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
161 <div·class="textblock"><p·>Radius·Rule·<a·class="el"·href="../../de/d93/a03330.html">Processor</a>.·</p>161 <div·class="textblock"><p·>Radius·Rule·<a·class="el"·href="../../de/d93/a03330.html">Processor</a>.·</p>
  
162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/ddc/a00917_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d4/ddc/a00917_source.html">radiusRuleProcessor.h</a>.</p>162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/de1/a00065_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../de/de1/a00065_source.html">radiusRuleProcessor.h</a>.</p>
163 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>163 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
164 <a·id="ad52201477acdb2101b5d8510db8ae0a7"·name="ad52201477acdb2101b5d8510db8ae0a7"></a>164 <a·id="ad52201477acdb2101b5d8510db8ae0a7"·name="ad52201477acdb2101b5d8510db8ae0a7"></a>
165 <h2·class="memtitle"><span·class="permalink"><a·href="#ad52201477acdb2101b5d8510db8ae0a7">&#9670;&nbsp;</a></span>RadiusRuleProcessor()·<span·class="overload">[1/3]</span></h2>165 <h2·class="memtitle"><span·class="permalink"><a·href="#ad52201477acdb2101b5d8510db8ae0a7">&#9670;&nbsp;</a></span>RadiusRuleProcessor()·<span·class="overload">[1/3]</span></h2>
  
166 <div·class="memitem">166 <div·class="memitem">
167 <div·class="memproto">167 <div·class="memproto">
168 ······<table·class="memname">168 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../d5/d8c/a08591.html">List·of·all·members</a>··</div>71 <a·href="../../d5/d8c/a08591.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::CrystalInfo::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::CrystalInfo::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../df/d12/a01703_source.html">BALL/XRAY/crystalInfo.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/d46/a00665_source.html">BALL/XRAY/crystalInfo.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a14a219d49871dda02b4cb6ab116c8867"><td·class="memItemLeft"·align="right"·valign="top">static·const·string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dc2/a08594.html#a14a219d49871dda02b4cb6ab116c8867">SPACE_GROUP_FILE</a></td></tr>79 <tr·class="memitem:a14a219d49871dda02b4cb6ab116c8867"><td·class="memItemLeft"·align="right"·valign="top">static·const·string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dc2/a08594.html#a14a219d49871dda02b4cb6ab116c8867">SPACE_GROUP_FILE</a></td></tr>
80 <tr·class="separator:a14a219d49871dda02b4cb6ab116c8867"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a14a219d49871dda02b4cb6ab116c8867"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 </table>81 </table>
82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock"><p·><a·class="el"·href="../../d8/dc2/a08594.html">Default</a>·Names·</p>83 <div·class="textblock"><p·><a·class="el"·href="../../d8/dc2/a08594.html">Default</a>·Names·</p>
  
84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d12/a01703_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../df/d12/a01703_source.html">crystalInfo.h</a>.</p>84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d46/a00665_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../da/d46/a00665_source.html">crystalInfo.h</a>.</p>
85 </div><h2·class="groupheader">Member·Data·Documentation</h2>85 </div><h2·class="groupheader">Member·Data·Documentation</h2>
86 <a·id="a14a219d49871dda02b4cb6ab116c8867"·name="a14a219d49871dda02b4cb6ab116c8867"></a>86 <a·id="a14a219d49871dda02b4cb6ab116c8867"·name="a14a219d49871dda02b4cb6ab116c8867"></a>
87 <h2·class="memtitle"><span·class="permalink"><a·href="#a14a219d49871dda02b4cb6ab116c8867">&#9670;&nbsp;</a></span>SPACE_GROUP_FILE</h2>87 <h2·class="memtitle"><span·class="permalink"><a·href="#a14a219d49871dda02b4cb6ab116c8867">&#9670;&nbsp;</a></span>SPACE_GROUP_FILE</h2>
  
88 <div·class="memitem">88 <div·class="memitem">
89 <div·class="memproto">89 <div·class="memproto">
90 <table·class="mlabels">90 <table·class="mlabels">
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102 ··<td·class="mlabels-right">102 ··<td·class="mlabels-right">
103 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>103 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
104 ··</tr>104 ··</tr>
105 </table>105 </table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
107 <p·>The·default·filename·for·the·space·group·mappings·file·</p>107 <p·>The·default·filename·for·the·space·group·mappings·file·</p>
  
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../db/de1/a08119.html">List·of·all·members</a>··</div>71 <a·href="../../db/de1/a08119.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SecondaryStructureColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SecondaryStructureColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/d35/a01184_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
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78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d8/dc8/a08122.png"·usemap="#BALL::VIEW::SecondaryStructureColorProcessor_map"·alt=""/>80 ··<img·src="../../d8/dc8/a08122.png"·usemap="#BALL::VIEW::SecondaryStructureColorProcessor_map"·alt=""/>
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227 <tr·class="separator:a3173044548dc6712c9c0b44ea584780b·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>227 <tr·class="separator:a3173044548dc6712c9c0b44ea584780b·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
228 <tr·class="memitem:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d56/a08042.html#a18059f4f928525494f82e367a40cab58">min_spacing_</a></td></tr>228 <tr·class="memitem:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d56/a08042.html#a18059f4f928525494f82e367a40cab58">min_spacing_</a></td></tr>
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230 </table>230 </table>
231 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>231 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
232 <div·class="textblock"><p·>Coloring·by·the·secondary·structure,·a·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·is·in·</p>232 <div·class="textblock"><p·>Coloring·by·the·secondary·structure,·a·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·is·in·</p>
  
233 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00489">489</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>233 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00489">489</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
234 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>234 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
235 <a·id="a923a158d373228cd8ff5ebe5941d04bd"·name="a923a158d373228cd8ff5ebe5941d04bd"></a>235 <a·id="a923a158d373228cd8ff5ebe5941d04bd"·name="a923a158d373228cd8ff5ebe5941d04bd"></a>
236 <h2·class="memtitle"><span·class="permalink"><a·href="#a923a158d373228cd8ff5ebe5941d04bd">&#9670;&nbsp;</a></span>SecondaryStructureColorProcessor()</h2>236 <h2·class="memtitle"><span·class="permalink"><a·href="#a923a158d373228cd8ff5ebe5941d04bd">&#9670;&nbsp;</a></span>SecondaryStructureColorProcessor()</h2>
  
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71 <a·href="../../da/d19/a04667.html">List·of·all·members</a>··</div>71 <a·href="../../da/d19/a04667.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ResidueIDPredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ResidueIDPredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
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78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d8/dca/a04670.png"·usemap="#BALL::ResidueIDPredicate_map"·alt=""/>80 ··<img·src="../../d8/dca/a04670.png"·usemap="#BALL::ResidueIDPredicate_map"·alt=""/>
81 ··<map·id="BALL::ResidueIDPredicate_map"·name="BALL::ResidueIDPredicate_map">81 ··<map·id="BALL::ResidueIDPredicate_map"·name="BALL::ResidueIDPredicate_map">
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117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Predicate·for·matching·residues·IDs.·Returns·<code>true</code>,·if·the·ID·of·the·residue·that·the·atom·belongs·to·matches·exactly·the·argument·of·this·predicate.·</p>122 <div·class="textblock"><p·>Predicate·for·matching·residues·IDs.·Returns·<code>true</code>,·if·the·ID·of·the·residue·that·the·atom·belongs·to·matches·exactly·the·argument·of·this·predicate.·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
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126 <h2·class="memtitle"><span·class="permalink"><a·href="#a5b00082ed4a742654f8f577a803a0159">&#9670;&nbsp;</a></span>operator()()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a5b00082ed4a742654f8f577a803a0159">&#9670;&nbsp;</a></span>operator()()</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li>··</ul>
65 </div>65 </div>
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
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 72 <a·href="#func-members">Functions</a>··</div>
71 ··<div·class="headertitle"><div·class="title">setCamera.h·File·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">renderTarget.h·File·Reference</div></div>
72 </div><!--header-->74 </div><!--header-->
73 <div·class="contents">75 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>76 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
75 <code>#include·&lt;BALL/VIEW/UIC/ui_setCamera.h&gt;</code><br·/>78 <code>#include·&lt;assert.h&gt;</code><br·/>
76 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>79 <code>#include·&lt;vector&gt;</code><br·/>
 80 <code>#include·&lt;boost/smart_ptr.hpp&gt;</code><br·/>
 81 <code>#include·&lt;boost/shared_array.hpp&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d7/d1d/a01475_source.html">BALL/VIEW/RENDERING/pixelFormat.h</a>&gt;</code><br·/>
77 </div>83 </div>
78 <p><a·href="../../d8/dd0/a01430_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d8/dd0/a01430_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">85 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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 89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/df9/a08342.html">BALL::VIEW::FrameBufferFormat</a></td></tr>
 91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a07722.html">BALL::VIEW::SetCamera</a></td></tr>94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d43/a08350.html">BALL::VIEW::RenderTarget</a></td></tr>
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86 Namespaces</h2></td></tr>98 Namespaces</h2></td></tr>
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 113 <tr·class="memitem:a18ddb3b4d0a45972d43043ff325d2793"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html#a18ddb3b4d0a45972d43043ff325d2793">BALL::VIEW::operator&lt;&lt;</a>·(std::ostream·&amp;o,·const·FrameBufferFormat·&amp;f)</td></tr>
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71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MolecularTaskMessage·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MolecularTaskMessage·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d0/d39/a01112_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::VIEW::MolecularTaskMessage:</div>79 Inheritance·diagram·for·BALL::VIEW::MolecularTaskMessage:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d8/dd3/a07854.png"·usemap="#BALL::VIEW::MolecularTaskMessage_map"·alt=""/>82 ··<img·src="../../d8/dd3/a07854.png"·usemap="#BALL::VIEW::MolecularTaskMessage_map"·alt=""/>
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130 Protected·Attributes</h2></td></tr>130 Protected·Attributes</h2></td></tr>
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133 </table>133 </table>
134 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>134 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
135 <div·class="textblock"><p·><a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·to·perform·specific·tasks·for·molecular·items.</p><dl·class="section·user"><dt></dt><dd>Send·by·<a·class="el"·href="../../d5/db3/a08442.html">MolecularControl</a>·to·MolecularProperties.·</dd></dl>135 <div·class="textblock"><p·><a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·to·perform·specific·tasks·for·molecular·items.</p><dl·class="section·user"><dt></dt><dd>Send·by·<a·class="el"·href="../../d5/db3/a08442.html">MolecularControl</a>·to·MolecularProperties.·</dd></dl>
  
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00638">638</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00638">638</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
137 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>137 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
138 <a·id="a0e5713446dad84dac3ea65664de67727"·name="a0e5713446dad84dac3ea65664de67727"></a>138 <a·id="a0e5713446dad84dac3ea65664de67727"·name="a0e5713446dad84dac3ea65664de67727"></a>
139 <h2·class="memtitle"><span·class="permalink"><a·href="#a0e5713446dad84dac3ea65664de67727">&#9670;&nbsp;</a></span>MolecularTaskMessageType</h2>139 <h2·class="memtitle"><span·class="permalink"><a·href="#a0e5713446dad84dac3ea65664de67727">&#9670;&nbsp;</a></span>MolecularTaskMessageType</h2>
  
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154 <tr><td·class="fieldname"><a·id="a0e5713446dad84dac3ea65664de67727a79012936ed4076e92fcb4d7dead146be"·name="a0e5713446dad84dac3ea65664de67727a79012936ed4076e92fcb4d7dead146be"></a>BUILD_BONDS&#160;</td><td·class="fielddoc"></td></tr>154 <tr><td·class="fieldname"><a·id="a0e5713446dad84dac3ea65664de67727a79012936ed4076e92fcb4d7dead146be"·name="a0e5713446dad84dac3ea65664de67727a79012936ed4076e92fcb4d7dead146be"></a>BUILD_BONDS&#160;</td><td·class="fielddoc"></td></tr>
155 <tr><td·class="fieldname"><a·id="a0e5713446dad84dac3ea65664de67727a550b566ec3559cd9240f0e0018b9d92a"·name="a0e5713446dad84dac3ea65664de67727a550b566ec3559cd9240f0e0018b9d92a"></a>CHECK_RESIDUE&#160;</td><td·class="fielddoc"></td></tr>155 <tr><td·class="fieldname"><a·id="a0e5713446dad84dac3ea65664de67727a550b566ec3559cd9240f0e0018b9d92a"·name="a0e5713446dad84dac3ea65664de67727a550b566ec3559cd9240f0e0018b9d92a"></a>CHECK_RESIDUE&#160;</td><td·class="fielddoc"></td></tr>
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157 <tr><td·class="fieldname"><a·id="a0e5713446dad84dac3ea65664de67727aaaf9b9d9ecb5c90fe63ccbedcce02630"·name="a0e5713446dad84dac3ea65664de67727aaaf9b9d9ecb5c90fe63ccbedcce02630"></a>CREATE_DISTANCE_GRID&#160;</td><td·class="fielddoc"></td></tr>157 <tr><td·class="fieldname"><a·id="a0e5713446dad84dac3ea65664de67727aaaf9b9d9ecb5c90fe63ccbedcce02630"·name="a0e5713446dad84dac3ea65664de67727aaaf9b9d9ecb5c90fe63ccbedcce02630"></a>CREATE_DISTANCE_GRID&#160;</td><td·class="fielddoc"></td></tr>
158 </table>158 </table>
  
159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00644">644</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00644">644</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
160 </div>160 </div>
161 </div>161 </div>
162 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>162 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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164 <h2·class="memtitle"><span·class="permalink"><a·href="#a98cd0ad87f437b566d476f31b558d19e">&#9670;&nbsp;</a></span>MolecularTaskMessage()</h2>164 <h2·class="memtitle"><span·class="permalink"><a·href="#a98cd0ad87f437b566d476f31b558d19e">&#9670;&nbsp;</a></span>MolecularTaskMessage()</h2>
  
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200 ··</td>200 ··</td>
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211 <div·class="memitem">211 <div·class="memitem">
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243 ··</td>243 ··</td>
244 ··<td·class="mlabels-right">244 ··<td·class="mlabels-right">
245 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>245 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
246 ··</tr>246 ··</tr>
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249 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00670">670</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>249 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00670">670</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
250 </div>250 </div>
251 </div>251 </div>
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253 <!--·start·footer·part·-->253 <!--·start·footer·part·-->
254 <hr·class="footer"/><address·class="footer"><small>254 <hr·class="footer"/><address·class="footer"><small>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d9/d85/a07467.html">List·of·all·members</a>··</div>71 <a·href="../../d9/d85/a07467.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorUnit::NotInHexFormat·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorUnit::NotInHexFormat·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d0/deb/a01508_source.html">BALL/VIEW/DATATYPE/colorUnit.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d3/da4/a01343_source.html">BALL/VIEW/DATATYPE/colorUnit.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::ColorUnit::NotInHexFormat:</div>77 Inheritance·diagram·for·BALL::VIEW::ColorUnit::NotInHexFormat:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d8/dd6/a07470.png"·usemap="#BALL::VIEW::ColorUnit::NotInHexFormat_map"·alt=""/>80 ··<img·src="../../d8/dd6/a07470.png"·usemap="#BALL::VIEW::ColorUnit::NotInHexFormat_map"·alt=""/>
81 ··<map·id="BALL::VIEW::ColorUnit::NotInHexFormat_map"·name="BALL::VIEW::ColorUnit::NotInHexFormat_map">81 ··<map·id="BALL::VIEW::ColorUnit::NotInHexFormat_map"·name="BALL::VIEW::ColorUnit::NotInHexFormat_map">
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134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·><a·class="el"·href="../../d8/dd6/a07470.html">NotInHexFormat</a>·<a·class="el"·href="../../de/d59/a02219.html">Exception</a>·class.·This·exeption·will·be·thrown·if·a·given·string·for·the·colorUnit·class·is·not·in·the·format·"00"·-·"FF"·or·"00"·-·"ff".</p>136 <div·class="textblock"><p·><a·class="el"·href="../../d8/dd6/a07470.html">NotInHexFormat</a>·<a·class="el"·href="../../de/d59/a02219.html">Exception</a>·class.·This·exeption·will·be·thrown·if·a·given·string·for·the·colorUnit·class·is·not·in·the·format·"00"·-·"FF"·or·"00"·-·"ff".</p>
137 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a>·<br··/>137 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a>·<br··/>
138 ·</dd></dl>138 ·</dd></dl>
  
139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/deb/a01508_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d0/deb/a01508_source.html">colorUnit.h</a>.</p>139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da4/a01343_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d3/da4/a01343_source.html">colorUnit.h</a>.</p>
140 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>140 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
141 <a·id="aa47746509f3819ba4d59c011b70c4ca7"·name="aa47746509f3819ba4d59c011b70c4ca7"></a>141 <a·id="aa47746509f3819ba4d59c011b70c4ca7"·name="aa47746509f3819ba4d59c011b70c4ca7"></a>
142 <h2·class="memtitle"><span·class="permalink"><a·href="#aa47746509f3819ba4d59c011b70c4ca7">&#9670;&nbsp;</a></span>NotInHexFormat()</h2>142 <h2·class="memtitle"><span·class="permalink"><a·href="#aa47746509f3819ba4d59c011b70c4ca7">&#9670;&nbsp;</a></span>NotInHexFormat()</h2>
  
143 <div·class="memitem">143 <div·class="memitem">
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d2/dcb/a07439.html">List·of·all·members</a>··</div>70 <a·href="../../d2/dcb/a07439.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::Timer·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d7/db7/a02198.html">Operating·system·support</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::Timer·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d7/db7/a02198.html">Operating·system·support</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../df/d9a/a01715_source.html">BALL/SYSTEM/timer.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d4/dfa/a00746_source.html">BALL/SYSTEM/timer.h</a>&gt;</code></p>
75 <table·class="memberdecls">75 <table·class="memberdecls">
76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
77 Public·Member·Functions</h2></td></tr>77 Public·Member·Functions</h2></td></tr>
78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>
79 <tr·class="memitem:a3f5affeb7fb5d297434c3182b37413c8"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/ddb/a07442.html#a3f5affeb7fb5d297434c3182b37413c8">Timer</a>·()</td></tr>79 <tr·class="memitem:a3f5affeb7fb5d297434c3182b37413c8"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/ddb/a07442.html#a3f5affeb7fb5d297434c3182b37413c8">Timer</a>·()</td></tr>
80 <tr·class="separator:a3f5affeb7fb5d297434c3182b37413c8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a3f5affeb7fb5d297434c3182b37413c8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:ae458510cd8e25eb5c284b83598263075"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/ddb/a07442.html#ae458510cd8e25eb5c284b83598263075">Timer</a>·(<a·class="el"·href="../../d8/ddb/a07442.html">Timer</a>·&amp;timer)</td></tr>81 <tr·class="memitem:ae458510cd8e25eb5c284b83598263075"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/ddb/a07442.html#ae458510cd8e25eb5c284b83598263075">Timer</a>·(<a·class="el"·href="../../d8/ddb/a07442.html">Timer</a>·&amp;timer)</td></tr>
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124 <tr·class="separator:af8309d9428d0dcb8301837cac2e12f13"><td·class="memSeparator"·colspan="2">&#160;</td></tr>124 <tr·class="separator:af8309d9428d0dcb8301837cac2e12f13"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
125 <tr·class="memitem:a5cbe82541ac3a671a026db11a66f9e55"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/ddb/a07442.html#a5cbe82541ac3a671a026db11a66f9e55">dump</a>·(::std::ostream·&amp;s=::std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0L)·const</td></tr>125 <tr·class="memitem:a5cbe82541ac3a671a026db11a66f9e55"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/ddb/a07442.html#a5cbe82541ac3a671a026db11a66f9e55">dump</a>·(::std::ostream·&amp;s=::std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0L)·const</td></tr>
126 <tr·class="separator:a5cbe82541ac3a671a026db11a66f9e55"><td·class="memSeparator"·colspan="2">&#160;</td></tr>126 <tr·class="separator:a5cbe82541ac3a671a026db11a66f9e55"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
127 </table>127 </table>
128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
129 <div·class="textblock"><p·><a·class="el"·href="../../d8/ddb/a07442.html">Timer</a>·Class·</p>129 <div·class="textblock"><p·><a·class="el"·href="../../d8/ddb/a07442.html">Timer</a>·Class·</p>
  
130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d9a/a01715_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../df/d9a/a01715_source.html">timer.h</a>.</p>130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dfa/a00746_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d4/dfa/a00746_source.html">timer.h</a>.</p>
131 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>131 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
132 <a·id="a3f5affeb7fb5d297434c3182b37413c8"·name="a3f5affeb7fb5d297434c3182b37413c8"></a>132 <a·id="a3f5affeb7fb5d297434c3182b37413c8"·name="a3f5affeb7fb5d297434c3182b37413c8"></a>
133 <h2·class="memtitle"><span·class="permalink"><a·href="#a3f5affeb7fb5d297434c3182b37413c8">&#9670;&nbsp;</a></span>Timer()·<span·class="overload">[1/2]</span></h2>133 <h2·class="memtitle"><span·class="permalink"><a·href="#a3f5affeb7fb5d297434c3182b37413c8">&#9670;&nbsp;</a></span>Timer()·<span·class="overload">[1/2]</span></h2>
  
134 <div·class="memitem">134 <div·class="memitem">
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7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·fragment.h·File·Reference</title>8 <title>BALL:·qsar.doc·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
59 ········name="MSearchResults"·id="MSearchResults">59 ········name="MSearchResults"·id="MSearchResults">
60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath"> 
63 ··<ul> 
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul> 
65 </div> 
66 </div><!--·top·-->62 </div><!--·top·-->
67 <div·class="header">63 <div·class="header">
68 ··<div·class="summary"> 
69 <a·href="#nested-classes">Classes</a>·&#124; 
70 <a·href="#namespaces">Namespaces</a>··</div> 
71 ··<div·class="headertitle"><div·class="title">fragment.h·File·Reference</div></div>64 ··<div·class="headertitle"><div·class="title">qsar.doc·File·Reference</div></div>
72 </div><!--header-->65 </div><!--header-->
73 <div·class="contents">66 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d00/a00401_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/> 
75 </div> 
76 <p><a·href="../../d8/ddd/a00380_source.html">Go·to·the·source·code·of·this·file.</a></p> 
77 <table·class="memberdecls"> 
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
79 Classes</h2></td></tr> 
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da2/a04526.html">BALL::Fragment</a></td></tr> 
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
82 </table><table·class="memberdecls"> 
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
84 Namespaces</h2></td></tr> 
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
87 </table> 
88 </div><!--·contents·-->67 </div><!--·contents·-->
89 <!--·start·footer·part·-->68 <!--·start·footer·part·-->
90 <hr·class="footer"/><address·class="footer"><small>69 <hr·class="footer"/><address·class="footer"><small>
91 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.470 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
92 </small></address>71 </small></address>
93 </body>72 </body>
94 </html>73 </html>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;71 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;
72 <a·href="../../d7/d45/a03175.html">List·of·all·members</a>··</div>72 <a·href="../../d7/d45/a03175.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::GlobalInitializer·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::GlobalInitializer·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../db/d08/a01028_source.html">BALL/COMMON/init.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d4/dc4/a00617_source.html">BALL/COMMON/init.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a0aaabf3a9c3bd3472446e14f13b009e5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dde/a03178.html#a0aaabf3a9c3bd3472446e14f13b009e5">~GlobalInitializer</a>·()</td></tr>80 <tr·class="memitem:a0aaabf3a9c3bd3472446e14f13b009e5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dde/a03178.html#a0aaabf3a9c3bd3472446e14f13b009e5">~GlobalInitializer</a>·()</td></tr>
81 <tr·class="separator:a0aaabf3a9c3bd3472446e14f13b009e5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a0aaabf3a9c3bd3472446e14f13b009e5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>
84 Static·Public·Member·Functions</h2></td></tr>84 Static·Public·Member·Functions</h2></td></tr>
85 <tr·class="memitem:af6f874ac10ba0e3883195513d4995f64"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d8/dde/a03178.html">GlobalInitializer</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dde/a03178.html#af6f874ac10ba0e3883195513d4995f64">init</a>·()</td></tr>85 <tr·class="memitem:af6f874ac10ba0e3883195513d4995f64"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d8/dde/a03178.html">GlobalInitializer</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dde/a03178.html#af6f874ac10ba0e3883195513d4995f64">init</a>·()</td></tr>
86 <tr·class="separator:af6f874ac10ba0e3883195513d4995f64"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:af6f874ac10ba0e3883195513d4995f64"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table>87 </table>
88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
89 <div·class="textblock"><p·>General·initialization·class·for·the·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·library.·The·sole·purpose·of·this·class·is·to·provide·a·safe·place·for·intializations·that·should·occur·before·the·first·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·functions·are·called.·Please·note·that·this·is·realized·by·a·static·singleton,·so·there·is·<b>no</b>·guarantee·of·a·particular·order·of·the·creation·of·this·class·with·respect·to·all·other·static·variables.·</p>89 <div·class="textblock"><p·>General·initialization·class·for·the·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·library.·The·sole·purpose·of·this·class·is·to·provide·a·safe·place·for·intializations·that·should·occur·before·the·first·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·functions·are·called.·Please·note·that·this·is·realized·by·a·static·singleton,·so·there·is·<b>no</b>·guarantee·of·a·particular·order·of·the·creation·of·this·class·with·respect·to·all·other·static·variables.·</p>
  
90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d08/a01028_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../db/d08/a01028_source.html">init.h</a>.</p>90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dc4/a00617_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d4/dc4/a00617_source.html">init.h</a>.</p>
91 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>91 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
92 <a·id="a0aaabf3a9c3bd3472446e14f13b009e5"·name="a0aaabf3a9c3bd3472446e14f13b009e5"></a>92 <a·id="a0aaabf3a9c3bd3472446e14f13b009e5"·name="a0aaabf3a9c3bd3472446e14f13b009e5"></a>
93 <h2·class="memtitle"><span·class="permalink"><a·href="#a0aaabf3a9c3bd3472446e14f13b009e5">&#9670;&nbsp;</a></span>~GlobalInitializer()</h2>93 <h2·class="memtitle"><span·class="permalink"><a·href="#a0aaabf3a9c3bd3472446e14f13b009e5">&#9670;&nbsp;</a></span>~GlobalInitializer()</h2>
  
94 <div·class="memitem">94 <div·class="memitem">
95 <div·class="memproto">95 <div·class="memproto">
96 ······<table·class="memname">96 ······<table·class="memname">
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8 <title>BALL:·inputDevPluginHandler.h·File·Reference</title>8 <title>BALL:·peptideDialog.h·File·Reference</title>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_fdd4deb6e7660eceda5e61c32b248f16.html">PLUGIN</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">inputDevPluginHandler.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">peptideDialog.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d3e/a01676_source.html">BALL/PLUGIN/pluginHandler.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d6/dbd/a01829_source.html">BALL/STRUCTURE/peptideBuilder.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;BALL/VIEW/UIC/ui_peptideDialog.h&gt;</code><br·/>
75 </div>77 </div>
76 <p><a·href="../../d8/ddf/a01238_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d8/ddf/a01238_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">79 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>81 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da8/a08138.html">BALL::VIEW::InputDevPluginHandler</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/def/a07678.html">BALL::VIEW::PeptideDialog</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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84 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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73 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;73 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
74 <a·href="#pro-static-attribs">Static·Protected·Attributes</a>·&#124;74 <a·href="#pro-static-attribs">Static·Protected·Attributes</a>·&#124;
75 <a·href="../../da/d68/a07951.html">List·of·all·members</a>··</div>75 <a·href="../../da/d68/a07951.html">List·of·all·members</a>··</div>
76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShortcutRegistry·Class·Reference</div></div>76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShortcutRegistry·Class·Reference</div></div>
77 </div><!--header-->77 </div><!--header-->
78 <div·class="contents">78 <div·class="contents">
  
79 <p><code>#include·&lt;<a·class="el"·href="../../d9/d7c/a01073_source.html">BALL/VIEW/KERNEL/shortcutRegistry.h</a>&gt;</code></p>79 <p><code>#include·&lt;<a·class="el"·href="../../d2/d49/a01067_source.html">BALL/VIEW/KERNEL/shortcutRegistry.h</a>&gt;</code></p>
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203 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>203 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>
204 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>204 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
205 </table>205 </table>
206 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>206 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
207 <div·class="textblock"><p·><a·class="el"·href="../../d8/de1/a07954.html">ShortcutRegistry</a>.·It·takes·care·of·handling·all·shortcuts.·It·is·responsible·for·registering,·changing·single·shortcuts·or·loading·entire·shortcut-configuration·files.·</p>207 <div·class="textblock"><p·><a·class="el"·href="../../d8/de1/a07954.html">ShortcutRegistry</a>.·It·takes·care·of·handling·all·shortcuts.·It·is·responsible·for·registering,·changing·single·shortcuts·or·loading·entire·shortcut-configuration·files.·</p>
  
208 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7c/a01073_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d9/d7c/a01073_source.html">shortcutRegistry.h</a>.</p>208 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d49/a01067_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d2/d49/a01067_source.html">shortcutRegistry.h</a>.</p>
209 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>209 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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211 <h2·class="memtitle"><span·class="permalink"><a·href="#a907f6ae16b7044f2a0e617c9fbd8dd8b">&#9670;&nbsp;</a></span>ShortcutRegistry()</h2>211 <h2·class="memtitle"><span·class="permalink"><a·href="#a907f6ae16b7044f2a0e617c9fbd8dd8b">&#9670;&nbsp;</a></span>ShortcutRegistry()</h2>
  
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650 ··</tr>650 ··</tr>
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653 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7c/a01073_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../d9/d7c/a01073_source.html">shortcutRegistry.h</a>.</p>653 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d49/a01067_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../d2/d49/a01067_source.html">shortcutRegistry.h</a>.</p>
  
654 </div>654 </div>
655 </div>655 </div>
656 <a·id="a775bb275811a41001665427d806b215d"·name="a775bb275811a41001665427d806b215d"></a>656 <a·id="a775bb275811a41001665427d806b215d"·name="a775bb275811a41001665427d806b215d"></a>
657 <h2·class="memtitle"><span·class="permalink"><a·href="#a775bb275811a41001665427d806b215d">&#9670;&nbsp;</a></span>IN_SC_SEPERATOR</h2>657 <h2·class="memtitle"><span·class="permalink"><a·href="#a775bb275811a41001665427d806b215d">&#9670;&nbsp;</a></span>IN_SC_SEPERATOR</h2>
  
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671 ··</td>671 ··</td>
672 ··<td·class="mlabels-right">672 ··<td·class="mlabels-right">
673 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>673 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>
674 ··</tr>674 ··</tr>
675 </table>675 </table>
676 </div><div·class="memdoc">676 </div><div·class="memdoc">
  
677 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7c/a01073_source.html#l00090">90</a>·of·file·<a·class="el"·href="../../d9/d7c/a01073_source.html">shortcutRegistry.h</a>.</p>677 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d49/a01067_source.html#l00090">90</a>·of·file·<a·class="el"·href="../../d2/d49/a01067_source.html">shortcutRegistry.h</a>.</p>
  
678 </div>678 </div>
679 </div>679 </div>
680 <a·id="ad0901245bc44bcbf407b54037c78dd18"·name="ad0901245bc44bcbf407b54037c78dd18"></a>680 <a·id="ad0901245bc44bcbf407b54037c78dd18"·name="ad0901245bc44bcbf407b54037c78dd18"></a>
681 <h2·class="memtitle"><span·class="permalink"><a·href="#ad0901245bc44bcbf407b54037c78dd18">&#9670;&nbsp;</a></span>shortcut_keys_</h2>681 <h2·class="memtitle"><span·class="permalink"><a·href="#ad0901245bc44bcbf407b54037c78dd18">&#9670;&nbsp;</a></span>shortcut_keys_</h2>
  
682 <div·class="memitem">682 <div·class="memitem">
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695 ··</td>695 ··</td>
696 ··<td·class="mlabels-right">696 ··<td·class="mlabels-right">
697 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>697 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
698 ··</tr>698 ··</tr>
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701 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7c/a01073_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../d9/d7c/a01073_source.html">shortcutRegistry.h</a>.</p>701 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d49/a01067_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../d2/d49/a01067_source.html">shortcutRegistry.h</a>.</p>
  
702 </div>702 </div>
703 </div>703 </div>
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719 ··</td>719 ··</td>
720 ··<td·class="mlabels-right">720 ··<td·class="mlabels-right">
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725 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7c/a01073_source.html#l00094">94</a>·of·file·<a·class="el"·href="../../d9/d7c/a01073_source.html">shortcutRegistry.h</a>.</p>725 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d49/a01067_source.html#l00094">94</a>·of·file·<a·class="el"·href="../../d2/d49/a01067_source.html">shortcutRegistry.h</a>.</p>
  
726 </div>726 </div>
727 </div>727 </div>
728 <a·id="a6ba53af57c7a619aaef036ddf874e453"·name="a6ba53af57c7a619aaef036ddf874e453"></a>728 <a·id="a6ba53af57c7a619aaef036ddf874e453"·name="a6ba53af57c7a619aaef036ddf874e453"></a>
729 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ba53af57c7a619aaef036ddf874e453">&#9670;&nbsp;</a></span>unknown_shortcuts_</h2>729 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ba53af57c7a619aaef036ddf874e453">&#9670;&nbsp;</a></span>unknown_shortcuts_</h2>
  
730 <div·class="memitem">730 <div·class="memitem">
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743 ··</td>743 ··</td>
744 ··<td·class="mlabels-right">744 ··<td·class="mlabels-right">
745 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>745 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">modelFactory.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">PBScoring.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
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75 <code>#include·&lt;<a·class="el"·href="../../d6/d94/a02033_source.html">BALL/QSAR/Model.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d2/d31/a02087_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/> 
77 </div>75 </div>
78 <p><a·href="../../d8/de7/a02030_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d8/de7/a02030_source.html">Go·to·the·source·code·of·this·file.</a></p>
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73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::IntEditorWidget·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::IntEditorWidget·Class·Reference</div></div>
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75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d7/def/a01538_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::IntEditorWidget:</div>78 Inheritance·diagram·for·BALL::VIEW::IntEditorWidget:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d8/dea/a08462.png"·usemap="#BALL::VIEW::IntEditorWidget_map"·alt=""/>81 ··<img·src="../../d8/dea/a08462.png"·usemap="#BALL::VIEW::IntEditorWidget_map"·alt=""/>
82 ··<map·id="BALL::VIEW::IntEditorWidget_map"·name="BALL::VIEW::IntEditorWidget_map">82 ··<map·id="BALL::VIEW::IntEditorWidget_map"·name="BALL::VIEW::IntEditorWidget_map">
83 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,184,80"/>83 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,184,80"/>
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137 <tr·class="memitem:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a46403e234f863163cb9af4c8641d036b">name_</a></td></tr>137 <tr·class="memitem:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a46403e234f863163cb9af4c8641d036b">name_</a></td></tr>
138 <tr·class="separator:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>139 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>
140 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock">143 <div·class="textblock">
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00139">139</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">propertyEditor.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00139">139</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="a0cd22acb11ea6c1e5c35e9c5f8211a11"·name="a0cd22acb11ea6c1e5c35e9c5f8211a11"></a>146 <a·id="a0cd22acb11ea6c1e5c35e9c5f8211a11"·name="a0cd22acb11ea6c1e5c35e9c5f8211a11"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a0cd22acb11ea6c1e5c35e9c5f8211a11">&#9670;&nbsp;</a></span>IntEditorWidget()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a0cd22acb11ea6c1e5c35e9c5f8211a11">&#9670;&nbsp;</a></span>IntEditorWidget()</h2>
  
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#func-members">Functions</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">dockResult.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">molecularInteractions.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d9/d44/a00527_source.html">BALL/DOCKING/COMMON/conformationSet.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;map&gt;</code><br·/>
77 </div>77 </div>
78 <p><a·href="../../d8/deb/a00545_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d8/deb/a00545_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">79 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>81 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d3c/a03650.html">BALL::DockResult</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d23/a04538.html">BALL::MolecularInteractions</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d7b/a03654.html">BALL::DockResult::Scoring_</a></td></tr> 
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d68/a03658.html">BALL::DockResult::Compare_</a></td></tr> 
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table><table·class="memberdecls">84 </table><table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
90 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table><table·class="memberdecls"> 
94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
95 Functions</h2></td></tr> 
96 <tr·class="memitem:ac12eecb6d809645acdac2851ef637736"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ac12eecb6d809645acdac2851ef637736">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;out,·const·DockResult·&amp;dock_res)··throw·()</td></tr> 
97 <tr·class="separator:ac12eecb6d809645acdac2851ef637736"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 <tr·class="memitem:a507f70edb35041dea4ac786e1c524893"><td·class="memItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a507f70edb35041dea4ac786e1c524893">BALL::operator&gt;&gt;</a>·(std::istream·&amp;in,·DockResult·&amp;dock_res)··throw·()</td></tr> 
99 <tr·class="separator:a507f70edb35041dea4ac786e1c524893"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
100 </table>89 </table>
101 </div><!--·contents·-->90 </div><!--·contents·-->
102 <!--·start·footer·part·-->91 <!--·start·footer·part·-->
103 <hr·class="footer"/><address·class="footer"><small>92 <hr·class="footer"/><address·class="footer"><small>
104 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.493 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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8 <title>BALL:·surfaceProcessor.h·File·Reference</title>8 <title>BALL:·expressionPredicate.h·File·Reference</title>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">surfaceProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">expressionPredicate.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d0a/a00602_source.html">BALL/STRUCTURE/reducedSurface.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../dc/d25/a00596_source.html">BALL/STRUCTURE/solventExcludedSurface.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d8/dc8/a00581_source.html">BALL/STRUCTURE/triangulatedSES.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../dc/d91/a00659_source.html">BALL/STRUCTURE/solventAccessibleSurface.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../db/d77/a00683_source.html">BALL/STRUCTURE/triangulatedSAS.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;<a·class="el"·href="../../d7/db1/a00590_source.html">BALL/STRUCTURE/triangulatedSurface.h</a>&gt;</code><br·/> 
81 <code>#include·&lt;<a·class="el"·href="../../d7/d62/a01805_source.html">BALL/MATHS/surface.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d3/d93/a00341_source.html">BALL/KERNEL/PTE.h</a>&gt;</code><br·/> 
85 </div>75 </div>
86 <p><a·href="../../d8/df0/a00557_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d8/df0/a00557_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">77 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>79 Classes</h2></td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d8a/a07290.html">BALL::SurfaceProcessor</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
94 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d8/d67/a06191.html">List·of·all·members</a>··</div>71 <a·href="../../d8/d67/a06191.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::AdvancedElectrostatic·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::AdvancedElectrostatic·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dc/d57/a00194_source.html">BALL/SCORING/COMPONENTS/advElectrostatic.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMPONENTS/advElectrostatic.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::AdvancedElectrostatic:</div>77 Inheritance·diagram·for·BALL::AdvancedElectrostatic:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d8/df6/a06194.png"·usemap="#BALL::AdvancedElectrostatic_map"·alt=""/>80 ··<img·src="../../d8/df6/a06194.png"·usemap="#BALL::AdvancedElectrostatic_map"·alt=""/>
81 ··<map·id="BALL::AdvancedElectrostatic_map"·name="BALL::AdvancedElectrostatic_map">81 ··<map·id="BALL::AdvancedElectrostatic_map"·name="BALL::AdvancedElectrostatic_map">
82 <area·href="../../d1/d66/a06266.html"·alt="BALL::Electrostatic"·shape="rect"·coords="0,56,176,80"/>82 <area·href="../../d1/d66/a06266.html"·alt="BALL::Electrostatic"·shape="rect"·coords="0,56,176,80"/>
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194 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>194 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>
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196 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>196 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
197 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>197 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
198 </table>198 </table>
199 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>199 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
200 <div·class="textblock">200 <div·class="textblock">
201 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d57/a00194_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../dc/d57/a00194_source.html">advElectrostatic.h</a>.</p>201 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d50/a02081_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d2/d50/a02081_source.html">advElectrostatic.h</a>.</p>
202 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>202 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
203 <a·id="a98cdaf8a2d10e754f9bf57675793c898"·name="a98cdaf8a2d10e754f9bf57675793c898"></a>203 <a·id="a98cdaf8a2d10e754f9bf57675793c898"·name="a98cdaf8a2d10e754f9bf57675793c898"></a>
204 <h2·class="memtitle"><span·class="permalink"><a·href="#a98cdaf8a2d10e754f9bf57675793c898">&#9670;&nbsp;</a></span>AdvancedElectrostatic()·<span·class="overload">[1/2]</span></h2>204 <h2·class="memtitle"><span·class="permalink"><a·href="#a98cdaf8a2d10e754f9bf57675793c898">&#9670;&nbsp;</a></span>AdvancedElectrostatic()·<span·class="overload">[1/2]</span></h2>
  
205 <div·class="memitem">205 <div·class="memitem">
206 <div·class="memproto">206 <div·class="memproto">
207 ······<table·class="memname">207 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d2/df0/a03119.html">List·of·all·members</a>··</div>71 <a·href="../../d2/df0/a03119.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Exception::OutOfGrid·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::OutOfGrid·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Exception::OutOfGrid:</div>77 Inheritance·diagram·for·BALL::Exception::OutOfGrid:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d8/dfb/a03122.png"·usemap="#BALL::Exception::OutOfGrid_map"·alt=""/>80 ··<img·src="../../d8/dfb/a03122.png"·usemap="#BALL::Exception::OutOfGrid_map"·alt=""/>
81 ··<map·id="BALL::Exception::OutOfGrid_map"·name="BALL::Exception::OutOfGrid_map">81 ··<map·id="BALL::Exception::OutOfGrid_map"·name="BALL::Exception::OutOfGrid_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>Out·of·grid·error.·</p>136 <div·class="textblock"><p·>Out·of·grid·error.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00349">349</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00349">349</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="aa7c9f0159cf882fbe8f2eab14a6b3ba3"·name="aa7c9f0159cf882fbe8f2eab14a6b3ba3"></a>139 <a·id="aa7c9f0159cf882fbe8f2eab14a6b3ba3"·name="aa7c9f0159cf882fbe8f2eab14a6b3ba3"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#aa7c9f0159cf882fbe8f2eab14a6b3ba3">&#9670;&nbsp;</a></span>OutOfGrid()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#aa7c9f0159cf882fbe8f2eab14a6b3ba3">&#9670;&nbsp;</a></span>OutOfGrid()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
142 <div·class="memproto">142 <div·class="memproto">
143 ······<table·class="memname">143 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../d3/dac/a05307.html">List·of·all·members</a>··</div>71 <a·href="../../d3/dac/a05307.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::MMFF94AtomTyper::AromaticType·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::MMFF94AtomTyper::AromaticType·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/d20/a00980_source.html">BALL/MOLMEC/MMFF94/MMFF94Processors.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d06/a00131_source.html">BALL/MOLMEC/MMFF94/MMFF94Processors.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a7d403d6ce66b3a418b81973865417efd"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dfd/a05310.html#a7d403d6ce66b3a418b81973865417efd">new_type</a></td></tr>79 <tr·class="memitem:a7d403d6ce66b3a418b81973865417efd"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dfd/a05310.html#a7d403d6ce66b3a418b81973865417efd">new_type</a></td></tr>
80 <tr·class="separator:a7d403d6ce66b3a418b81973865417efd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a7d403d6ce66b3a418b81973865417efd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:aed044e2fe630dab8415190f8ffe64bca"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dfd/a05310.html#aed044e2fe630dab8415190f8ffe64bca">atomic_number</a></td></tr>81 <tr·class="memitem:aed044e2fe630dab8415190f8ffe64bca"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dfd/a05310.html#aed044e2fe630dab8415190f8ffe64bca">atomic_number</a></td></tr>
82 <tr·class="separator:aed044e2fe630dab8415190f8ffe64bca"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:aed044e2fe630dab8415190f8ffe64bca"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a9abcdd26e3cce39945addbfb7a6ae269"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dfd/a05310.html#a9abcdd26e3cce39945addbfb7a6ae269">cation</a></td></tr>83 <tr·class="memitem:a9abcdd26e3cce39945addbfb7a6ae269"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dfd/a05310.html#a9abcdd26e3cce39945addbfb7a6ae269">cation</a></td></tr>
84 <tr·class="separator:a9abcdd26e3cce39945addbfb7a6ae269"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a9abcdd26e3cce39945addbfb7a6ae269"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 <tr·class="memitem:aaa19729e5f61ab45296cb2b184503031"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dfd/a05310.html#aaa19729e5f61ab45296cb2b184503031">anion</a></td></tr>85 <tr·class="memitem:aaa19729e5f61ab45296cb2b184503031"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dfd/a05310.html#aaa19729e5f61ab45296cb2b184503031">anion</a></td></tr>
86 <tr·class="separator:aaa19729e5f61ab45296cb2b184503031"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:aaa19729e5f61ab45296cb2b184503031"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table>87 </table>
88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
89 <div·class="textblock">89 <div·class="textblock">
90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d20/a00980_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../db/d20/a00980_source.html">MMFF94Processors.h</a>.</p>90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d06/a00131_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d7/d06/a00131_source.html">MMFF94Processors.h</a>.</p>
91 </div><h2·class="groupheader">Member·Data·Documentation</h2>91 </div><h2·class="groupheader">Member·Data·Documentation</h2>
92 <a·id="aaa19729e5f61ab45296cb2b184503031"·name="aaa19729e5f61ab45296cb2b184503031"></a>92 <a·id="aaa19729e5f61ab45296cb2b184503031"·name="aaa19729e5f61ab45296cb2b184503031"></a>
93 <h2·class="memtitle"><span·class="permalink"><a·href="#aaa19729e5f61ab45296cb2b184503031">&#9670;&nbsp;</a></span>anion</h2>93 <h2·class="memtitle"><span·class="permalink"><a·href="#aaa19729e5f61ab45296cb2b184503031">&#9670;&nbsp;</a></span>anion</h2>
  
94 <div·class="memitem">94 <div·class="memitem">
95 <div·class="memproto">95 <div·class="memproto">
96 ······<table·class="memname">96 ······<table·class="memname">
97 ········<tr>97 ········<tr>
98 ··········<td·class="memname"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>·BALL::MMFF94AtomTyper::AromaticType::anion</td>98 ··········<td·class="memname"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>·BALL::MMFF94AtomTyper::AromaticType::anion</td>
99 ········</tr>99 ········</tr>
100 ······</table>100 ······</table>
101 </div><div·class="memdoc">101 </div><div·class="memdoc">
  
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d20/a00980_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../db/d20/a00980_source.html">MMFF94Processors.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d06/a00131_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../d7/d06/a00131_source.html">MMFF94Processors.h</a>.</p>
  
103 </div>103 </div>
104 </div>104 </div>
105 <a·id="aed044e2fe630dab8415190f8ffe64bca"·name="aed044e2fe630dab8415190f8ffe64bca"></a>105 <a·id="aed044e2fe630dab8415190f8ffe64bca"·name="aed044e2fe630dab8415190f8ffe64bca"></a>
106 <h2·class="memtitle"><span·class="permalink"><a·href="#aed044e2fe630dab8415190f8ffe64bca">&#9670;&nbsp;</a></span>atomic_number</h2>106 <h2·class="memtitle"><span·class="permalink"><a·href="#aed044e2fe630dab8415190f8ffe64bca">&#9670;&nbsp;</a></span>atomic_number</h2>
  
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116 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·BALL::MMFF94AtomTyper::AromaticType::atomic_number</td>116 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·BALL::MMFF94AtomTyper::AromaticType::atomic_number</td>
117 ········</tr>117 ········</tr>
118 ······</table>118 ······</table>
119 </div><div·class="memdoc">119 </div><div·class="memdoc">
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d20/a00980_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../db/d20/a00980_source.html">MMFF94Processors.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d06/a00131_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d7/d06/a00131_source.html">MMFF94Processors.h</a>.</p>
  
121 </div>121 </div>
122 </div>122 </div>
123 <a·id="a9abcdd26e3cce39945addbfb7a6ae269"·name="a9abcdd26e3cce39945addbfb7a6ae269"></a>123 <a·id="a9abcdd26e3cce39945addbfb7a6ae269"·name="a9abcdd26e3cce39945addbfb7a6ae269"></a>
124 <h2·class="memtitle"><span·class="permalink"><a·href="#a9abcdd26e3cce39945addbfb7a6ae269">&#9670;&nbsp;</a></span>cation</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#a9abcdd26e3cce39945addbfb7a6ae269">&#9670;&nbsp;</a></span>cation</h2>
  
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132 ··········<td·class="memname"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>·BALL::MMFF94AtomTyper::AromaticType::cation</td>132 ··········<td·class="memname"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>·BALL::MMFF94AtomTyper::AromaticType::cation</td>
133 ········</tr>133 ········</tr>
134 ······</table>134 ······</table>
135 </div><div·class="memdoc">135 </div><div·class="memdoc">
  
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d20/a00980_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../db/d20/a00980_source.html">MMFF94Processors.h</a>.</p>136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d06/a00131_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d7/d06/a00131_source.html">MMFF94Processors.h</a>.</p>
  
137 </div>137 </div>
138 </div>138 </div>
139 <a·id="a7d403d6ce66b3a418b81973865417efd"·name="a7d403d6ce66b3a418b81973865417efd"></a>139 <a·id="a7d403d6ce66b3a418b81973865417efd"·name="a7d403d6ce66b3a418b81973865417efd"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a7d403d6ce66b3a418b81973865417efd">&#9670;&nbsp;</a></span>new_type</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a7d403d6ce66b3a418b81973865417efd">&#9670;&nbsp;</a></span>new_type</h2>
  
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148 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::MMFF94AtomTyper::AromaticType::new_type</td>148 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::MMFF94AtomTyper::AromaticType::new_type</td>
149 ········</tr>149 ········</tr>
150 ······</table>150 ······</table>
151 </div><div·class="memdoc">151 </div><div·class="memdoc">
  
152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d20/a00980_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../db/d20/a00980_source.html">MMFF94Processors.h</a>.</p>152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d06/a00131_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d7/d06/a00131_source.html">MMFF94Processors.h</a>.</p>
  
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158 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4158 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../de/d43/a06867.html">List·of·all·members</a>··</div>70 <a·href="../../de/d43/a06867.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::FragmentDB::NormalizeNamesProcessor·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::FragmentDB::NormalizeNamesProcessor·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/STRUCTURE/fragmentDB.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../df/d9a/a01715_source.html">BALL/STRUCTURE/fragmentDB.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::FragmentDB::NormalizeNamesProcessor:</div>76 Inheritance·diagram·for·BALL::FragmentDB::NormalizeNamesProcessor:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d9/d00/a06870.png"·usemap="#BALL::FragmentDB::NormalizeNamesProcessor_map"·alt=""/>79 ··<img·src="../../d9/d00/a06870.png"·usemap="#BALL::FragmentDB::NormalizeNamesProcessor_map"·alt=""/>
80 ··<map·id="BALL::FragmentDB::NormalizeNamesProcessor_map"·name="BALL::FragmentDB::NormalizeNamesProcessor_map">80 ··<map·id="BALL::FragmentDB::NormalizeNamesProcessor_map"·name="BALL::FragmentDB::NormalizeNamesProcessor_map">
81 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Fragment·&gt;"·shape="rect"·coords="0,56,311,80"/>81 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Fragment·&gt;"·shape="rect"·coords="0,56,311,80"/>
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85 </div></div>85 </div></div>
86 <table·class="memberdecls">86 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
88 Public·Member·Functions</h2></td></tr>88 Public·Member·Functions</h2></td></tr>
89 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>89 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>
90 <tr·class="memitem:a2a3bbde825b9367d14c8adeb86050f99"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#a2a3bbde825b9367d14c8adeb86050f99">NormalizeNamesProcessor</a>·()</td></tr>90 <tr·class="memitem:a2a3bbde825b9367d14c8adeb86050f99"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#a2a3bbde825b9367d14c8adeb86050f99">NormalizeNamesProcessor</a>·()</td></tr>
91 <tr·class="separator:a2a3bbde825b9367d14c8adeb86050f99"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a2a3bbde825b9367d14c8adeb86050f99"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:a92cdc3143f21c04719c6e827c2198b74"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#a92cdc3143f21c04719c6e827c2198b74">NormalizeNamesProcessor</a>·(<a·class="el"·href="../../d7/d89/a06862.html">FragmentDB</a>·&amp;<a·class="el"·href="../../d8/d38/a00926.html#a89a7f6028a19c3dc081cc5f16eb53891">db</a>)</td></tr>92 <tr·class="memitem:a92cdc3143f21c04719c6e827c2198b74"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#a92cdc3143f21c04719c6e827c2198b74">NormalizeNamesProcessor</a>·(<a·class="el"·href="../../d7/d89/a06862.html">FragmentDB</a>·&amp;<a·class="el"·href="../../da/d45/a00011.html#a89a7f6028a19c3dc081cc5f16eb53891">db</a>)</td></tr>
93 <tr·class="separator:a92cdc3143f21c04719c6e827c2198b74"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:a92cdc3143f21c04719c6e827c2198b74"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 <tr·class="memitem:a08fa6e860601816bd5d58d193b5a2565"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#a08fa6e860601816bd5d58d193b5a2565">~NormalizeNamesProcessor</a>·()</td></tr>94 <tr·class="memitem:a08fa6e860601816bd5d58d193b5a2565"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#a08fa6e860601816bd5d58d193b5a2565">~NormalizeNamesProcessor</a>·()</td></tr>
95 <tr·class="separator:a08fa6e860601816bd5d58d193b5a2565"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:a08fa6e860601816bd5d58d193b5a2565"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 <tr><td·colspan="2"><div·class="groupHeader">Inspectors·and·Mutators</div></td></tr>96 <tr><td·colspan="2"><div·class="groupHeader">Inspectors·and·Mutators</div></td></tr>
97 <tr·class="memitem:adfaa753214e4068eb17775a66f49fd02"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#adfaa753214e4068eb17775a66f49fd02">setFragmentDB</a>·(<a·class="el"·href="../../d7/d89/a06862.html">FragmentDB</a>·&amp;<a·class="el"·href="../../d8/d38/a00926.html#a89a7f6028a19c3dc081cc5f16eb53891">db</a>)</td></tr>97 <tr·class="memitem:adfaa753214e4068eb17775a66f49fd02"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#adfaa753214e4068eb17775a66f49fd02">setFragmentDB</a>·(<a·class="el"·href="../../d7/d89/a06862.html">FragmentDB</a>·&amp;<a·class="el"·href="../../da/d45/a00011.html#a89a7f6028a19c3dc081cc5f16eb53891">db</a>)</td></tr>
98 <tr·class="separator:adfaa753214e4068eb17775a66f49fd02"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:adfaa753214e4068eb17775a66f49fd02"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 <tr·class="memitem:a868a9f6477715347d147d26ae93768d8"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#a868a9f6477715347d147d26ae93768d8">setNamingStandard</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;naming_standard)</td></tr>99 <tr·class="memitem:a868a9f6477715347d147d26ae93768d8"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#a868a9f6477715347d147d26ae93768d8">setNamingStandard</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;naming_standard)</td></tr>
100 <tr·class="separator:a868a9f6477715347d147d26ae93768d8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:a868a9f6477715347d147d26ae93768d8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 <tr·class="memitem:aa16c08c92b4e61f77d615379c295601c"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#aa16c08c92b4e61f77d615379c295601c">getNamingStandard</a>·()</td></tr>101 <tr·class="memitem:aa16c08c92b4e61f77d615379c295601c"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#aa16c08c92b4e61f77d615379c295601c">getNamingStandard</a>·()</td></tr>
102 <tr·class="separator:aa16c08c92b4e61f77d615379c295601c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:aa16c08c92b4e61f77d615379c295601c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 <tr·class="memitem:a3f071ec4e44fc939b7dbf7a50c3f1d32"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#a3f071ec4e44fc939b7dbf7a50c3f1d32">matchName</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;res_name,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;atom_name,·const·<a·class="el"·href="../../d7/d89/a06862.html#a4d93938fd1377c04738dccea91c2e785">NameMap</a>·&amp;map)·const</td></tr>103 <tr·class="memitem:a3f071ec4e44fc939b7dbf7a50c3f1d32"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#a3f071ec4e44fc939b7dbf7a50c3f1d32">matchName</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;res_name,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;atom_name,·const·<a·class="el"·href="../../d7/d89/a06862.html#a4d93938fd1377c04738dccea91c2e785">NameMap</a>·&amp;map)·const</td></tr>
104 <tr·class="separator:a3f071ec4e44fc939b7dbf7a50c3f1d32"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:a3f071ec4e44fc939b7dbf7a50c3f1d32"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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133 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../db/da2/a04526.html">Fragment</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>134 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../db/da2/a04526.html">Fragment</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
135 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>135 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
136 </table>136 </table>
137 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>137 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
138 <div·class="textblock"><p·>Name·normalization·processor.·This·class·is·used·to·adopt·all·names·in·a·molecular·system·to·a·given·naming·standard·(usually·the·<a·class="el"·href="../../d3/d10/a02226.html">PDB</a>·standard).·</p>138 <div·class="textblock"><p·>Name·normalization·processor.·This·class·is·used·to·adopt·all·names·in·a·molecular·system·to·a·given·naming·standard·(usually·the·<a·class="el"·href="../../d3/d10/a02226.html">PDB</a>·standard).·</p>
  
139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00254">254</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">fragmentDB.h</a>.</p>139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d9a/a01715_source.html#l00254">254</a>·of·file·<a·class="el"·href="../../df/d9a/a01715_source.html">fragmentDB.h</a>.</p>
140 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>140 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
141 <a·id="a2a3bbde825b9367d14c8adeb86050f99"·name="a2a3bbde825b9367d14c8adeb86050f99"></a>141 <a·id="a2a3bbde825b9367d14c8adeb86050f99"·name="a2a3bbde825b9367d14c8adeb86050f99"></a>
142 <h2·class="memtitle"><span·class="permalink"><a·href="#a2a3bbde825b9367d14c8adeb86050f99">&#9670;&nbsp;</a></span>NormalizeNamesProcessor()·<span·class="overload">[1/2]</span></h2>142 <h2·class="memtitle"><span·class="permalink"><a·href="#a2a3bbde825b9367d14c8adeb86050f99">&#9670;&nbsp;</a></span>NormalizeNamesProcessor()·<span·class="overload">[1/2]</span></h2>
  
143 <div·class="memitem">143 <div·class="memitem">
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145 ······<table·class="memname">145 ······<table·class="memname">
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72 ··<div·class="headertitle"><div·class="title">BALL::Peptides::NameConverter::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Peptides::NameConverter::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../d9/d00/a07022.html"·title="Default·values·for·options.">Default</a>·values·for·options.··75 <p><a·class="el"·href="../../d9/d00/a07022.html"·title="Default·values·for·options.">Default</a>·values·for·options.··
76 ·<a·href="../../d9/d00/a07022.html#details">More...</a></p>76 ·<a·href="../../d9/d00/a07022.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d0/d0a/a00743_source.html">BALL/STRUCTURE/peptides.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d2/d45/a01826_source.html">BALL/STRUCTURE/peptides.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
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80 Static·Public·Attributes</h2></td></tr>80 Static·Public·Attributes</h2></td></tr>
81 <tr·class="memitem:a39ff0d0d88f3f7923c243f6ec30300df"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a07022.html#a39ff0d0d88f3f7923c243f6ec30300df">INIFile</a></td></tr>81 <tr·class="memitem:a39ff0d0d88f3f7923c243f6ec30300df"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a07022.html#a39ff0d0d88f3f7923c243f6ec30300df">INIFile</a></td></tr>
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84 <tr·class="separator:a313839f123b1de1100f0c7e314cd32bb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a313839f123b1de1100f0c7e314cd32bb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock"><p·><a·class="el"·href="../../d9/d00/a07022.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>87 <div·class="textblock"><p·><a·class="el"·href="../../d9/d00/a07022.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>
  
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d0a/a00743_source.html#l00176">176</a>·of·file·<a·class="el"·href="../../d0/d0a/a00743_source.html">peptides.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d45/a01826_source.html#l00176">176</a>·of·file·<a·class="el"·href="../../d2/d45/a01826_source.html">peptides.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="a39ff0d0d88f3f7923c243f6ec30300df"·name="a39ff0d0d88f3f7923c243f6ec30300df"></a>90 <a·id="a39ff0d0d88f3f7923c243f6ec30300df"·name="a39ff0d0d88f3f7923c243f6ec30300df"></a>
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106 ··</td>106 ··</td>
107 ··<td·class="mlabels-right">107 ··<td·class="mlabels-right">
108 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>108 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
109 ··</tr>109 ··</tr>
110 </table>110 </table>
111 </div><div·class="memdoc">111 </div><div·class="memdoc">
  
112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d0a/a00743_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../d0/d0a/a00743_source.html">peptides.h</a>.</p>112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d45/a01826_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../d2/d45/a01826_source.html">peptides.h</a>.</p>
  
113 </div>113 </div>
114 </div>114 </div>
115 <a·id="a313839f123b1de1100f0c7e314cd32bb"·name="a313839f123b1de1100f0c7e314cd32bb"></a>115 <a·id="a313839f123b1de1100f0c7e314cd32bb"·name="a313839f123b1de1100f0c7e314cd32bb"></a>
116 <h2·class="memtitle"><span·class="permalink"><a·href="#a313839f123b1de1100f0c7e314cd32bb">&#9670;&nbsp;</a></span>PSEUDO_ATOMS_INIFile</h2>116 <h2·class="memtitle"><span·class="permalink"><a·href="#a313839f123b1de1100f0c7e314cd32bb">&#9670;&nbsp;</a></span>PSEUDO_ATOMS_INIFile</h2>
  
117 <div·class="memitem">117 <div·class="memitem">
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130 ··</td>130 ··</td>
131 ··<td·class="mlabels-right">131 ··<td·class="mlabels-right">
132 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>132 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
133 ··</tr>133 ··</tr>
134 </table>134 </table>
135 </div><div·class="memdoc">135 </div><div·class="memdoc">
  
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d0a/a00743_source.html#l00179">179</a>·of·file·<a·class="el"·href="../../d0/d0a/a00743_source.html">peptides.h</a>.</p>136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d45/a01826_source.html#l00179">179</a>·of·file·<a·class="el"·href="../../d2/d45/a01826_source.html">peptides.h</a>.</p>
  
137 </div>137 </div>
138 </div>138 </div>
139 </div><!--·contents·-->139 </div><!--·contents·-->
140 <!--·start·footer·part·-->140 <!--·start·footer·part·-->
141 <hr·class="footer"/><address·class="footer"><small>141 <hr·class="footer"/><address·class="footer"><small>
142 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4142 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../d2/dfb/a06863.html">List·of·all·members</a>··</div>72 <a·href="../../d2/dfb/a06863.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::FragmentDB::NoFragmentNode·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::FragmentDB::NoFragmentNode·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/STRUCTURE/fragmentDB.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../df/d9a/a01715_source.html">BALL/STRUCTURE/fragmentDB.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::FragmentDB::NoFragmentNode:</div>78 Inheritance·diagram·for·BALL::FragmentDB::NoFragmentNode:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d9/d03/a06866.png"·usemap="#BALL::FragmentDB::NoFragmentNode_map"·alt=""/>81 ··<img·src="../../d9/d03/a06866.png"·usemap="#BALL::FragmentDB::NoFragmentNode_map"·alt=""/>
82 ··<map·id="BALL::FragmentDB::NoFragmentNode_map"·name="BALL::FragmentDB::NoFragmentNode_map">82 ··<map·id="BALL::FragmentDB::NoFragmentNode_map"·name="BALL::FragmentDB::NoFragmentNode_map">
83 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,224,80"/>83 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,224,80"/>
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136 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>136 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
137 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>137 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
138 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 </table>139 </table>
140 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>140 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
141 <div·class="textblock"><p·>No·fragment·node·found.·This·exception·is·thrown·by·<a·class="el"·href="../../d7/d89/a06862.html#a9880a81ab2d33676a9b4c821d2cb1509">init·</a>·if·the·resource·database·does·not·contain·a·<code>Fragments</code>·entry.·</p>141 <div·class="textblock"><p·>No·fragment·node·found.·This·exception·is·thrown·by·<a·class="el"·href="../../d7/d89/a06862.html#a9880a81ab2d33676a9b4c821d2cb1509">init·</a>·if·the·resource·database·does·not·contain·a·<code>Fragments</code>·entry.·</p>
  
142 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">fragmentDB.h</a>.</p>142 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d9a/a01715_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../df/d9a/a01715_source.html">fragmentDB.h</a>.</p>
143 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>143 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
144 <a·id="a950cefc0c09ccf3de3c0beb9a431c218"·name="a950cefc0c09ccf3de3c0beb9a431c218"></a>144 <a·id="a950cefc0c09ccf3de3c0beb9a431c218"·name="a950cefc0c09ccf3de3c0beb9a431c218"></a>
145 <h2·class="memtitle"><span·class="permalink"><a·href="#a950cefc0c09ccf3de3c0beb9a431c218">&#9670;&nbsp;</a></span>NoFragmentNode()</h2>145 <h2·class="memtitle"><span·class="permalink"><a·href="#a950cefc0c09ccf3de3c0beb9a431c218">&#9670;&nbsp;</a></span>NoFragmentNode()</h2>
  
146 <div·class="memitem">146 <div·class="memitem">
147 <div·class="memproto">147 <div·class="memproto">
148 ······<table·class="memname">148 ······<table·class="memname">
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201 ··</td>201 ··</td>
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203 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>203 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
204 ··</tr>204 ··</tr>
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206 </div><div·class="memdoc">206 </div><div·class="memdoc">
  
207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00092">92</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">fragmentDB.h</a>.</p>207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d9a/a01715_source.html#l00092">92</a>·of·file·<a·class="el"·href="../../df/d9a/a01715_source.html">fragmentDB.h</a>.</p>
  
208 </div>208 </div>
209 </div>209 </div>
210 <h2·class="groupheader">Member·Data·Documentation</h2>210 <h2·class="groupheader">Member·Data·Documentation</h2>
211 <a·id="a26cdb7088e4d2d0c937613e2584afa9d"·name="a26cdb7088e4d2d0c937613e2584afa9d"></a>211 <a·id="a26cdb7088e4d2d0c937613e2584afa9d"·name="a26cdb7088e4d2d0c937613e2584afa9d"></a>
212 <h2·class="memtitle"><span·class="permalink"><a·href="#a26cdb7088e4d2d0c937613e2584afa9d">&#9670;&nbsp;</a></span>filename_</h2>212 <h2·class="memtitle"><span·class="permalink"><a·href="#a26cdb7088e4d2d0c937613e2584afa9d">&#9670;&nbsp;</a></span>filename_</h2>
  
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226 ··</td>226 ··</td>
227 ··<td·class="mlabels-right">227 ··<td·class="mlabels-right">
228 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>228 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
229 ··</tr>229 ··</tr>
230 </table>230 </table>
231 </div><div·class="memdoc">231 </div><div·class="memdoc">
  
232 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">fragmentDB.h</a>.</p>232 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d9a/a01715_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../df/d9a/a01715_source.html">fragmentDB.h</a>.</p>
  
233 </div>233 </div>
234 </div>234 </div>
235 </div><!--·contents·-->235 </div><!--·contents·-->
236 <!--·start·footer·part·-->236 <!--·start·footer·part·-->
237 <hr·class="footer"/><address·class="footer"><small>237 <hr·class="footer"/><address·class="footer"><small>
238 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4238 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d0/dfa/a04759.html">List·of·all·members</a>··</div>71 <a·href="../../d0/dfa/a04759.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Conformation4C1Predicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Conformation4C1Predicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Conformation4C1Predicate:</div>77 Inheritance·diagram·for·BALL::Conformation4C1Predicate:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d9/d08/a04762.png"·usemap="#BALL::Conformation4C1Predicate_map"·alt=""/>80 ··<img·src="../../d9/d08/a04762.png"·usemap="#BALL::Conformation4C1Predicate_map"·alt=""/>
81 ··<map·id="BALL::Conformation4C1Predicate_map"·name="BALL::Conformation4C1Predicate_map">81 ··<map·id="BALL::Conformation4C1Predicate_map"·name="BALL::Conformation4C1Predicate_map">
82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Predicate·for·determining·whether·a·sugar·ring·is·in·4C1·conformation.·</p>122 <div·class="textblock"><p·>Predicate·for·determining·whether·a·sugar·ring·is·in·4C1·conformation.·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00818">818</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00818">818</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
125 <a·id="a980beef43237d3312e75e37ae600c5e3"·name="a980beef43237d3312e75e37ae600c5e3"></a>125 <a·id="a980beef43237d3312e75e37ae600c5e3"·name="a980beef43237d3312e75e37ae600c5e3"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a980beef43237d3312e75e37ae600c5e3">&#9670;&nbsp;</a></span>operator()()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a980beef43237d3312e75e37ae600c5e3">&#9670;&nbsp;</a></span>operator()()</h2>
  
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d4/da7/a08195.html">List·of·all·members</a>··</div>70 <a·href="../../d4/da7/a08195.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SimpleBox·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SimpleBox·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d7/d1d/a01475_source.html">BALL/VIEW/PRIMITIVES/simpleBox.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../de/d70/a01415_source.html">BALL/VIEW/PRIMITIVES/simpleBox.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::SimpleBox:</div>76 Inheritance·diagram·for·BALL::VIEW::SimpleBox:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d9/d08/a08198.png"·usemap="#BALL::VIEW::SimpleBox_map"·alt=""/>79 ··<img·src="../../d9/d08/a08198.png"·usemap="#BALL::VIEW::SimpleBox_map"·alt=""/>
80 ··<map·id="BALL::VIEW::SimpleBox_map"·name="BALL::VIEW::SimpleBox_map">80 ··<map·id="BALL::VIEW::SimpleBox_map"·name="BALL::VIEW::SimpleBox_map">
81 <area·href="../../da/dd2/a04898.html"·alt="BALL::TSimpleBox3&lt;·float·&gt;"·shape="rect"·coords="0,0,180,24"/>81 <area·href="../../da/dd2/a04898.html"·alt="BALL::TSimpleBox3&lt;·float·&gt;"·shape="rect"·coords="0,0,180,24"/>
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204 <tr·class="memitem:ad4e0a36e9d526c64bb23c383e43f0562·inherit·pub_attribs_a04898"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd2/a04898.html#ad4e0a36e9d526c64bb23c383e43f0562">b</a></td></tr>204 <tr·class="memitem:ad4e0a36e9d526c64bb23c383e43f0562·inherit·pub_attribs_a04898"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd2/a04898.html#ad4e0a36e9d526c64bb23c383e43f0562">b</a></td></tr>
205 <tr·class="separator:ad4e0a36e9d526c64bb23c383e43f0562·inherit·pub_attribs_a04898"><td·class="memSeparator"·colspan="2">&#160;</td></tr>205 <tr·class="separator:ad4e0a36e9d526c64bb23c383e43f0562·inherit·pub_attribs_a04898"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
206 </table>206 </table>
207 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>207 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
208 <div·class="textblock"><p·><a·class="el"·href="../../d9/d08/a08198.html">SimpleBox</a>·class.·<br··/>208 <div·class="textblock"><p·><a·class="el"·href="../../d9/d08/a08198.html">SimpleBox</a>·class.·<br··/>
209 ·An·instance·of·this·class·represents·an·instance·of·the·geometric·representation·of·a·simple·box.·A·simpleBox·is·a·box·whose·sides·are·parallel·to·the·coordinate·axes.·The·class·<a·class="el"·href="../../d9/d08/a08198.html">SimpleBox</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·SimpleBox3.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>209 ·An·instance·of·this·class·represents·an·instance·of·the·geometric·representation·of·a·simple·box.·A·simpleBox·is·a·box·whose·sides·are·parallel·to·the·coordinate·axes.·The·class·<a·class="el"·href="../../d9/d08/a08198.html">SimpleBox</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·SimpleBox3.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
210 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d1d/a01475_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d7/d1d/a01475_source.html">simpleBox.h</a>.</p>210 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d70/a01415_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../de/d70/a01415_source.html">simpleBox.h</a>.</p>
211 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>211 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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213 <h2·class="memtitle"><span·class="permalink"><a·href="#a3b3befd3539981d9deaf2a2dd89cfa1b">&#9670;&nbsp;</a></span>SimpleBox()·<span·class="overload">[1/2]</span></h2>213 <h2·class="memtitle"><span·class="permalink"><a·href="#a3b3befd3539981d9deaf2a2dd89cfa1b">&#9670;&nbsp;</a></span>SimpleBox()·<span·class="overload">[1/2]</span></h2>
  
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">uhligCavFreeEnergyProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">atomTyper.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/ENERGY/energyProcessor.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;vector&gt;</code><br·/>
77 </div>77 </div>
78 <p><a·href="../../d9/d0d/a01748_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d9/d0d/a01748_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">79 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>81 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d03/a06618.html">BALL::UhligCavFreeEnergyProcessor</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d9e/a06654.html">BALL::AtomTyper</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dab/a06622.html">BALL::UhligCavFreeEnergyProcessor::Option</a></td></tr> 
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/ddc/a06626.html">BALL::UhligCavFreeEnergyProcessor::Default</a></td></tr> 
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table><table·class="memberdecls">84 </table><table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
90 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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72 </div><!--header-->69 </div><!--header-->
73 <div·class="contents">70 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>71 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d5d/a00278_source.html">BALL/MATHS/analyticalGeometry.h</a>&gt;</code><br·/>
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77 <p><a·href="../../d9/d0f/a00644_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d9/d0f/a00644_source.html">Go·to·the·source·code·of·this·file.</a></p>
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73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dce/a01859_source.html">BALL/MATHS/cubicSpline2D.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d91/a00335_source.html">BALL/QSAR/classificationModel.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d3/d19/a01847_source.html">BALL/MATHS/cubicSpline1D.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d8/d41/a00038_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d2/d9d/a00464_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d8/d23/a00326_source.html">BALL/KERNEL/expression.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;set&gt;</code><br·/> 
81 <code>#include·&lt;map&gt;</code><br·/> 
82 </div>75 </div>
83 <p><a·href="../../d9/d10/a00449_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d9/d10/a00449_source.html">Go·to·the·source·code·of·this·file.</a></p>
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74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d85/a00908_source.html">BALL/MOLMEC/COMMON/snapShotManager.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
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75 <code>#include·&lt;vector&gt;</code><br·/> 
76 <code>#include·&lt;deque&gt;</code><br·/> 
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78 <p><a·href="../../d9/d10/a01103_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d9/d10/a01103_source.html">Go·to·the·source·code·of·this·file.</a></p>
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71 ··<div·class="headertitle"><div·class="title">stringHashMap.h·File·Reference</div></div>64 ··<div·class="headertitle"><div·class="title">solvation.doc·File·Reference</div></div>
72 </div><!--header-->65 </div><!--header-->
73 <div·class="contents">66 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/> 
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76 <code>#include·&lt;<a·class="el"·href="../../d3/d2d/a01625_source.html">BALL/CONCEPT/visitor.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/> 
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80 </div> 
81 <p><a·href="../../d9/d17/a01937_source.html">Go·to·the·source·code·of·this·file.</a></p> 
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72 ··<div·class="headertitle"><div·class="title">BALL::BranchAndBoundBondOrderStrategy::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::BranchAndBoundBondOrderStrategy::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
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76 ·<a·href="../../d9/d17/a06734.html#details">More...</a></p>76 ·<a·href="../../d9/d17/a06734.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../dd/dc0/a00611_source.html">BALL/STRUCTURE/BONDORDERS/branchAndBoundBondOrderStrategy.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../df/d12/a01703_source.html">BALL/STRUCTURE/BONDORDERS/branchAndBoundBondOrderStrategy.h</a>&gt;</code></p>
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86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dc0/a00611_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../dd/dc0/a00611_source.html">branchAndBoundBondOrderStrategy.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d12/a01703_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../df/d12/a01703_source.html">branchAndBoundBondOrderStrategy.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="a9468ec22e76684b8c512b9a07222a79b"·name="a9468ec22e76684b8c512b9a07222a79b"></a>88 <a·id="a9468ec22e76684b8c512b9a07222a79b"·name="a9468ec22e76684b8c512b9a07222a79b"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#a9468ec22e76684b8c512b9a07222a79b">&#9670;&nbsp;</a></span>BRANCH_AND_BOUND_CUTOFF</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#a9468ec22e76684b8c512b9a07222a79b">&#9670;&nbsp;</a></span>BRANCH_AND_BOUND_CUTOFF</h2>
  
90 <div·class="memitem">90 <div·class="memitem">
91 <div·class="memproto">91 <div·class="memproto">
92 <table·class="mlabels">92 <table·class="mlabels">
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106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
107 ··</tr>107 ··</tr>
108 </table>108 </table>
109 </div><div·class="memdoc">109 </div><div·class="memdoc">
110 <p·>the·percentage·cutoff·for·keeping·PQ-Entries·in·the·branch·and·bound·algorithm.·<a·class="el"·href="../../d4/d54/a06738.html">Default</a>·is·1.2.·</p><dl·class="section·see"><dt>See·also</dt><dd>Option::AlgorithmBRANCH_AND_BOUND;·</dd></dl>110 <p·>the·percentage·cutoff·for·keeping·PQ-Entries·in·the·branch·and·bound·algorithm.·<a·class="el"·href="../../d4/d54/a06738.html">Default</a>·is·1.2.·</p><dl·class="section·see"><dt>See·also</dt><dd>Option::AlgorithmBRANCH_AND_BOUND;·</dd></dl>
111 <dl·class="section·user"><dt></dt><dd><b>NOTE:</b>·This·option·is·still·experimental.·</dd></dl>111 <dl·class="section·user"><dt></dt><dd><b>NOTE:</b>·This·option·is·still·experimental.·</dd></dl>
  
112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dc0/a00611_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../dd/dc0/a00611_source.html">branchAndBoundBondOrderStrategy.h</a>.</p>112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d12/a01703_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../df/d12/a01703_source.html">branchAndBoundBondOrderStrategy.h</a>.</p>
  
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">genericControl.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">flexDefinition.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01574_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dee/a00518_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/>
75 <code>#include·&lt;QtGui/QKeyEvent&gt;</code><br·/> 
76 <code>#include·&lt;QtWidgets/QTreeWidget&gt;</code><br·/> 
77 <code>#include·&lt;QtWidgets/QTreeWidgetItem&gt;</code><br·/> 
78 <code>#include·&lt;QtCore/QList&gt;</code><br·/> 
79 </div>75 </div>
80 <p><a·href="../../d9/d1b/a01583_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d9/d1b/a01583_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls">77 <table·class="memberdecls">
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dff/a08390.html">BALL::VIEW::GenericControl</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d2b/a03662.html">BALL::FlexDefinition</a></td></tr>
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88 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
90 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
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95 </table>87 </table>
96 </div><!--·contents·-->88 </div><!--·contents·-->
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98 <hr·class="footer"/><address·class="footer"><small>90 <hr·class="footer"/><address·class="footer"><small>
99 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.491 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="#pro-slots">Protected·Slots</a>·&#124;72 <a·href="#pro-slots">Protected·Slots</a>·&#124;
73 <a·href="../../d8/d20/a07727.html">List·of·all·members</a>··</div>73 <a·href="../../d8/d20/a07727.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShortcutDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShortcutDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../dc/d8e/a01331_source.html">BALL/VIEW/DIALOGS/shortcutDialog.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d2/d22/a01196_source.html">BALL/VIEW/DIALOGS/shortcutDialog.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::VIEW::ShortcutDialog:</div>79 Inheritance·diagram·for·BALL::VIEW::ShortcutDialog:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../d9/d1c/a07730.png"·usemap="#BALL::VIEW::ShortcutDialog_map"·alt=""/>82 ··<img·src="../../d9/d1c/a07730.png"·usemap="#BALL::VIEW::ShortcutDialog_map"·alt=""/>
83 ··<map·id="BALL::VIEW::ShortcutDialog_map"·name="BALL::VIEW::ShortcutDialog_map">83 ··<map·id="BALL::VIEW::ShortcutDialog_map"·name="BALL::VIEW::ShortcutDialog_map">
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337 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>337 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
338 </table>338 </table>
339 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>339 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
340 <div·class="textblock"><p·>Dialog·for·changing·the·BALLView·shortcuts·</p>340 <div·class="textblock"><p·>Dialog·for·changing·the·BALLView·shortcuts·</p>
  
341 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d8e/a01331_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../dc/d8e/a01331_source.html">shortcutDialog.h</a>.</p>341 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d22/a01196_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d2/d22/a01196_source.html">shortcutDialog.h</a>.</p>
342 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>342 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
343 <a·id="ae4177c8fc8ade67e0e0697d5a9d47777"·name="ae4177c8fc8ade67e0e0697d5a9d47777"></a>343 <a·id="ae4177c8fc8ade67e0e0697d5a9d47777"·name="ae4177c8fc8ade67e0e0697d5a9d47777"></a>
344 <h2·class="memtitle"><span·class="permalink"><a·href="#ae4177c8fc8ade67e0e0697d5a9d47777">&#9670;&nbsp;</a></span>ShortcutDialog()</h2>344 <h2·class="memtitle"><span·class="permalink"><a·href="#ae4177c8fc8ade67e0e0697d5a9d47777">&#9670;&nbsp;</a></span>ShortcutDialog()</h2>
  
345 <div·class="memitem">345 <div·class="memitem">
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73 <a·href="#pro-slots">Protected·Slots</a>·&#124;73 <a·href="#pro-slots">Protected·Slots</a>·&#124;
74 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;74 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
75 <a·href="../../dd/d5b/a08491.html">List·of·all·members</a>··</div>75 <a·href="../../dd/d5b/a08491.html">List·of·all·members</a>··</div>
76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PropertyEditor·Class·Reference</div></div>76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PropertyEditor·Class·Reference</div></div>
77 </div><!--header-->77 </div><!--header-->
78 <div·class="contents">78 <div·class="contents">
  
79 <p><code>#include·&lt;<a·class="el"·href="../../d7/def/a01538_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>79 <p><code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>
80 <div·class="dynheader">80 <div·class="dynheader">
81 Inheritance·diagram·for·BALL::VIEW::PropertyEditor:</div>81 Inheritance·diagram·for·BALL::VIEW::PropertyEditor:</div>
82 <div·class="dyncontent">82 <div·class="dyncontent">
83 ·<div·class="center">83 ·<div·class="center">
84 ··<img·src="../../d9/d20/a08494.png"·usemap="#BALL::VIEW::PropertyEditor_map"·alt=""/>84 ··<img·src="../../d9/d20/a08494.png"·usemap="#BALL::VIEW::PropertyEditor_map"·alt=""/>
85 ··<map·id="BALL::VIEW::PropertyEditor_map"·name="BALL::VIEW::PropertyEditor_map">85 ··<map·id="BALL::VIEW::PropertyEditor_map"·name="BALL::VIEW::PropertyEditor_map">
86 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,168,24"/>86 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,168,24"/>
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150 <tr·class="separator:a570e943f398f8ed10c10ecb9ae9db643"><td·class="memSeparator"·colspan="2">&#160;</td></tr>150 <tr·class="separator:a570e943f398f8ed10c10ecb9ae9db643"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
151 <tr·class="memitem:a24c90825f61945a71bf91b6af7f0067c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d20/a08494.html#a24c90825f61945a71bf91b6af7f0067c">deleteProperty_</a>·(<a·class="el"·href="../../d1/d8b/a08454.html">PropEditorWidget</a>·*editor)</td></tr>151 <tr·class="memitem:a24c90825f61945a71bf91b6af7f0067c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d20/a08494.html#a24c90825f61945a71bf91b6af7f0067c">deleteProperty_</a>·(<a·class="el"·href="../../d1/d8b/a08454.html">PropEditorWidget</a>·*editor)</td></tr>
152 <tr·class="separator:a24c90825f61945a71bf91b6af7f0067c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>152 <tr·class="separator:a24c90825f61945a71bf91b6af7f0067c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
153 </table>153 </table>
154 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>154 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
155 <div·class="textblock"><p·>A·widget·providing·editor·capabilities·for·arbitrary·<a·class="el"·href="../../d3/d67/a03354.html">PropertyManager</a>·objects.·The·widget·provides·a·read-only·mode·as·well·as·controls·to·add,·delete·and·duplicate·properties.·Currently·only·NamedProperties·are·supported.·</p>155 <div·class="textblock"><p·>A·widget·providing·editor·capabilities·for·arbitrary·<a·class="el"·href="../../d3/d67/a03354.html">PropertyManager</a>·objects.·The·widget·provides·a·read-only·mode·as·well·as·controls·to·add,·delete·and·duplicate·properties.·Currently·only·NamedProperties·are·supported.·</p>
  
156 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00281">281</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">propertyEditor.h</a>.</p>156 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00281">281</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
157 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>157 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
158 <a·id="a55ca1d53ebaf5bd1e62819acc533dc10"·name="a55ca1d53ebaf5bd1e62819acc533dc10"></a>158 <a·id="a55ca1d53ebaf5bd1e62819acc533dc10"·name="a55ca1d53ebaf5bd1e62819acc533dc10"></a>
159 <h2·class="memtitle"><span·class="permalink"><a·href="#a55ca1d53ebaf5bd1e62819acc533dc10">&#9670;&nbsp;</a></span>PropertyEditor()·<span·class="overload">[1/2]</span></h2>159 <h2·class="memtitle"><span·class="permalink"><a·href="#a55ca1d53ebaf5bd1e62819acc533dc10">&#9670;&nbsp;</a></span>PropertyEditor()·<span·class="overload">[1/2]</span></h2>
  
160 <div·class="memitem">160 <div·class="memitem">
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8 <title>BALL:·POVRenderer.h·File·Reference</title>8 <title>BALL:·openSavePreferences.h·File·Reference</title>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li><li·class="navelem"><a·class="el"·href="../../dir_63800ef38c29322dc72b2a63f41a2424.html">RENDERERS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">POVRenderer.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">openSavePreferences.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/db6/a01172_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;BALL/VIEW/UIC/ui_openSavePreferences.h&gt;</code><br·/>
 76 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/dbe/a01706_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d7/d02/a01808_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/> 
78 </div>77 </div>
79 <p><a·href="../../d9/d25/a01157_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d9/d25/a01157_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">79 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>81 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d4b/a08270.html">BALL::VIEW::POVRenderer</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6a/a07670.html">BALL::VIEW::OpenSavePreferences</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d43/a08274.html">BALL::VIEW::POVRenderer::POVRendererClippingPlane</a></td></tr> 
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table><table·class="memberdecls">84 </table><table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
89 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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8 <title>BALL:·pair6_12InteractionEnergyProcessor.h·File·Reference</title>8 <title>BALL:·hybridisationProcessor.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">pair6_12InteractionEnergyProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">hybridisationProcessor.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>78 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d7/d62/a01805_source.html">BALL/MATHS/surface.h</a>&gt;</code><br·/>79 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;map&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/ENERGY/energyProcessor.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../dc/df1/a00662_source.html">BALL/STRUCTURE/RDFParameter.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../d5/db3/a01751_source.html">BALL/SOLVATION/pair6_12RDFIntegrator.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;<a·class="el"·href="../../d0/d9d/a01760_source.html">BALL/SOLVATION/solventDescriptor.h</a>&gt;</code><br·/> 
81 </div>81 </div>
82 <p><a·href="../../d9/d27/a01763_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../d9/d27/a01763_source.html">Go·to·the·source·code·of·this·file.</a></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
85 Classes</h2></td></tr>85 Classes</h2></td></tr>
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/db7/a06494.html">BALL::Pair6_12InteractionEnergyProcessor</a></td></tr>86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/deb/a06942.html">BALL::HybridisationProcessor</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/da8/a06498.html">BALL::Pair6_12InteractionEnergyProcessor::Option</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d21/a06946.html">BALL::HybridisationProcessor::Option</a></td></tr>
 89 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d0/d21/a06946.html"·title="Option·names.">Option</a>·names.··<a·href="../../d0/d21/a06946.html#details">More...</a><br·/></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/df5/a06502.html">BALL::Pair6_12InteractionEnergyProcessor::Default</a></td></tr>91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d30/a06950.html">BALL::HybridisationProcessor::Default</a></td></tr>
 92 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d7/d30/a06950.html"·title="Default·values·for·options.">Default</a>·values·for·options.··<a·href="../../d7/d30/a06950.html#details">More...</a><br·/></td></tr>
 93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d1d/a06954.html">BALL::HybridisationProcessor::Method</a></td></tr>
 95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dce/a06958.html">BALL::HybridisationProcessor::Elements_</a></td></tr>
 97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dcb/a06962.html">BALL::HybridisationProcessor::AtomNames_</a></td></tr>
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94 Namespaces</h2></td></tr>102 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>103 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../dd/d99/a07323.html">List·of·all·members</a>··</div>71 <a·href="../../dd/d99/a07323.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::TriangulatedSphere·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TriangulatedSphere·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d7/db1/a00590_source.html">BALL/STRUCTURE/triangulatedSurface.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dc/d71/a01664_source.html">BALL/STRUCTURE/triangulatedSurface.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::TriangulatedSphere:</div>77 Inheritance·diagram·for·BALL::TriangulatedSphere:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d9/d2a/a07326.png"·usemap="#BALL::TriangulatedSphere_map"·alt=""/>80 ··<img·src="../../d9/d2a/a07326.png"·usemap="#BALL::TriangulatedSphere_map"·alt=""/>
81 ··<map·id="BALL::TriangulatedSphere_map"·name="BALL::TriangulatedSphere_map">81 ··<map·id="BALL::TriangulatedSphere_map"·name="BALL::TriangulatedSphere_map">
82 <area·href="../../d5/d6f/a07322.html"·alt="BALL::TriangulatedSurface"·shape="rect"·coords="0,0,164,24"/>82 <area·href="../../d5/d6f/a07322.html"·alt="BALL::TriangulatedSurface"·shape="rect"·coords="0,0,164,24"/>
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240 <tr·class="memitem:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6f/a07322.html#a2b3bca766e09149b94f1e3c0534c125f">density_</a></td></tr>240 <tr·class="memitem:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6f/a07322.html#a2b3bca766e09149b94f1e3c0534c125f">density_</a></td></tr>
241 <tr·class="separator:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"><td·class="memSeparator"·colspan="2">&#160;</td></tr>241 <tr·class="separator:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
242 </table>242 </table>
243 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>243 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
244 <div·class="textblock"><p·>Generic·<a·class="el"·href="../../d9/d2a/a07326.html">TriangulatedSphere</a>·Class.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>244 <div·class="textblock"><p·>Generic·<a·class="el"·href="../../d9/d2a/a07326.html">TriangulatedSphere</a>·Class.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
245 <dl·class="section·user"><dt></dt><dd></dd></dl>245 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
246 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/db1/a00590_source.html#l00387">387</a>·of·file·<a·class="el"·href="../../d7/db1/a00590_source.html">triangulatedSurface.h</a>.</p>246 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d71/a01664_source.html#l00387">387</a>·of·file·<a·class="el"·href="../../dc/d71/a01664_source.html">triangulatedSurface.h</a>.</p>
247 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>247 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
248 <a·id="a46b60ed554a930d3985dc91815e5d2e9"·name="a46b60ed554a930d3985dc91815e5d2e9"></a>248 <a·id="a46b60ed554a930d3985dc91815e5d2e9"·name="a46b60ed554a930d3985dc91815e5d2e9"></a>
249 <h2·class="memtitle"><span·class="permalink"><a·href="#a46b60ed554a930d3985dc91815e5d2e9">&#9670;&nbsp;</a></span>TriangulatedSphere()·<span·class="overload">[1/2]</span></h2>249 <h2·class="memtitle"><span·class="permalink"><a·href="#a46b60ed554a930d3985dc91815e5d2e9">&#9670;&nbsp;</a></span>TriangulatedSphere()·<span·class="overload">[1/2]</span></h2>
  
250 <div·class="memitem">250 <div·class="memitem">
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_46bde4670535f76c6409b9b449574944.html">MINIMIZATION</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
 71 <a·href="#define-members">Macros</a>··</div>
71 ··<div·class="headertitle"><div·class="title">steepestDescent.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">embeddable.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/MOLMEC/MINIMIZATION/energyMinimizer.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d6/d2f/a00854_source.html">BALL/MOLMEC/MINIMIZATION/lineSearch.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;typeinfo&gt;</code><br·/>
76 </div>79 </div>
77 <p><a·href="../../d9/d30/a00848_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../d9/d30/a00848_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">81 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>83 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d56/a05206.html">BALL::SteepestDescentMinimizer</a></td></tr>84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html">BALL::Embeddable</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table><table·class="memberdecls">86 </table><table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
85 Namespaces</h2></td></tr>88 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 91 </table><table·class="memberdecls">
 92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>
 93 Macros</h2></td></tr>
 94 <tr·class="memitem:a3b71888e44546068e37b21d2be0f9e24"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d30/a00848.html#a3b71888e44546068e37b21d2be0f9e24">BALL_EMBEDDABLE</a>(TYPE,··BASE)</td></tr>
 95 <tr·class="separator:a3b71888e44546068e37b21d2be0f9e24"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>96 </table>
 97 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 98 <a·id="a3b71888e44546068e37b21d2be0f9e24"·name="a3b71888e44546068e37b21d2be0f9e24"></a>
 99 <h2·class="memtitle"><span·class="permalink"><a·href="#a3b71888e44546068e37b21d2be0f9e24">&#9670;&nbsp;</a></span>BALL_EMBEDDABLE</h2>
  
 100 <div·class="memitem">
 101 <div·class="memproto">
 102 ······<table·class="memname">
 103 ········<tr>
 104 ··········<td·class="memname">#define·BALL_EMBEDDABLE</td>
 105 ··········<td>(</td>
 106 ··········<td·class="paramtype">&#160;</td>
 107 ··········<td·class="paramname">TYPE,·</td>
 108 ········</tr>
 109 ········<tr>
 110 ··········<td·class="paramkey"></td>
 111 ··········<td></td>
 112 ··········<td·class="paramtype">&#160;</td>
 113 ··········<td·class="paramname">BASE&#160;</td>
 114 ········</tr>
 115 ········<tr>
 116 ··········<td></td>
 117 ··········<td>)</td>
 118 ··········<td></td><td></td>
 119 ········</tr>
 120 ······</table>
 121 </div><div·class="memdoc">
 122 <p·>Embeddable·macro.·This·macro·defines·all·methods·required·for·clases·derived·from·Embeddable.·It·should·be·included·in·the·class·definition·of·each·of·these·classes,·even·for·classes·further·down·in·the·inheritance.·The·argument·ist·just·the·class·type,·e.g.·BALL::ModularWidget.·</p>
  
 123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d30/a00848_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d9/d30/a00848_source.html">embeddable.h</a>.</p>
  
 124 </div>
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89 </div><!--·contents·-->126 </div><!--·contents·-->
90 <!--·start·footer·part·-->127 <!--·start·footer·part·-->
91 <hr·class="footer"/><address·class="footer"><small>128 <hr·class="footer"/><address·class="footer"><small>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_0f44562fa0092558829ef2f34049a706.html">MODELS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">backboneModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">serverPreferences.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d43/a01193_source.html">BALL/VIEW/MODELS/modelProcessor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d9/dd1/a00398_source.html">BALL/KERNEL/secondaryStructure.h</a>&gt;</code><br·/>75 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/>
 76 <code>#include·&lt;QtWidgets/QCheckBox&gt;</code><br·/>
 77 <code>#include·&lt;QtWidgets/QLineEdit&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../dd/d4e/a00329_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/>78 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
78 <code>#include·&lt;<a·class="el"·href="../../d7/d02/a01808_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/> 
79 </div>79 </div>
80 <p><a·href="../../d9/d31/a01208_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../d9/d31/a01208_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls">81 <table·class="memberdecls">
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/df8/a08026.html">BALL::VIEW::AddBackboneModel::ModelPart</a></td></tr> 
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table><table·class="memberdecls">86 </table><table·class="memberdecls">
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90 Namespaces</h2></td></tr>88 Namespaces</h2></td></tr>
91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">shiftModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">featureSelection.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d9d/a00464_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d5e/a00467_source.html">BALL/QSAR/Model.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../df/d98/a00107_source.html">BALL/FORMAT/parameters.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../db/d10/a00350_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d4/d27/a00392_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;set&gt;</code><br·/>
77 </div>78 </div>
78 <p><a·href="../../d9/d34/a00476_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d9/d34/a00476_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">80 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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86 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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93 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.496 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../db/d47/a08103.html">List·of·all·members</a>··</div>71 <a·href="../../db/d47/a08103.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::CustomColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::CustomColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/d35/a01184_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::CustomColorProcessor:</div>77 Inheritance·diagram·for·BALL::VIEW::CustomColorProcessor:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d9/d36/a08106.png"·usemap="#BALL::VIEW::CustomColorProcessor_map"·alt=""/>80 ··<img·src="../../d9/d36/a08106.png"·usemap="#BALL::VIEW::CustomColorProcessor_map"·alt=""/>
81 ··<map·id="BALL::VIEW::CustomColorProcessor_map"·name="BALL::VIEW::CustomColorProcessor_map">81 ··<map·id="BALL::VIEW::CustomColorProcessor_map"·name="BALL::VIEW::CustomColorProcessor_map">
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212 </table>212 </table>
213 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>213 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
214 <div·class="textblock"><p·><a·class="el"·href="../../d9/d36/a08106.html">CustomColorProcessor</a>·colorizes·every·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·with·the·default·color.·</p>214 <div·class="textblock"><p·><a·class="el"·href="../../d9/d36/a08106.html">CustomColorProcessor</a>·colorizes·every·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·with·the·default·color.·</p>
  
215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00418">418</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00418">418</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
216 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>216 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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219 <div·class="memitem">219 <div·class="memitem">
220 <div·class="memproto">220 <div·class="memproto">
221 <table·class="mlabels">221 <table·class="mlabels">
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234 ··</td>234 ··</td>
235 ··<td·class="mlabels-right">235 ··<td·class="mlabels-right">
236 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>236 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
237 ··</tr>237 ··</tr>
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239 </div><div·class="memdoc">239 </div><div·class="memdoc">
  
240 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00425">425</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>240 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00425">425</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
241 </div>241 </div>
242 </div>242 </div>
243 <h2·class="groupheader">Member·Function·Documentation</h2>243 <h2·class="groupheader">Member·Function·Documentation</h2>
244 <a·id="af34c904c043e1c4f2d5494ff4502c11d"·name="af34c904c043e1c4f2d5494ff4502c11d"></a>244 <a·id="af34c904c043e1c4f2d5494ff4502c11d"·name="af34c904c043e1c4f2d5494ff4502c11d"></a>
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265 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>265 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
266 ··</tr>266 ··</tr>
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269 <p>Reimplemented·from·<a·class="el"·href="../../db/d56/a08042.html#a5e98bfa525952c9de1f97d8a3534a381">BALL::VIEW::ColorProcessor</a>.</p>269 <p>Reimplemented·from·<a·class="el"·href="../../db/d56/a08042.html#a5e98bfa525952c9de1f97d8a3534a381">BALL::VIEW::ColorProcessor</a>.</p>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">PCMCavFreeEnergyProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">RSEdge.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d92/a01796_source.html">BALL/STRUCTURE/graphEdge.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/ENERGY/energyProcessor.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../df/da9/a00263_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../db/dc3/a00284_source.html">BALL/MATHS/circle3.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
77 </div>78 </div>
78 <p><a·href="../../d9/d37/a01754_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d9/d37/a01754_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">80 <table·class="memberdecls">
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 94 <tr·class="memitem:ga9cef01da7ca7b8084da90a9cb98d6511"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga9cef01da7ca7b8084da90a9cb98d6511">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·RSEdge·&amp;rsedge)</td></tr>
 95 <tr·class="separator:ga9cef01da7ca7b8084da90a9cb98d6511"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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71 ··<div·class="headertitle"><div·class="title">scoringOptimizer.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">plane3.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;cmath&gt;</code><br·/>
 75 <code>#include·&lt;iostream&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/MATHS/line3.h</a>&gt;</code><br·/>
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/MATHS/common.h</a>&gt;</code><br·/>
75 </div>79 </div>
76 <p><a·href="../../d9/d39/a00257_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../d9/d39/a00257_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">81 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc1/a06186.html">BALL::ScoringOptimizer::Result</a></td></tr> 
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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86 Namespaces</h2></td></tr>88 Namespaces</h2></td></tr>
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88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 94 <tr·class="separator:ga9bf089ae734278ad07a51d6bb26e8926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 96 <tr·class="memitem:ga5fec0b96f2519d2b1f62607835f6038f"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga5fec0b96f2519d2b1f62607835f6038f">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·TPlane3&lt;·T·&gt;·&amp;plane)</td></tr>
 97 <tr·class="separator:ga5fec0b96f2519d2b1f62607835f6038f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 <tr·class="memitem:ga301e0136e191362e320922cb113d9505"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr>
 99 <tr·class="memitem:ga301e0136e191362e320922cb113d9505"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga301e0136e191362e320922cb113d9505">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·TPlane3&lt;·T·&gt;·&amp;plane)</td></tr>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
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68 ··<div·class="summary">68 ··<div·class="summary">
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71 ··<div·class="headertitle"><div·class="title">bindingPocketProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">expressionTree.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/df0/a00557_source.html">BALL/KERNEL/expressionPredicate.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../df/d15/a00416_source.html">BALL/KERNEL/residue.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d1/db0/a01928_source.html">BALL/DATATYPE/hashGrid.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;vector&gt;</code><br·/> 
81 <code>#include·&lt;string&gt;</code><br·/> 
82 <code>#include·&lt;fstream&gt;</code><br·/> 
83 </div>75 </div>
84 <p><a·href="../../d9/d42/a00575_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d9/d42/a00575_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">77 <table·class="memberdecls">
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72 </div><!--header-->69 </div><!--header-->
73 <div·class="contents">70 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d36/a01916_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>71 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d2c/a00764_source.html">BALL/SYSTEM/directory.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a00920_source.html">BALL/MOLMEC/COMMON/snapShot.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/FORMAT/DCDFile.h</a>&gt;</code><br·/>72 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
78 <code>#include·&lt;vector&gt;</code><br·/>73 <code>#include·&lt;<a·class="el"·href="../../d5/de8/a00749_source.html">BALL/SYSTEM/fileSystem.h</a>&gt;</code><br·/>
79 <code>#include·&lt;set&gt;</code><br·/>74 <code>#include·&lt;BALL/SYSTEM/socket.h&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d4/dfa/a00746_source.html">BALL/SYSTEM/timer.h</a>&gt;</code><br·/>
80 </div>76 </div>
81 <p><a·href="../../d9/d44/a00527_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d9/d44/a00527_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls"> 
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
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88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
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73 ··<div·class="headertitle"><div·class="title">BALL::Exception::FileNotFound·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::Exception::FileNotFound·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::Exception::FileNotFound:</div>78 Inheritance·diagram·for·BALL::Exception::FileNotFound:</div>
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82 ··<map·id="BALL::Exception::FileNotFound_map"·name="BALL::Exception::FileNotFound_map">82 ··<map·id="BALL::Exception::FileNotFound_map"·name="BALL::Exception::FileNotFound_map">
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142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p·><a·class="el"·href="../../db/d42/a07350.html">File</a>·not·found.·A·given·file·could·not·be·found.·</p>143 <div·class="textblock"><p·><a·class="el"·href="../../db/d42/a07350.html">File</a>·not·found.·A·given·file·could·not·be·found.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00359">359</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00359">359</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="ac47af12db88ab4fc8058d90ac8d2ffcc"·name="ac47af12db88ab4fc8058d90ac8d2ffcc"></a>146 <a·id="ac47af12db88ab4fc8058d90ac8d2ffcc"·name="ac47af12db88ab4fc8058d90ac8d2ffcc"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#ac47af12db88ab4fc8058d90ac8d2ffcc">&#9670;&nbsp;</a></span>FileNotFound()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#ac47af12db88ab4fc8058d90ac8d2ffcc">&#9670;&nbsp;</a></span>FileNotFound()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
150 ······<table·class="memname">150 ······<table·class="memname">
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236 ··</td>236 ··</td>
237 ··<td·class="mlabels-right">237 ··<td·class="mlabels-right">
238 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>238 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
239 ··</tr>239 ··</tr>
240 </table>240 </table>
241 </div><div·class="memdoc">241 </div><div·class="memdoc">
  
242 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00370">370</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>242 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00370">370</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
  
243 </div>243 </div>
244 </div>244 </div>
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8 <title>BALL:·haighMallionShiftProcessor.h·File·Reference</title>8 <title>BALL:·validation.h·File·Reference</title>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">haighMallionShiftProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">validation.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/def/a00446_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d2/d9d/a00464_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d9/d17/a01937_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;list&gt;</code><br·/>75 <code>#include·&lt;iterator&gt;</code><br·/>
79 </div>76 </div>
80 <p><a·href="../../d9/d4a/a00479_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d9/d4a/a00479_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls">78 <table·class="memberdecls">
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
83 Classes</h2></td></tr>80 Classes</h2></td></tr>
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dca/a05498.html">BALL::HaighMallionShiftProcessor</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8c/a06114.html">BALL::QSAR::Validation</a></td></tr>
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
86 </table><table·class="memberdecls">83 </table><table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
88 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 88 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>
 89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table>90 </table>
92 </div><!--·contents·-->91 </div><!--·contents·-->
93 <!--·start·footer·part·-->92 <!--·start·footer·part·-->
94 <hr·class="footer"/><address·class="footer"><small>93 <hr·class="footer"/><address·class="footer"><small>
95 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.494 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d5/d73/a03203.html">List·of·all·members</a>··</div>70 <a·href="../../d5/d73/a03203.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::AutoDeletable·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::AutoDeletable·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/CONCEPT/autoDeletable.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/CONCEPT/autoDeletable.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::AutoDeletable:</div>76 Inheritance·diagram·for·BALL::AutoDeletable:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d9/d4f/a03206.png"·usemap="#BALL::AutoDeletable_map"·alt=""/>79 ··<img·src="../../d9/d4f/a03206.png"·usemap="#BALL::AutoDeletable_map"·alt=""/>
80 ··<map·id="BALL::AutoDeletable_map"·name="BALL::AutoDeletable_map">80 ··<map·id="BALL::AutoDeletable_map"·name="BALL::AutoDeletable_map">
81 <area·href="../../d5/da8/a03302.html"·alt="BALL::Object"·shape="rect"·coords="115,56,336,80"/>81 <area·href="../../d5/da8/a03302.html"·alt="BALL::Object"·shape="rect"·coords="115,56,336,80"/>
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127 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>127 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
128 <div·class="textblock"><p·>Auto-deletable·concept.·This·class·allows·the·distinction·between·objects·that·may·be·deleted·automatically·(because·they·are·created·dynamically·on·the·heap)·and·instances·that·are·static·and·should·not·be·deleted·automatically.·</p><dl·class="section·user"><dt></dt><dd>Standard·application·is·the·class·<a·class="el"·href="../../d8/deb/a03246.html">Composite·</a>·.·Composites·may·contain·other·composites·(tree-like·structure).·If·a·composite·is·deleted,·it·has·to·decide·whether·all·composites·contained·therein·are·to·be·deleted,·too.·If·these·composites·are·static·objects,·calling·their·destructor·often·is·fatal!·The·same·is·true·for·objects·contained·in·an·array.·Therefore,·composite·is·derived·from·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable·</a>·.·</dd></dl>128 <div·class="textblock"><p·>Auto-deletable·concept.·This·class·allows·the·distinction·between·objects·that·may·be·deleted·automatically·(because·they·are·created·dynamically·on·the·heap)·and·instances·that·are·static·and·should·not·be·deleted·automatically.·</p><dl·class="section·user"><dt></dt><dd>Standard·application·is·the·class·<a·class="el"·href="../../d8/deb/a03246.html">Composite·</a>·.·Composites·may·contain·other·composites·(tree-like·structure).·If·a·composite·is·deleted,·it·has·to·decide·whether·all·composites·contained·therein·are·to·be·deleted,·too.·If·these·composites·are·static·objects,·calling·their·destructor·often·is·fatal!·The·same·is·true·for·objects·contained·in·an·array.·Therefore,·composite·is·derived·from·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable·</a>·.·</dd></dl>
129 <dl·class="section·user"><dt></dt><dd>The·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·class·determines·whether·it·was·instantiated·via·<b>new</b>·and·then·sets·an·internal·flag·to·false.·The·mechanism·to·determine·this·is·as·follows:·</dd></dl>129 <dl·class="section·user"><dt></dt><dd>The·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·class·determines·whether·it·was·instantiated·via·<b>new</b>·and·then·sets·an·internal·flag·to·false.·The·mechanism·to·determine·this·is·as·follows:·</dd></dl>
130 <dl·class="section·user"><dt></dt><dd><a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·has·on·overloaded·new·operator.·When·invoked,·this·operator·allocates·storage·for·an·instance·of·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·using·the·global·new·operator·and·remembers·the·address·of·in·a·private·variable·<b>last_ptr_</b>.·Each·constructor·of·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·checks·whether·its·<b>this</b>·pointer·is·equal·to·the·address·stored·in·<b>last_ptr_</b>.·If·both·pointers·are·equal,·the·object·has·been·created·using·the·new·operator·and·so·it·is·safe·to·delete·it·automatically.·If·the·adresses·do·not·match,·the·object·is·either·part·of·an·array·or·static·and·should·not·be·deleted·automatically.·</dd></dl>130 <dl·class="section·user"><dt></dt><dd><a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·has·on·overloaded·new·operator.·When·invoked,·this·operator·allocates·storage·for·an·instance·of·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·using·the·global·new·operator·and·remembers·the·address·of·in·a·private·variable·<b>last_ptr_</b>.·Each·constructor·of·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·checks·whether·its·<b>this</b>·pointer·is·equal·to·the·address·stored·in·<b>last_ptr_</b>.·If·both·pointers·are·equal,·the·object·has·been·created·using·the·new·operator·and·so·it·is·safe·to·delete·it·automatically.·If·the·adresses·do·not·match,·the·object·is·either·part·of·an·array·or·static·and·should·not·be·deleted·automatically.·</dd></dl>
131 <dl·class="section·user"><dt></dt><dd>The·state·of·each·object·may·be·changed·after·it·is·constructed·by·a·call·to·<a·class="el"·href="../../d9/d4f/a03206.html#a243883209b9742cd43e8527938747e39">setAutoDeletable·</a>·.·This·might·be·useful·to·protect·certain·instances·of·objects,·however·usually·this·should·not·be·neccessary.·</dd></dl>131 <dl·class="section·user"><dt></dt><dd>The·state·of·each·object·may·be·changed·after·it·is·constructed·by·a·call·to·<a·class="el"·href="../../d9/d4f/a03206.html#a243883209b9742cd43e8527938747e39">setAutoDeletable·</a>·.·This·might·be·useful·to·protect·certain·instances·of·objects,·however·usually·this·should·not·be·neccessary.·</dd></dl>
132 <dl·class="section·user"><dt></dt><dd></dd></dl>132 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
133 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dfd/a01610_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../d9/dfd/a01610_source.html">autoDeletable.h</a>.</p>133 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d96/a00782_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../da/d96/a00782_source.html">autoDeletable.h</a>.</p>
134 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>134 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
135 <a·id="aa8188705f71608f89f5a267a2b7e9295"·name="aa8188705f71608f89f5a267a2b7e9295"></a>135 <a·id="aa8188705f71608f89f5a267a2b7e9295"·name="aa8188705f71608f89f5a267a2b7e9295"></a>
136 <h2·class="memtitle"><span·class="permalink"><a·href="#aa8188705f71608f89f5a267a2b7e9295">&#9670;&nbsp;</a></span>~AutoDeletable()</h2>136 <h2·class="memtitle"><span·class="permalink"><a·href="#aa8188705f71608f89f5a267a2b7e9295">&#9670;&nbsp;</a></span>~AutoDeletable()</h2>
  
137 <div·class="memitem">137 <div·class="memitem">
138 <div·class="memproto">138 <div·class="memproto">
139 <table·class="mlabels">139 <table·class="mlabels">
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240 ··</td>240 ··</td>
241 ··<td·class="mlabels-right">241 ··<td·class="mlabels-right">
242 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">static</span></span>··</td>242 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">static</span></span>··</td>
243 ··</tr>243 ··</tr>
244 </table>244 </table>
245 </div><div·class="memdoc">245 </div><div·class="memdoc">
  
246 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dfd/a01610_source.html#l00129">129</a>·of·file·<a·class="el"·href="../../d9/dfd/a01610_source.html">autoDeletable.h</a>.</p>246 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d96/a00782_source.html#l00129">129</a>·of·file·<a·class="el"·href="../../da/d96/a00782_source.html">autoDeletable.h</a>.</p>
  
247 </div>247 </div>
248 </div>248 </div>
249 <a·id="abcdf8033fe271b1b844562155c432da7"·name="abcdf8033fe271b1b844562155c432da7"></a>249 <a·id="abcdf8033fe271b1b844562155c432da7"·name="abcdf8033fe271b1b844562155c432da7"></a>
250 <h2·class="memtitle"><span·class="permalink"><a·href="#abcdf8033fe271b1b844562155c432da7">&#9670;&nbsp;</a></span>isAutoDeletable()</h2>250 <h2·class="memtitle"><span·class="permalink"><a·href="#abcdf8033fe271b1b844562155c432da7">&#9670;&nbsp;</a></span>isAutoDeletable()</h2>
  
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70 <a·href="#pub-slots">Public·Slots</a>·&#124;70 <a·href="#pub-slots">Public·Slots</a>·&#124;
71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="../../d3/da5/a07555.html">List·of·all·members</a>··</div>72 <a·href="../../d3/da5/a07555.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::CompositeProperties·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::CompositeProperties·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../de/d5c/a01358_source.html">BALL/VIEW/DIALOGS/compositeProperties.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d6/dae/a01304_source.html">BALL/VIEW/DIALOGS/compositeProperties.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::CompositeProperties:</div>78 Inheritance·diagram·for·BALL::VIEW::CompositeProperties:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d9/d53/a07558.png"·usemap="#BALL::VIEW::CompositeProperties_map"·alt=""/>81 ··<img·src="../../d9/d53/a07558.png"·usemap="#BALL::VIEW::CompositeProperties_map"·alt=""/>
82 ··<map·id="BALL::VIEW::CompositeProperties_map"·name="BALL::VIEW::CompositeProperties_map">82 ··<map·id="BALL::VIEW::CompositeProperties_map"·name="BALL::VIEW::CompositeProperties_map">
83 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,202,24"/>83 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,202,24"/>
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96 <tr·class="separator:af1f00fdbd11a4807bca9c38111009b74"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:af1f00fdbd11a4807bca9c38111009b74"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 <tr·class="memitem:a07a6ad903c175b4dfec472c171b82eb2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d53/a07558.html#a07a6ad903c175b4dfec472c171b82eb2">~CompositeProperties</a>·()</td></tr>97 <tr·class="memitem:a07a6ad903c175b4dfec472c171b82eb2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d53/a07558.html#a07a6ad903c175b4dfec472c171b82eb2">~CompositeProperties</a>·()</td></tr>
98 <tr·class="separator:a07a6ad903c175b4dfec472c171b82eb2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:a07a6ad903c175b4dfec472c171b82eb2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>99 </table>
100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
101 <div·class="textblock"><p·>Dialog·for·showing·and·changing·the·properties·of·an·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>,·e.g.·an·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·or·a·<a·class="el"·href="../../d9/d73/a04542.html">Molecule</a>.·</p>101 <div·class="textblock"><p·>Dialog·for·showing·and·changing·the·properties·of·an·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>,·e.g.·an·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·or·a·<a·class="el"·href="../../d9/d73/a04542.html">Molecule</a>.·</p>
  
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d5c/a01358_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../de/d5c/a01358_source.html">compositeProperties.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dae/a01304_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d6/dae/a01304_source.html">compositeProperties.h</a>.</p>
103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
104 <a·id="af1f00fdbd11a4807bca9c38111009b74"·name="af1f00fdbd11a4807bca9c38111009b74"></a>104 <a·id="af1f00fdbd11a4807bca9c38111009b74"·name="af1f00fdbd11a4807bca9c38111009b74"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#af1f00fdbd11a4807bca9c38111009b74">&#9670;&nbsp;</a></span>CompositeProperties()</h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#af1f00fdbd11a4807bca9c38111009b74">&#9670;&nbsp;</a></span>CompositeProperties()</h2>
  
106 <div·class="memitem">106 <div·class="memitem">
107 <div·class="memproto">107 <div·class="memproto">
108 ······<table·class="memname">108 ······<table·class="memname">
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72 ··<div·class="headertitle"><div·class="title">BALL::KGreedyBondOrderStrategy::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::KGreedyBondOrderStrategy::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../d9/d58/a06810.html"·title="Option·names.">Option</a>·names.··75 <p><a·class="el"·href="../../d9/d58/a06810.html"·title="Option·names.">Option</a>·names.··
76 ·<a·href="../../d9/d58/a06810.html#details">More...</a></p>76 ·<a·href="../../d9/d58/a06810.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../da/dd1/a00629_source.html">BALL/STRUCTURE/BONDORDERS/KGreedyBondOrderStrategy.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../de/d96/a01685_source.html">BALL/STRUCTURE/BONDORDERS/KGreedyBondOrderStrategy.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
80 Static·Public·Attributes</h2></td></tr>80 Static·Public·Attributes</h2></td></tr>
81 <tr·class="memitem:a0040acb0d00ad0fe1e5b988c905e07b2"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d58/a06810.html#a0040acb0d00ad0fe1e5b988c905e07b2">GREEDY_K_SIZE</a></td></tr>81 <tr·class="memitem:a0040acb0d00ad0fe1e5b988c905e07b2"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d58/a06810.html#a0040acb0d00ad0fe1e5b988c905e07b2">GREEDY_K_SIZE</a></td></tr>
82 <tr·class="separator:a0040acb0d00ad0fe1e5b988c905e07b2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a0040acb0d00ad0fe1e5b988c905e07b2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock"><p·><a·class="el"·href="../../d9/d58/a06810.html"·title="Option·names.">Option</a>·names.·</p>85 <div·class="textblock"><p·><a·class="el"·href="../../d9/d58/a06810.html"·title="Option·names.">Option</a>·names.·</p>
  
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd1/a00629_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../da/dd1/a00629_source.html">KGreedyBondOrderStrategy.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d96/a01685_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../de/d96/a01685_source.html">KGreedyBondOrderStrategy.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="a0040acb0d00ad0fe1e5b988c905e07b2"·name="a0040acb0d00ad0fe1e5b988c905e07b2"></a>88 <a·id="a0040acb0d00ad0fe1e5b988c905e07b2"·name="a0040acb0d00ad0fe1e5b988c905e07b2"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#a0040acb0d00ad0fe1e5b988c905e07b2">&#9670;&nbsp;</a></span>GREEDY_K_SIZE</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#a0040acb0d00ad0fe1e5b988c905e07b2">&#9670;&nbsp;</a></span>GREEDY_K_SIZE</h2>
  
90 <div·class="memitem">90 <div·class="memitem">
91 <div·class="memproto">91 <div·class="memproto">
92 <table·class="mlabels">92 <table·class="mlabels">
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106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
107 ··</tr>107 ··</tr>
108 </table>108 </table>
109 </div><div·class="memdoc">109 </div><div·class="memdoc">
110 <p·>the·size·of·priority·queue·for·the·greedy·algorithm.·<a·class="el"·href="../../d4/d85/a06814.html">Default</a>·is·1.·</p><dl·class="section·see"><dt>See·also</dt><dd>Option::Algorithm::K_GREEDY;·</dd></dl>110 <p·>the·size·of·priority·queue·for·the·greedy·algorithm.·<a·class="el"·href="../../d4/d85/a06814.html">Default</a>·is·1.·</p><dl·class="section·see"><dt>See·also</dt><dd>Option::Algorithm::K_GREEDY;·</dd></dl>
111 <dl·class="section·user"><dt></dt><dd><b>NOTE:</b>·This·option·is·still·experimental.·</dd></dl>111 <dl·class="section·user"><dt></dt><dd><b>NOTE:</b>·This·option·is·still·experimental.·</dd></dl>
  
112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd1/a00629_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../da/dd1/a00629_source.html">KGreedyBondOrderStrategy.h</a>.</p>112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d96/a01685_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../de/d96/a01685_source.html">KGreedyBondOrderStrategy.h</a>.</p>
  
113 </div>113 </div>
114 </div>114 </div>
115 </div><!--·contents·-->115 </div><!--·contents·-->
116 <!--·start·footer·part·-->116 <!--·start·footer·part·-->
117 <hr·class="footer"/><address·class="footer"><small>117 <hr·class="footer"/><address·class="footer"><small>
118 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4118 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d0/d0b/a06107.html">List·of·all·members</a>··</div>70 <a·href="../../d0/d0b/a06107.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::SVRModel·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::SVRModel·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d8/d45/a02021_source.html">BALL/QSAR/svrModel.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/QSAR/svrModel.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::QSAR::SVRModel:</div>76 Inheritance·diagram·for·BALL::QSAR::SVRModel:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d9/d59/a06110.png"·usemap="#BALL::QSAR::SVRModel_map"·alt=""/>79 ··<img·src="../../d9/d59/a06110.png"·usemap="#BALL::QSAR::SVRModel_map"·alt=""/>
80 ··<map·id="BALL::QSAR::SVRModel_map"·name="BALL::QSAR::SVRModel_map">80 ··<map·id="BALL::QSAR::SVRModel_map"·name="BALL::QSAR::SVRModel_map">
81 <area·href="../../db/dd1/a05730.html"·alt="BALL::QSAR::KernelModel"·shape="rect"·coords="0,168,188,192"/>81 <area·href="../../db/dd1/a05730.html"·alt="BALL::QSAR::KernelModel"·shape="rect"·coords="0,168,188,192"/>
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260 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>260 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>
261 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>261 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
262 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>262 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
263 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>263 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
264 </table>264 </table>
265 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>265 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
266 <div·class="textblock">266 <div·class="textblock">
267 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">svrModel.h</a>.</p>267 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">svrModel.h</a>.</p>
268 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>268 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
269 <a·id="a49933f2e3493d8791e190200811f9911"·name="a49933f2e3493d8791e190200811f9911"></a>269 <a·id="a49933f2e3493d8791e190200811f9911"·name="a49933f2e3493d8791e190200811f9911"></a>
270 <h2·class="memtitle"><span·class="permalink"><a·href="#a49933f2e3493d8791e190200811f9911">&#9670;&nbsp;</a></span>SVRModel()</h2>270 <h2·class="memtitle"><span·class="permalink"><a·href="#a49933f2e3493d8791e190200811f9911">&#9670;&nbsp;</a></span>SVRModel()</h2>
  
271 <div·class="memitem">271 <div·class="memitem">
272 <div·class="memproto">272 <div·class="memproto">
273 ······<table·class="memname">273 ······<table·class="memname">
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7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·renderSetup.h·File·Reference</title>8 <title>BALL:·pyWidget.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">renderSetup.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">pyWidget.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d20/a01160_source.html">BALL/VIEW/RENDERING/RENDERERS/glRenderer.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/d65/a01145_source.html">BALL/VIEW/RENDERING/renderTarget.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d0/dc8/a01124_source.html">BALL/VIEW/RENDERING/glRenderWindow.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../de/db5/a01730_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d5/d67/a01070_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../dd/d09/a01118_source.html">BALL/VIEW/WIDGETS/textEditorWidget.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;QtGui/QDragEnterEvent&gt;</code><br·/>
 79 <code>#include·&lt;QtGui/QKeyEvent&gt;</code><br·/>
 80 <code>#include·&lt;QtGui/QDropEvent&gt;</code><br·/>
 81 <code>#include·&lt;QtWidgets/QLineEdit&gt;</code><br·/>
 82 <code>#include·&lt;QtWidgets/QComboBox&gt;</code><br·/>
 83 <code>#include·&lt;QtWidgets/QTabWidget&gt;</code><br·/>
 84 <code>#include·&lt;QtGui/QSyntaxHighlighter&gt;</code><br·/>
 85 <code>#include·&lt;QtGui/QValidator&gt;</code><br·/>
 86 <code>#include·&lt;QtCore/QStringList&gt;</code><br·/>
78 <code>#include·&lt;QtCore/QThread&gt;</code><br·/>87 <code>#include·&lt;QtCore/QThread&gt;</code><br·/>
79 <code>#include·&lt;QtCore/QWaitCondition&gt;</code><br·/> 
80 <code>#include·&lt;boost/enable_shared_from_this.hpp&gt;</code><br·/> 
81 <code>#include·&lt;deque&gt;</code><br·/> 
82 </div>88 </div>
83 <p><a·href="../../d9/d5b/a01127_source.html">Go·to·the·source·code·of·this·file.</a></p>89 <p><a·href="../../d9/d5b/a01127_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">90 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>92 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d14/a08330.html">BALL::VIEW::RenderSetup</a></td></tr>93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/daf/a08498.html">BALL::VIEW::PythonHighlighter</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/df3/a08502.html">BALL::VIEW::PythonValidator</a></td></tr>
 96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d22/a08506.html">BALL::VIEW::RunPythonThread</a></td></tr>
 98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 99 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d3b/a08510.html">BALL::VIEW::Hotkey</a></td></tr>
 100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/ddf/a08334.html">BALL::VIEW::RenderToBufferFinishedEvent</a></td></tr>101 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d7f/a08514.html">BALL::VIEW::PyWidget</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">103 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>104 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
93 Namespaces</h2></td></tr>105 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>106 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>107 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>108 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d5/dd8/a03083.html">List·of·all·members</a>··</div>71 <a·href="../../d5/dd8/a03083.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Exception::IllegalSelfOperation·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::IllegalSelfOperation·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Exception::IllegalSelfOperation:</div>77 Inheritance·diagram·for·BALL::Exception::IllegalSelfOperation:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d9/d5e/a03086.png"·usemap="#BALL::Exception::IllegalSelfOperation_map"·alt=""/>80 ··<img·src="../../d9/d5e/a03086.png"·usemap="#BALL::Exception::IllegalSelfOperation_map"·alt=""/>
81 ··<map·id="BALL::Exception::IllegalSelfOperation_map"·name="BALL::Exception::IllegalSelfOperation_map">81 ··<map·id="BALL::Exception::IllegalSelfOperation_map"·name="BALL::Exception::IllegalSelfOperation_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,221,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,221,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>Illegal·self·operation.·Throw·this·excpetion·to·indicate·an·invalid·operation·on·the·object·itself.·In·general·these·operations·are·self·assignments·or·related·methods.·</p>136 <div·class="textblock"><p·>Illegal·self·operation.·Throw·this·excpetion·to·indicate·an·invalid·operation·on·the·object·itself.·In·general·these·operations·are·self·assignments·or·related·methods.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00247">247</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00247">247</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="ad7637acfda49d4bcb0c8e51c3cd407b6"·name="ad7637acfda49d4bcb0c8e51c3cd407b6"></a>139 <a·id="ad7637acfda49d4bcb0c8e51c3cd407b6"·name="ad7637acfda49d4bcb0c8e51c3cd407b6"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#ad7637acfda49d4bcb0c8e51c3cd407b6">&#9670;&nbsp;</a></span>IllegalSelfOperation()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#ad7637acfda49d4bcb0c8e51c3cd407b6">&#9670;&nbsp;</a></span>IllegalSelfOperation()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
142 <div·class="memproto">142 <div·class="memproto">
143 ······<table·class="memname">143 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../dc/daf/a05399.html">List·of·all·members</a>··</div>71 <a·href="../../dc/daf/a05399.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Potential1210::Data·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Potential1210::Data·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/MOLMEC/PARAMETER/potential1210.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/db1/a00140_source.html">BALL/MOLMEC/PARAMETER/potential1210.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:afeec93db1205891af1a105eac60c4cd3"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d61/a05402.html#afeec93db1205891af1a105eac60c4cd3">atom1</a></td></tr>79 <tr·class="memitem:afeec93db1205891af1a105eac60c4cd3"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d61/a05402.html#afeec93db1205891af1a105eac60c4cd3">atom1</a></td></tr>
80 <tr·class="separator:afeec93db1205891af1a105eac60c4cd3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:afeec93db1205891af1a105eac60c4cd3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a2c82cca9c5c452c79ef12406c331a55b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d61/a05402.html#a2c82cca9c5c452c79ef12406c331a55b">atom2</a></td></tr>81 <tr·class="memitem:a2c82cca9c5c452c79ef12406c331a55b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d61/a05402.html#a2c82cca9c5c452c79ef12406c331a55b">atom2</a></td></tr>
82 <tr·class="separator:a2c82cca9c5c452c79ef12406c331a55b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a2c82cca9c5c452c79ef12406c331a55b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a20f736c35026ccd7975e251c493fe748"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../df/d45/a05398.html">Values</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d61/a05402.html#a20f736c35026ccd7975e251c493fe748">values</a></td></tr>83 <tr·class="memitem:a20f736c35026ccd7975e251c493fe748"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../df/d45/a05398.html">Values</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d61/a05402.html#a20f736c35026ccd7975e251c493fe748">values</a></td></tr>
84 <tr·class="separator:a20f736c35026ccd7975e251c493fe748"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a20f736c35026ccd7975e251c493fe748"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock">87 <div·class="textblock">
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">potential1210.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db1/a00140_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d5/db1/a00140_source.html">potential1210.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="afeec93db1205891af1a105eac60c4cd3"·name="afeec93db1205891af1a105eac60c4cd3"></a>90 <a·id="afeec93db1205891af1a105eac60c4cd3"·name="afeec93db1205891af1a105eac60c4cd3"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#afeec93db1205891af1a105eac60c4cd3">&#9670;&nbsp;</a></span>atom1</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#afeec93db1205891af1a105eac60c4cd3">&#9670;&nbsp;</a></span>atom1</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
93 <div·class="memproto">93 <div·class="memproto">
94 ······<table·class="memname">94 ······<table·class="memname">
95 ········<tr>95 ········<tr>
96 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::Potential1210::Data::atom1</td>96 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::Potential1210::Data::atom1</td>
97 ········</tr>97 ········</tr>
98 ······</table>98 ······</table>
99 </div><div·class="memdoc">99 </div><div·class="memdoc">
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">potential1210.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db1/a00140_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d5/db1/a00140_source.html">potential1210.h</a>.</p>
  
101 </div>101 </div>
102 </div>102 </div>
103 <a·id="a2c82cca9c5c452c79ef12406c331a55b"·name="a2c82cca9c5c452c79ef12406c331a55b"></a>103 <a·id="a2c82cca9c5c452c79ef12406c331a55b"·name="a2c82cca9c5c452c79ef12406c331a55b"></a>
104 <h2·class="memtitle"><span·class="permalink"><a·href="#a2c82cca9c5c452c79ef12406c331a55b">&#9670;&nbsp;</a></span>atom2</h2>104 <h2·class="memtitle"><span·class="permalink"><a·href="#a2c82cca9c5c452c79ef12406c331a55b">&#9670;&nbsp;</a></span>atom2</h2>
  
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113 ········<tr>113 ········<tr>
114 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::Potential1210::Data::atom2</td>114 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::Potential1210::Data::atom2</td>
115 ········</tr>115 ········</tr>
116 ······</table>116 ······</table>
117 </div><div·class="memdoc">117 </div><div·class="memdoc">
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">potential1210.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db1/a00140_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d5/db1/a00140_source.html">potential1210.h</a>.</p>
  
119 </div>119 </div>
120 </div>120 </div>
121 <a·id="a20f736c35026ccd7975e251c493fe748"·name="a20f736c35026ccd7975e251c493fe748"></a>121 <a·id="a20f736c35026ccd7975e251c493fe748"·name="a20f736c35026ccd7975e251c493fe748"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#a20f736c35026ccd7975e251c493fe748">&#9670;&nbsp;</a></span>values</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#a20f736c35026ccd7975e251c493fe748">&#9670;&nbsp;</a></span>values</h2>
  
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129 ········<tr>129 ········<tr>
130 ··········<td·class="memname"><a·class="el"·href="../../df/d45/a05398.html">Values</a>·BALL::Potential1210::Data::values</td>130 ··········<td·class="memname"><a·class="el"·href="../../df/d45/a05398.html">Values</a>·BALL::Potential1210::Data::values</td>
131 ········</tr>131 ········</tr>
132 ······</table>132 ······</table>
133 </div><div·class="memdoc">133 </div><div·class="memdoc">
  
134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">potential1210.h</a>.</p>134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db1/a00140_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d5/db1/a00140_source.html">potential1210.h</a>.</p>
  
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136 </div>136 </div>
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138 <!--·start·footer·part·-->138 <!--·start·footer·part·-->
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="../../d5/d25/a08467.html">List·of·all·members</a>··</div>72 <a·href="../../d5/d25/a08467.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::FloatEditorWidget·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::FloatEditorWidget·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d7/def/a01538_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::FloatEditorWidget:</div>78 Inheritance·diagram·for·BALL::VIEW::FloatEditorWidget:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d9/d62/a08470.png"·usemap="#BALL::VIEW::FloatEditorWidget_map"·alt=""/>81 ··<img·src="../../d9/d62/a08470.png"·usemap="#BALL::VIEW::FloatEditorWidget_map"·alt=""/>
82 ··<map·id="BALL::VIEW::FloatEditorWidget_map"·name="BALL::VIEW::FloatEditorWidget_map">82 ··<map·id="BALL::VIEW::FloatEditorWidget_map"·name="BALL::VIEW::FloatEditorWidget_map">
83 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,185,80"/>83 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,185,80"/>
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137 <tr·class="memitem:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a46403e234f863163cb9af4c8641d036b">name_</a></td></tr>137 <tr·class="memitem:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a46403e234f863163cb9af4c8641d036b">name_</a></td></tr>
138 <tr·class="separator:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>139 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>
140 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock">143 <div·class="textblock">
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00172">172</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">propertyEditor.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00172">172</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="ab775a7f5962f8c9dcb8e2f44e7633c88"·name="ab775a7f5962f8c9dcb8e2f44e7633c88"></a>146 <a·id="ab775a7f5962f8c9dcb8e2f44e7633c88"·name="ab775a7f5962f8c9dcb8e2f44e7633c88"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#ab775a7f5962f8c9dcb8e2f44e7633c88">&#9670;&nbsp;</a></span>FloatEditorWidget()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#ab775a7f5962f8c9dcb8e2f44e7633c88">&#9670;&nbsp;</a></span>FloatEditorWidget()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
150 ······<table·class="memname">150 ······<table·class="memname">
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8 <title>BALL:·kernel.h·File·Reference</title>8 <title>BALL:·triangulatedSES.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
 68 ··<div·class="summary">
 69 <a·href="#nested-classes">Classes</a>·&#124;
 70 <a·href="#namespaces">Namespaces</a>··</div>
68 ··<div·class="headertitle"><div·class="title">kernel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">triangulatedSES.h·File·Reference</div></div>
69 </div><!--header-->72 </div><!--header-->
70 <div·class="contents">73 <div·class="contents">
71 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d7f/a01718_source.html">BALL/STRUCTURE/solventExcludedSurface.h</a>&gt;</code><br·/>
72 <code>#include·&lt;<a·class="el"·href="../../d7/d00/a00401_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/> 
73 <code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d2/d20/a01790_source.html">BALL/STRUCTURE/triangle.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d4/d41/a01661_source.html">BALL/STRUCTURE/triangleEdge.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d7/d62/a01805_source.html">BALL/STRUCTURE/trianglePoint.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../dc/d71/a01664_source.html">BALL/STRUCTURE/triangulatedSurface.h</a>&gt;</code><br·/>
74 <code>#include·&lt;<a·class="el"·href="../../d8/d91/a00410_source.html">BALL/KERNEL/chain.h</a>&gt;</code><br·/>79 <code>#include·&lt;<a·class="el"·href="../../df/da9/a00263_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../de/d34/a20344_source.html">BALL/KERNEL/forEach.h</a>&gt;</code><br·/>80 <code>#include·&lt;<a·class="el"·href="../../db/dc3/a00284_source.html">BALL/MATHS/circle3.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d8/ddd/a00380_source.html">BALL/KERNEL/fragment.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/KERNEL/global.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d5/db5/a00374_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../dd/de2/a00320_source.html">BALL/KERNEL/nucleicAcid.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;<a·class="el"·href="../../dc/d50/a00332_source.html">BALL/KERNEL/nucleotide.h</a>&gt;</code><br·/> 
81 <code>#include·&lt;<a·class="el"·href="../../de/dd7/a00362_source.html">BALL/KERNEL/PDBAtom.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/predicate.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../dd/d4e/a00329_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/>81 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a00293_source.html">BALL/MATHS/sphere3.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d3/d93/a00341_source.html">BALL/KERNEL/PTE.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../df/d15/a00416_source.html">BALL/KERNEL/residue.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../d9/dd1/a00398_source.html">BALL/KERNEL/secondaryStructure.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../d1/d98/a00407_source.html">BALL/KERNEL/selector.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
88 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>83 <code>#include·&lt;list&gt;</code><br·/>
 84 <code>#include·&lt;vector&gt;</code><br·/>
89 </div>85 </div>
90 <p><a·href="../../d9/d63/a01877_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d9/d63/a01877_source.html">Go·to·the·source·code·of·this·file.</a></p>
 87 <table·class="memberdecls">
 88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
 89 Classes</h2></td></tr>
 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/de5/a07314.html">BALL::TriangulatedSES</a></td></tr>
 91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d19/a07318.html">BALL::SESTriangulator</a></td></tr>
 93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 94 </table><table·class="memberdecls">
 95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
 96 Namespaces</h2></td></tr>
 97 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
 98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 99 </table>
91 </div><!--·contents·-->100 </div><!--·contents·-->
92 <!--·start·footer·part·-->101 <!--·start·footer·part·-->
93 <hr·class="footer"/><address·class="footer"><small>102 <hr·class="footer"/><address·class="footer"><small>
94 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d3/da4/a07871.html">List·of·all·members</a>··</div>71 <a·href="../../d3/da4/a07871.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::FinishedSimulationMessage·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::FinishedSimulationMessage·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d39/a01112_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::FinishedSimulationMessage:</div>77 Inheritance·diagram·for·BALL::VIEW::FinishedSimulationMessage:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d9/d64/a07874.png"·usemap="#BALL::VIEW::FinishedSimulationMessage_map"·alt=""/>80 ··<img·src="../../d9/d64/a07874.png"·usemap="#BALL::VIEW::FinishedSimulationMessage_map"·alt=""/>
81 ··<map·id="BALL::VIEW::FinishedSimulationMessage_map"·name="BALL::VIEW::FinishedSimulationMessage_map">81 ··<map·id="BALL::VIEW::FinishedSimulationMessage_map"·name="BALL::VIEW::FinishedSimulationMessage_map">
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104 <tr·class="memitem:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#a87214db6ae48007398e7af3d53608a8f">isDeletable</a>·()·const</td></tr>104 <tr·class="memitem:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#a87214db6ae48007398e7af3d53608a8f">isDeletable</a>·()·const</td></tr>
105 <tr·class="separator:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>105 <tr·class="separator:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
106 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>106 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>
107 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>107 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
108 </table>108 </table>
109 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>109 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
110 <div·class="textblock">110 <div·class="textblock">
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00760">760</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00760">760</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
113 <a·id="a7b05d9adc3408b2a596abd6486f4d233"·name="a7b05d9adc3408b2a596abd6486f4d233"></a>113 <a·id="a7b05d9adc3408b2a596abd6486f4d233"·name="a7b05d9adc3408b2a596abd6486f4d233"></a>
114 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b05d9adc3408b2a596abd6486f4d233">&#9670;&nbsp;</a></span>FinishedSimulationMessage()</h2>114 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b05d9adc3408b2a596abd6486f4d233">&#9670;&nbsp;</a></span>FinishedSimulationMessage()</h2>
  
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../de/de4/a03655.html">List·of·all·members</a>··</div>71 <a·href="../../de/de4/a03655.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::DockResult::Compare_·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::DockResult::Compare_·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d8/deb/a00545_source.html">BALL/DOCKING/COMMON/dockResult.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d29/a01589_source.html">BALL/DOCKING/COMMON/dockResult.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:a032697542d2da778e300d5c35616a42f"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d68/a03658.html#a032697542d2da778e300d5c35616a42f">Compare_</a>·()··throw·()</td></tr>79 <tr·class="memitem:a032697542d2da778e300d5c35616a42f"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d68/a03658.html#a032697542d2da778e300d5c35616a42f">Compare_</a>·()··throw·()</td></tr>
80 <tr·class="separator:a032697542d2da778e300d5c35616a42f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a032697542d2da778e300d5c35616a42f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:aa349ced280678c5201f6baed1cbbee02"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d68/a03658.html#aa349ced280678c5201f6baed1cbbee02">~Compare_</a>·()··throw·()</td></tr>81 <tr·class="memitem:aa349ced280678c5201f6baed1cbbee02"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d68/a03658.html#aa349ced280678c5201f6baed1cbbee02">~Compare_</a>·()··throw·()</td></tr>
82 <tr·class="separator:aa349ced280678c5201f6baed1cbbee02"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:aa349ced280678c5201f6baed1cbbee02"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a1020093a384496b617e7d243504c7105"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d68/a03658.html#a1020093a384496b617e7d243504c7105">operator()</a>·(const·<a·class="el"·href="../../d6/d81/a03630.html#ab1522298103379bd9dda926b719e2f27">ConformationSet::Conformation</a>·&amp;a,·const·<a·class="el"·href="../../d6/d81/a03630.html#ab1522298103379bd9dda926b719e2f27">ConformationSet::Conformation</a>·&amp;b)·const··throw·()</td></tr>83 <tr·class="memitem:a1020093a384496b617e7d243504c7105"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d68/a03658.html#a1020093a384496b617e7d243504c7105">operator()</a>·(const·<a·class="el"·href="../../d6/d81/a03630.html#ab1522298103379bd9dda926b719e2f27">ConformationSet::Conformation</a>·&amp;a,·const·<a·class="el"·href="../../d6/d81/a03630.html#ab1522298103379bd9dda926b719e2f27">ConformationSet::Conformation</a>·&amp;b)·const··throw·()</td></tr>
84 <tr·class="separator:a1020093a384496b617e7d243504c7105"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a1020093a384496b617e7d243504c7105"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock"><p·>Nested·class·in·<a·class="el"·href="../../d9/d3c/a03650.html">DockResult</a>.·This·class·is·needed·for·the·sorting·of·the·vector·of·Conformations·in·<a·class="el"·href="../../d9/d3c/a03650.html#a1d1b52a17842cf7856e9f56ff028aea4">addScoring(const·String&amp;·name,·const·Options&amp;·options,·const·vector·&lt;·ConformationSet::Conformation·&gt;·&amp;·scores)</a>.·The·vector·should·be·sorted·by·the·score·values.·</p>87 <div·class="textblock"><p·>Nested·class·in·<a·class="el"·href="../../d9/d3c/a03650.html">DockResult</a>.·This·class·is·needed·for·the·sorting·of·the·vector·of·Conformations·in·<a·class="el"·href="../../d9/d3c/a03650.html#a1d1b52a17842cf7856e9f56ff028aea4">addScoring(const·String&amp;·name,·const·Options&amp;·options,·const·vector·&lt;·ConformationSet::Conformation·&gt;·&amp;·scores)</a>.·The·vector·should·be·sorted·by·the·score·values.·</p>
  
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/deb/a00545_source.html#l00260">260</a>·of·file·<a·class="el"·href="../../d8/deb/a00545_source.html">dockResult.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d29/a01589_source.html#l00260">260</a>·of·file·<a·class="el"·href="../../d7/d29/a01589_source.html">dockResult.h</a>.</p>
89 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>89 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
90 <a·id="a032697542d2da778e300d5c35616a42f"·name="a032697542d2da778e300d5c35616a42f"></a>90 <a·id="a032697542d2da778e300d5c35616a42f"·name="a032697542d2da778e300d5c35616a42f"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#a032697542d2da778e300d5c35616a42f">&#9670;&nbsp;</a></span>Compare_()</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#a032697542d2da778e300d5c35616a42f">&#9670;&nbsp;</a></span>Compare_()</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
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8 <title>BALL:·stereoSettingsDialog.h·File·Reference</title>8 <title>BALL:·twoColoredTube.h·File·Reference</title>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">stereoSettingsDialog.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">twoColoredTube.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dbe/a01370_source.html">BALL/VIEW/DATATYPE/colorExtensions.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>
76 <code>#include·&lt;BALL/VIEW/UIC/ui_stereoSettingsDialog.h&gt;</code><br·/> 
77 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../de/d5c/a01358_source.html">BALL/VIEW/DATATYPE/vertex2.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;BALL/VIEW/PRIMITIVES/twoColoredTube.iC&gt;</code><br·/>
78 </div>78 </div>
79 <p><a·href="../../d9/d6e/a01409_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d9/d6e/a01409_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">80 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>82 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d4e/a07742.html">BALL::VIEW::StereoSettingsDialog</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/ded/a08214.html">BALL::VIEW::TwoColoredTube</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table><table·class="memberdecls">85 </table><table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
87 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>90 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d5/dd2/a04543.html">List·of·all·members</a>··</div>71 <a·href="../../d5/dd2/a04543.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::MoleculeIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::MoleculeIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d29/a00419_source.html">BALL/KERNEL/moleculeIterator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d2/da3/a00593_source.html">BALL/KERNEL/moleculeIterator.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::MoleculeIteratorTraits:</div>77 Inheritance·diagram·for·BALL::MoleculeIteratorTraits:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d9/d6e/a04546.png"·usemap="#BALL::MoleculeIteratorTraits_map"·alt=""/>80 ··<img·src="../../d9/d6e/a04546.png"·usemap="#BALL::MoleculeIteratorTraits_map"·alt=""/>
81 ··<map·id="BALL::MoleculeIteratorTraits_map"·name="BALL::MoleculeIteratorTraits_map">81 ··<map·id="BALL::MoleculeIteratorTraits_map"·name="BALL::MoleculeIteratorTraits_map">
82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>
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184 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>184 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>
185 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<a·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">More...</a><br·/></td></tr>185 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<a·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">More...</a><br·/></td></tr>
186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
187 </table>187 </table>
188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
189 <div·class="textblock"><p·>MoleculeIteratorTratis_·</p>189 <div·class="textblock"><p·>MoleculeIteratorTratis_·</p>
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">moleculeIterator.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/da3/a00593_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d2/da3/a00593_source.html">moleculeIterator.h</a>.</p>
191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
192 <a·id="a66c02e3932f20e73817d6f2bf2fdeba1"·name="a66c02e3932f20e73817d6f2bf2fdeba1"></a>192 <a·id="a66c02e3932f20e73817d6f2bf2fdeba1"·name="a66c02e3932f20e73817d6f2bf2fdeba1"></a>
193 <h2·class="memtitle"><span·class="permalink"><a·href="#a66c02e3932f20e73817d6f2bf2fdeba1">&#9670;&nbsp;</a></span>MoleculeIteratorTraits()·<span·class="overload">[1/3]</span></h2>193 <h2·class="memtitle"><span·class="permalink"><a·href="#a66c02e3932f20e73817d6f2bf2fdeba1">&#9670;&nbsp;</a></span>MoleculeIteratorTraits()·<span·class="overload">[1/3]</span></h2>
  
194 <div·class="memitem">194 <div·class="memitem">
195 <div·class="memproto">195 <div·class="memproto">
196 <table·class="mlabels">196 <table·class="mlabels">
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209 ··</td>209 ··</td>
210 ··<td·class="mlabels-right">210 ··<td·class="mlabels-right">
211 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>211 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
212 ··</tr>212 ··</tr>
213 </table>213 </table>
214 </div><div·class="memdoc">214 </div><div·class="memdoc">
  
215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">moleculeIterator.h</a>.</p>215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/da3/a00593_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d2/da3/a00593_source.html">moleculeIterator.h</a>.</p>
  
216 </div>216 </div>
217 </div>217 </div>
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219 <h2·class="memtitle"><span·class="permalink"><a·href="#a6c0840c957a2f6e968f1725da6a9aaca">&#9670;&nbsp;</a></span>MoleculeIteratorTraits()·<span·class="overload">[2/3]</span></h2>219 <h2·class="memtitle"><span·class="permalink"><a·href="#a6c0840c957a2f6e968f1725da6a9aaca">&#9670;&nbsp;</a></span>MoleculeIteratorTraits()·<span·class="overload">[2/3]</span></h2>
  
220 <div·class="memitem">220 <div·class="memitem">
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237 ··</td>237 ··</td>
238 ··<td·class="mlabels-right">238 ··<td·class="mlabels-right">
239 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>239 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
240 ··</tr>240 ··</tr>
241 </table>241 </table>
242 </div><div·class="memdoc">242 </div><div·class="memdoc">
  
243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">moleculeIterator.h</a>.</p>243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/da3/a00593_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d2/da3/a00593_source.html">moleculeIterator.h</a>.</p>
  
244 </div>244 </div>
245 </div>245 </div>
246 <a·id="a148239e7226b5624d553564d4a929886"·name="a148239e7226b5624d553564d4a929886"></a>246 <a·id="a148239e7226b5624d553564d4a929886"·name="a148239e7226b5624d553564d4a929886"></a>
247 <h2·class="memtitle"><span·class="permalink"><a·href="#a148239e7226b5624d553564d4a929886">&#9670;&nbsp;</a></span>MoleculeIteratorTraits()·<span·class="overload">[3/3]</span></h2>247 <h2·class="memtitle"><span·class="permalink"><a·href="#a148239e7226b5624d553564d4a929886">&#9670;&nbsp;</a></span>MoleculeIteratorTraits()·<span·class="overload">[3/3]</span></h2>
  
248 <div·class="memitem">248 <div·class="memitem">
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275 ··</td>275 ··</td>
276 ··<td·class="mlabels-right">276 ··<td·class="mlabels-right">
277 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>277 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
278 ··</tr>278 ··</tr>
279 </table>279 </table>
280 </div><div·class="memdoc">280 </div><div·class="memdoc">
  
281 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">moleculeIterator.h</a>.</p>281 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/da3/a00593_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d2/da3/a00593_source.html">moleculeIterator.h</a>.</p>
  
282 </div>282 </div>
283 </div>283 </div>
284 <h2·class="groupheader">Member·Function·Documentation</h2>284 <h2·class="groupheader">Member·Function·Documentation</h2>
285 <a·id="a8a13420d0a33ff9fcbcc8aaf1b6b20d4"·name="a8a13420d0a33ff9fcbcc8aaf1b6b20d4"></a>285 <a·id="a8a13420d0a33ff9fcbcc8aaf1b6b20d4"·name="a8a13420d0a33ff9fcbcc8aaf1b6b20d4"></a>
286 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a13420d0a33ff9fcbcc8aaf1b6b20d4">&#9670;&nbsp;</a></span>operator=()</h2>286 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a13420d0a33ff9fcbcc8aaf1b6b20d4">&#9670;&nbsp;</a></span>operator=()</h2>
  
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304 ··</td>304 ··</td>
305 ··<td·class="mlabels-right">305 ··<td·class="mlabels-right">
306 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>306 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
307 ··</tr>307 ··</tr>
308 </table>308 </table>
309 </div><div·class="memdoc">309 </div><div·class="memdoc">
  
310 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">moleculeIterator.h</a>.</p>310 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/da3/a00593_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d2/da3/a00593_source.html">moleculeIterator.h</a>.</p>
  
311 </div>311 </div>
312 </div>312 </div>
313 <a·id="a279f534b20860b307b7897fe9970f856"·name="a279f534b20860b307b7897fe9970f856"></a>313 <a·id="a279f534b20860b307b7897fe9970f856"·name="a279f534b20860b307b7897fe9970f856"></a>
314 <h2·class="memtitle"><span·class="permalink"><a·href="#a279f534b20860b307b7897fe9970f856">&#9670;&nbsp;</a></span>resetPredicate()</h2>314 <h2·class="memtitle"><span·class="permalink"><a·href="#a279f534b20860b307b7897fe9970f856">&#9670;&nbsp;</a></span>resetPredicate()</h2>
  
315 <div·class="memitem">315 <div·class="memitem">
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331 ··</td>331 ··</td>
332 ··<td·class="mlabels-right">332 ··<td·class="mlabels-right">
333 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>333 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
334 ··</tr>334 ··</tr>
335 </table>335 </table>
336 </div><div·class="memdoc">336 </div><div·class="memdoc">
  
337 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">moleculeIterator.h</a>.</p>337 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/da3/a00593_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../d2/da3/a00593_source.html">moleculeIterator.h</a>.</p>
  
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li><li·class="navelem"><a·class="el"·href="../../dir_63800ef38c29322dc72b2a63f41a2424.html">RENDERERS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d27/a01043_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d4c/a01058_source.html">BALL/VIEW/KERNEL/representation.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../dd/d7e/a00809_source.html">BALL/CONCEPT/object.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/DATATYPE/vertex2.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d2/d41/a01037_source.html">BALL/VIEW/KERNEL/stage.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d9/dd6/a00272_source.html">BALL/MATHS/vector2.h</a>&gt;</code><br·/>
76 </div>78 </div>
77 <p><a·href="../../d9/d6f/a01445_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d9/d6f/a01445_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">80 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>82 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d4c/a08174.html">BALL::VIEW::Line</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d51/a08282.html">BALL::VIEW::Renderer</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
85 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../db/d47/a06387.html">List·of·all·members</a>··</div>72 <a·href="../../db/d47/a06387.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::ForceFieldEvaluation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../de/df6/a02197.html">Docking·of·molecular·structures</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::ForceFieldEvaluation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../de/df6/a02197.html">Docking·of·molecular·structures</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../db/dc3/a00284_source.html">BALL/SCORING/FUNCTIONS/forceFieldEvaluation.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../df/d52/a02027_source.html">BALL/SCORING/FUNCTIONS/forceFieldEvaluation.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::ForceFieldEvaluation:</div>78 Inheritance·diagram·for·BALL::ForceFieldEvaluation:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d9/d71/a06390.png"·usemap="#BALL::ForceFieldEvaluation_map"·alt=""/>81 ··<img·src="../../d9/d71/a06390.png"·usemap="#BALL::ForceFieldEvaluation_map"·alt=""/>
82 ··<map·id="BALL::ForceFieldEvaluation_map"·name="BALL::ForceFieldEvaluation_map">82 ··<map·id="BALL::ForceFieldEvaluation_map"·name="BALL::ForceFieldEvaluation_map">
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125 <tr·class="separator:a4b5d31bdbf9361f9bcd382b67eb47ed8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>125 <tr·class="separator:a4b5d31bdbf9361f9bcd382b67eb47ed8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
126 <tr·class="memitem:ad1e4605c0017cce793fd9463884c5247"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d71/a06390.html#ad1e4605c0017cce793fd9463884c5247">delete_force_field_</a></td></tr>126 <tr·class="memitem:ad1e4605c0017cce793fd9463884c5247"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d71/a06390.html#ad1e4605c0017cce793fd9463884c5247">delete_force_field_</a></td></tr>
127 <tr·class="separator:ad1e4605c0017cce793fd9463884c5247"><td·class="memSeparator"·colspan="2">&#160;</td></tr>127 <tr·class="separator:ad1e4605c0017cce793fd9463884c5247"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
128 </table>128 </table>
129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
130 <div·class="textblock"><p·>Base·class·for·energetic·evaluators·of·docking·results·using·a·force·field·as·scoring·function.·</p>130 <div·class="textblock"><p·>Base·class·for·energetic·evaluators·of·docking·results·using·a·force·field·as·scoring·function.·</p>
  
131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc3/a00284_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../db/dc3/a00284_source.html">forceFieldEvaluation.h</a>.</p>131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d52/a02027_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../df/d52/a02027_source.html">forceFieldEvaluation.h</a>.</p>
132 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>132 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
133 <a·id="a3d8d201e70a570682e588c312080b167"·name="a3d8d201e70a570682e588c312080b167"></a>133 <a·id="a3d8d201e70a570682e588c312080b167"·name="a3d8d201e70a570682e588c312080b167"></a>
134 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d8d201e70a570682e588c312080b167">&#9670;&nbsp;</a></span>ForceFieldEvaluation()·<span·class="overload">[1/2]</span></h2>134 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d8d201e70a570682e588c312080b167">&#9670;&nbsp;</a></span>ForceFieldEvaluation()·<span·class="overload">[1/2]</span></h2>
  
135 <div·class="memitem">135 <div·class="memitem">
136 <div·class="memproto">136 <div·class="memproto">
137 ······<table·class="memname">137 ······<table·class="memname">
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404 ··</td>404 ··</td>
405 ··<td·class="mlabels-right">405 ··<td·class="mlabels-right">
406 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>406 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
407 ··</tr>407 ··</tr>
408 </table>408 </table>
409 </div><div·class="memdoc">409 </div><div·class="memdoc">
  
410 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc3/a00284_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../db/dc3/a00284_source.html">forceFieldEvaluation.h</a>.</p>410 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d52/a02027_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../df/d52/a02027_source.html">forceFieldEvaluation.h</a>.</p>
  
411 </div>411 </div>
412 </div>412 </div>
413 <a·id="a9dda7175aa6a5789933bdd0fc6edc0ba"·name="a9dda7175aa6a5789933bdd0fc6edc0ba"></a>413 <a·id="a9dda7175aa6a5789933bdd0fc6edc0ba"·name="a9dda7175aa6a5789933bdd0fc6edc0ba"></a>
414 <h2·class="memtitle"><span·class="permalink"><a·href="#a9dda7175aa6a5789933bdd0fc6edc0ba">&#9670;&nbsp;</a></span>ff_</h2>414 <h2·class="memtitle"><span·class="permalink"><a·href="#a9dda7175aa6a5789933bdd0fc6edc0ba">&#9670;&nbsp;</a></span>ff_</h2>
  
415 <div·class="memitem">415 <div·class="memitem">
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428 ··</td>428 ··</td>
429 ··<td·class="mlabels-right">429 ··<td·class="mlabels-right">
430 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>430 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
431 ··</tr>431 ··</tr>
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434 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc3/a00284_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../db/dc3/a00284_source.html">forceFieldEvaluation.h</a>.</p>434 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d52/a02027_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../df/d52/a02027_source.html">forceFieldEvaluation.h</a>.</p>
  
435 </div>435 </div>
436 </div>436 </div>
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438 <h2·class="memtitle"><span·class="permalink"><a·href="#a4b5d31bdbf9361f9bcd382b67eb47ed8">&#9670;&nbsp;</a></span>options_</h2>438 <h2·class="memtitle"><span·class="permalink"><a·href="#a4b5d31bdbf9361f9bcd382b67eb47ed8">&#9670;&nbsp;</a></span>options_</h2>
  
439 <div·class="memitem">439 <div·class="memitem">
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452 ··</td>452 ··</td>
453 ··<td·class="mlabels-right">453 ··<td·class="mlabels-right">
454 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>454 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
455 ··</tr>455 ··</tr>
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459 </div>459 </div>
460 </div>460 </div>
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462 <!--·start·footer·part·-->462 <!--·start·footer·part·-->
463 <hr·class="footer"/><address·class="footer"><small>463 <hr·class="footer"/><address·class="footer"><small>
464 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4464 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 <a·href="../../dd/d41/a03079.html">List·of·all·members</a>··</div>72 <a·href="../../dd/d41/a03079.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidFormat·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidFormat·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::Exception::InvalidFormat:</div>78 Inheritance·diagram·for·BALL::Exception::InvalidFormat:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d9/d74/a03082.png"·usemap="#BALL::Exception::InvalidFormat_map"·alt=""/>81 ··<img·src="../../d9/d74/a03082.png"·usemap="#BALL::Exception::InvalidFormat_map"·alt=""/>
82 ··<map·id="BALL::Exception::InvalidFormat_map"·name="BALL::Exception::InvalidFormat_map">82 ··<map·id="BALL::Exception::InvalidFormat_map"·name="BALL::Exception::InvalidFormat_map">
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137 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>137 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
138 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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140 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>140 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
141 <div·class="textblock"><p·>Invalid·format.·This·exception·indicates·a·conversion·problem·when·converting·from·one·type·to·another.·It·is·thrown,·if·a·conversion·from·ascii·to·numeric·formats·or·vice·versa·failed.·</p>141 <div·class="textblock"><p·>Invalid·format.·This·exception·indicates·a·conversion·problem·when·converting·from·one·type·to·another.·It·is·thrown,·if·a·conversion·from·ascii·to·numeric·formats·or·vice·versa·failed.·</p>
  
142 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00229">229</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>142 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00229">229</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
143 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>143 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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145 <h2·class="memtitle"><span·class="permalink"><a·href="#a836400b3d6a43ff6e7a6c9cdc190a581">&#9670;&nbsp;</a></span>InvalidFormat()</h2>145 <h2·class="memtitle"><span·class="permalink"><a·href="#a836400b3d6a43ff6e7a6c9cdc190a581">&#9670;&nbsp;</a></span>InvalidFormat()</h2>
  
146 <div·class="memitem">146 <div·class="memitem">
147 <div·class="memproto">147 <div·class="memproto">
148 ······<table·class="memname">148 ······<table·class="memname">
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216 ··</td>216 ··</td>
217 ··<td·class="mlabels-right">217 ··<td·class="mlabels-right">
218 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>218 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
219 ··</tr>219 ··</tr>
220 </table>220 </table>
221 </div><div·class="memdoc">221 </div><div·class="memdoc">
  
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223 </div>223 </div>
224 </div>224 </div>
225 </div><!--·contents·-->225 </div><!--·contents·-->
226 <!--·start·footer·part·-->226 <!--·start·footer·part·-->
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">object.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">smartsMatcher.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/CONCEPT/autoDeletable.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d21/a01778_source.html">BALL/STRUCTURE/smartsParser.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;vector&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d6/dcf/a01031_source.html">BALL/COMMON/rtti.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d3/deb/a01619_source.html">BALL/CONCEPT/bidirectionalIterator.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;BALL/CONCEPT/object.iC&gt;</code><br·/>76 <code>#include·&lt;set&gt;</code><br·/>
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 78 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/>
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80 <p><a·href="../../d9/d79/a01658_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../d9/d79/a01658_source.html">Go·to·the·source·code·of·this·file.</a></p>
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88 Namespaces</h2></td></tr>97 Namespaces</h2></td></tr>
89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/dad/a01616_source.html">BALL/CONCEPT/embeddable.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;map&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d9/d7d/a01880_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d9/d5b/a01127_source.html">BALL/VIEW/WIDGETS/pyWidget.h</a>&gt;</code><br·/>
78 <code>#include·&lt;QtCore/QObject&gt;</code><br·/>77 <code>#include·&lt;QtWidgets/QTableWidget&gt;</code><br·/>
 78 <code>#include·&lt;QtWidgets/QItemDelegate&gt;</code><br·/>
79 </div>79 </div>
80 <p><a·href="../../d9/d7c/a01073_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../d9/d7c/a01073_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls">81 <table·class="memberdecls">
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de1/a07954.html">BALL::VIEW::ShortcutRegistry</a></td></tr>86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d1b/a08414.html">BALL::VIEW::HotkeyTable</a></td></tr>
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88 Namespaces</h2></td></tr>90 Namespaces</h2></td></tr>
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63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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71 ··<div·class="headertitle"><div·class="title">hashSet.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">numericalSAS.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d7/d59/a01013_source.html">BALL/COMMON/hash.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../dc/d71/a01664_source.html">BALL/CONCEPT/forwardIterator.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d3/d2d/a01625_source.html">BALL/CONCEPT/visitor.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../de/d98/a20341_source.html">BALL/DATATYPE/forEach.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
79 <code>#include·&lt;<a·class="el"·href="../../d3/dbe/a20359_source.html">BALL/CONCEPT/predicate.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../dd/dd7/a00260_source.html">BALL/MATHS/surface.h</a>&gt;</code><br·/>
80 <code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
81 <code>#include·&lt;algorithm&gt;</code><br·/> 
82 </div>78 </div>
83 <p><a·href="../../d9/d7d/a01880_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d9/d7d/a01880_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">80 <table·class="memberdecls">
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88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dab/a03550.html">BALL::HashSet&lt;·Key·&gt;::IllegalKey</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d4e/a06998.html">BALL::NumericalSAS::Default</a></td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d7/de9/a04715.html">List·of·all·members</a>··</div>71 <a·href="../../d7/de9/a04715.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::DoubleBondsPredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::DoubleBondsPredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::DoubleBondsPredicate:</div>77 Inheritance·diagram·for·BALL::DoubleBondsPredicate:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d9/d82/a04718.png"·usemap="#BALL::DoubleBondsPredicate_map"·alt=""/>80 ··<img·src="../../d9/d82/a04718.png"·usemap="#BALL::DoubleBondsPredicate_map"·alt=""/>
81 ··<map·id="BALL::DoubleBondsPredicate_map"·name="BALL::DoubleBondsPredicate_map">81 ··<map·id="BALL::DoubleBondsPredicate_map"·name="BALL::DoubleBondsPredicate_map">
82 <area·href="../../d0/d51/a04710.html"·alt="BALL::NumberOfBondsPredicate"·shape="rect"·coords="0,168,204,192"/>82 <area·href="../../d0/d51/a04710.html"·alt="BALL::NumberOfBondsPredicate"·shape="rect"·coords="0,168,204,192"/>
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128 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>128 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
129 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>129 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
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131 </table>131 </table>
132 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>132 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
133 <div·class="textblock"><p·>Predicate·for·atoms·bearing·double·bonds.·Arguments·of·this·class·are·<b>·required·</b>·to·consist·of·an·relational·operator·and·a·number·between·1·and·8.·</p>133 <div·class="textblock"><p·>Predicate·for·atoms·bearing·double·bonds.·Arguments·of·this·class·are·<b>·required·</b>·to·consist·of·an·relational·operator·and·a·number·between·1·and·8.·</p>
  
134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00396">396</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00396">396</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
135 </div><h2·class="groupheader">Member·Function·Documentation</h2>135 </div><h2·class="groupheader">Member·Function·Documentation</h2>
136 <a·id="a32cf96ade2e10aabb0d2cd277d7f4083"·name="a32cf96ade2e10aabb0d2cd277d7f4083"></a>136 <a·id="a32cf96ade2e10aabb0d2cd277d7f4083"·name="a32cf96ade2e10aabb0d2cd277d7f4083"></a>
137 <h2·class="memtitle"><span·class="permalink"><a·href="#a32cf96ade2e10aabb0d2cd277d7f4083">&#9670;&nbsp;</a></span>operator()()</h2>137 <h2·class="memtitle"><span·class="permalink"><a·href="#a32cf96ade2e10aabb0d2cd277d7f4083">&#9670;&nbsp;</a></span>operator()()</h2>
  
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72 <a·href="../../d4/dd6/a04031.html">List·of·all·members</a>··</div>72 <a·href="../../d4/dd6/a04031.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::NMRStarFile::ShiftReferenceSet·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::NMRStarFile::ShiftReferenceSet·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d1/d44/a00098_source.html">BALL/FORMAT/NMRStarFile.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../db/d40/a00959_source.html">BALL/FORMAT/NMRStarFile.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a4e76526b66cfba481e8f387419d4a188"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d85/a04034.html#a4e76526b66cfba481e8f387419d4a188">ShiftReferenceSet</a>·()</td></tr>80 <tr·class="memitem:a4e76526b66cfba481e8f387419d4a188"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d85/a04034.html#a4e76526b66cfba481e8f387419d4a188">ShiftReferenceSet</a>·()</td></tr>
81 <tr·class="separator:a4e76526b66cfba481e8f387419d4a188"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a4e76526b66cfba481e8f387419d4a188"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:a3de3edaeeb0cbab6578fd8aaacba3d60"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d85/a04034.html#a3de3edaeeb0cbab6578fd8aaacba3d60">operator&gt;&gt;</a>·(std::ostream·&amp;s)</td></tr>82 <tr·class="memitem:a3de3edaeeb0cbab6578fd8aaacba3d60"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d85/a04034.html#a3de3edaeeb0cbab6578fd8aaacba3d60">operator&gt;&gt;</a>·(std::ostream·&amp;s)</td></tr>
83 <tr·class="separator:a3de3edaeeb0cbab6578fd8aaacba3d60"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:a3de3edaeeb0cbab6578fd8aaacba3d60"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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90 <tr·class="memitem:a75442668f47993bdfdbb1b9e9d1db0b5"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../d2/d95/a04030.html">ShiftReferenceElement</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d85/a04034.html#a75442668f47993bdfdbb1b9e9d1db0b5">elements</a></td></tr>90 <tr·class="memitem:a75442668f47993bdfdbb1b9e9d1db0b5"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../d2/d95/a04030.html">ShiftReferenceElement</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d85/a04034.html#a75442668f47993bdfdbb1b9e9d1db0b5">elements</a></td></tr>
91 <tr·class="separator:a75442668f47993bdfdbb1b9e9d1db0b5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a75442668f47993bdfdbb1b9e9d1db0b5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock"><p·><a·class="el"·href="../../d9/d85/a04034.html">ShiftReferenceSet</a>.·This·class·includes·all·information·for·all·sets·of·shift·references·for·several·atom·types·delivered·by·a·NMRStar·file.·All·members·are·public·for·easy·access.·</p>94 <div·class="textblock"><p·><a·class="el"·href="../../d9/d85/a04034.html">ShiftReferenceSet</a>.·This·class·includes·all·information·for·all·sets·of·shift·references·for·several·atom·types·delivered·by·a·NMRStar·file.·All·members·are·public·for·easy·access.·</p>
  
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00221">221</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">NMRStarFile.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d40/a00959_source.html#l00221">221</a>·of·file·<a·class="el"·href="../../db/d40/a00959_source.html">NMRStarFile.h</a>.</p>
96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
97 <a·id="a4e76526b66cfba481e8f387419d4a188"·name="a4e76526b66cfba481e8f387419d4a188"></a>97 <a·id="a4e76526b66cfba481e8f387419d4a188"·name="a4e76526b66cfba481e8f387419d4a188"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a4e76526b66cfba481e8f387419d4a188">&#9670;&nbsp;</a></span>ShiftReferenceSet()</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a4e76526b66cfba481e8f387419d4a188">&#9670;&nbsp;</a></span>ShiftReferenceSet()</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 ······<table·class="memname">101 ······<table·class="memname">
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142 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../d2/d95/a04030.html">ShiftReferenceElement</a>&gt;·BALL::NMRStarFile::ShiftReferenceSet::elements</td>142 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../d2/d95/a04030.html">ShiftReferenceElement</a>&gt;·BALL::NMRStarFile::ShiftReferenceSet::elements</td>
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146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00229">229</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">NMRStarFile.h</a>.</p>146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d40/a00959_source.html#l00229">229</a>·of·file·<a·class="el"·href="../../db/d40/a00959_source.html">NMRStarFile.h</a>.</p>
  
147 </div>147 </div>
148 </div>148 </div>
149 <a·id="ae812fd81bc8abc8ef8ebb44c38eb19ac"·name="ae812fd81bc8abc8ef8ebb44c38eb19ac"></a>149 <a·id="ae812fd81bc8abc8ef8ebb44c38eb19ac"·name="ae812fd81bc8abc8ef8ebb44c38eb19ac"></a>
150 <h2·class="memtitle"><span·class="permalink"><a·href="#ae812fd81bc8abc8ef8ebb44c38eb19ac">&#9670;&nbsp;</a></span>name</h2>150 <h2·class="memtitle"><span·class="permalink"><a·href="#ae812fd81bc8abc8ef8ebb44c38eb19ac">&#9670;&nbsp;</a></span>name</h2>
  
151 <div·class="memitem">151 <div·class="memitem">
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158 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::NMRStarFile::ShiftReferenceSet::name</td>158 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::NMRStarFile::ShiftReferenceSet::name</td>
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160 ······</table>160 ······</table>
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162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00228">228</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">NMRStarFile.h</a>.</p>162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d40/a00959_source.html#l00228">228</a>·of·file·<a·class="el"·href="../../db/d40/a00959_source.html">NMRStarFile.h</a>.</p>
  
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74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
75 <a·href="../../d7/dd6/a08395.html">List·of·all·members</a>··</div>75 <a·href="../../d7/dd6/a08395.html">List·of·all·members</a>··</div>
76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GridColorWidget·Class·Reference</div></div>76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GridColorWidget·Class·Reference</div></div>
77 </div><!--header-->77 </div><!--header-->
78 <div·class="contents">78 <div·class="contents">
  
79 <p><code>#include·&lt;<a·class="el"·href="../../da/daf/a01568_source.html">BALL/VIEW/WIDGETS/gridColorWidget.h</a>&gt;</code></p>79 <p><code>#include·&lt;<a·class="el"·href="../../d2/d4d/a01079_source.html">BALL/VIEW/WIDGETS/gridColorWidget.h</a>&gt;</code></p>
80 <div·class="dynheader">80 <div·class="dynheader">
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83 ·<div·class="center">83 ·<div·class="center">
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85 ··<map·id="BALL::VIEW::GridColorWidget_map"·name="BALL::VIEW::GridColorWidget_map">85 ··<map·id="BALL::VIEW::GridColorWidget_map"·name="BALL::VIEW::GridColorWidget_map">
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170 Protected·Attributes</h2></td></tr>170 Protected·Attributes</h2></td></tr>
171 <tr·class="memitem:a3794016a83455897bd82a03ce2aae4f1"><td·class="memItemLeft"·align="right"·valign="top">Ui::GridColorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d86/a08398.html#a3794016a83455897bd82a03ce2aae4f1">ui</a></td></tr>171 <tr·class="memitem:a3794016a83455897bd82a03ce2aae4f1"><td·class="memItemLeft"·align="right"·valign="top">Ui::GridColorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d86/a08398.html#a3794016a83455897bd82a03ce2aae4f1">ui</a></td></tr>
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173 </table>173 </table>
174 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>174 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
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177 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>177 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
178 <a·id="aacc18408b7caf436ee6edc69b2f69e03"·name="aacc18408b7caf436ee6edc69b2f69e03"></a>178 <a·id="aacc18408b7caf436ee6edc69b2f69e03"·name="aacc18408b7caf436ee6edc69b2f69e03"></a>
179 <h2·class="memtitle"><span·class="permalink"><a·href="#aacc18408b7caf436ee6edc69b2f69e03">&#9670;&nbsp;</a></span>GridColorWidget()</h2>179 <h2·class="memtitle"><span·class="permalink"><a·href="#aacc18408b7caf436ee6edc69b2f69e03">&#9670;&nbsp;</a></span>GridColorWidget()</h2>
  
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930 </div>930 </div>
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124; 
70 <a·href="#namespaces">Namespaces</a>··</div>69 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">receptor.h·File·Reference</div></div>70 ··<div·class="headertitle"><div·class="title">bondIterator.h·File·Reference</div></div>
72 </div><!--header-->71 </div><!--header-->
73 <div·class="contents">72 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d4e/a00329_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/>73 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../de/dd7/a00362_source.html">BALL/KERNEL/PDBAtom.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d9/d7d/a01880_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../dc/df9/a00554_source.html">BALL/DOCKING/COMMON/conformation.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d0/ddb/a00542_source.html">BALL/DOCKING/COMMON/flexibleMolecule.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../da/d7e/a00530_source.html">BALL/DOCKING/COMMON/flexDefinition.h</a>&gt;</code><br·/> 
80 </div>74 </div>
81 <p><a·href="../../d9/d87/a00551_source.html">Go·to·the·source·code·of·this·file.</a></p>75 <p><a·href="../../d9/d87/a00551_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls">76 <table·class="memberdecls">
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 84 <tr><td·colspan="2"><div·class="groupHeader">Typedefs·for·the·various·BondIterators</div></td></tr>
 85 <tr·class="memitem:a8f3171902b9408f5385b8da676f75991"><td·class="memItemLeft"·align="right"·valign="top">typedef·Atom::BondIterator&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a8f3171902b9408f5385b8da676f75991">BALL::AtomBondIterator</a></td></tr>
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 89 <tr·class="memitem:af0ef08b8faeba86a6595a695c3006f6d"><td·class="memItemLeft"·align="right"·valign="top">typedef·Atom::BondReverseIterator&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#af0ef08b8faeba86a6595a695c3006f6d">BALL::AtomBondReverseIterator</a></td></tr>
 90 <tr·class="separator:af0ef08b8faeba86a6595a695c3006f6d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 91 <tr·class="memitem:a1cc4b2df7f7df599ff29bc197ae45320"><td·class="memItemLeft"·align="right"·valign="top">typedef·Atom::BondConstReverseIterator&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a1cc4b2df7f7df599ff29bc197ae45320">BALL::AtomBondConstReverseIterator</a></td></tr>
 92 <tr·class="separator:a1cc4b2df7f7df599ff29bc197ae45320"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>93 </table>
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94 <!--·start·footer·part·-->95 <!--·start·footer·part·-->
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 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d4d/a00620_source.html">BALL/COMMON/debug.h</a>&gt;</code><br·/>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../d5/d48/a03919.html">List·of·all·members</a>··</div>72 <a·href="../../d5/d48/a03919.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::HMOFile::HMOCharge·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::HMOFile::HMOCharge·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d2/d1f/a00083_source.html">BALL/FORMAT/HMOFile.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d7/d12/a00911_source.html">BALL/FORMAT/HMOFile.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:ad9f0201dd7b8860f3926dd4c90d77a2d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d8b/a03922.html#ad9f0201dd7b8860f3926dd4c90d77a2d">operator==</a>·(const·<a·class="el"·href="../../d9/d8b/a03922.html">HMOCharge</a>·&amp;c)·const</td></tr>80 <tr·class="memitem:ad9f0201dd7b8860f3926dd4c90d77a2d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d8b/a03922.html#ad9f0201dd7b8860f3926dd4c90d77a2d">operator==</a>·(const·<a·class="el"·href="../../d9/d8b/a03922.html">HMOCharge</a>·&amp;c)·const</td></tr>
81 <tr·class="separator:ad9f0201dd7b8860f3926dd4c90d77a2d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:ad9f0201dd7b8860f3926dd4c90d77a2d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
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86 <tr·class="memitem:a0fc5ea483bcd855091ebf69ccd70bf54"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d8b/a03922.html#a0fc5ea483bcd855091ebf69ccd70bf54">position</a></td></tr>86 <tr·class="memitem:a0fc5ea483bcd855091ebf69ccd70bf54"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d8b/a03922.html#a0fc5ea483bcd855091ebf69ccd70bf54">position</a></td></tr>
87 <tr·class="separator:a0fc5ea483bcd855091ebf69ccd70bf54"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a0fc5ea483bcd855091ebf69ccd70bf54"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:ab8c266df95538a19c057c8a5b81a7f13"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d8b/a03922.html#ab8c266df95538a19c057c8a5b81a7f13">value</a></td></tr>88 <tr·class="memitem:ab8c266df95538a19c057c8a5b81a7f13"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d8b/a03922.html#ab8c266df95538a19c057c8a5b81a7f13">value</a></td></tr>
89 <tr·class="separator:ab8c266df95538a19c057c8a5b81a7f13"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ab8c266df95538a19c057c8a5b81a7f13"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock">92 <div·class="textblock">
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a00083_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d2/d1f/a00083_source.html">HMOFile.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d12/a00911_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d7/d12/a00911_source.html">HMOFile.h</a>.</p>
94 </div><h2·class="groupheader">Member·Function·Documentation</h2>94 </div><h2·class="groupheader">Member·Function·Documentation</h2>
95 <a·id="ad9f0201dd7b8860f3926dd4c90d77a2d"·name="ad9f0201dd7b8860f3926dd4c90d77a2d"></a>95 <a·id="ad9f0201dd7b8860f3926dd4c90d77a2d"·name="ad9f0201dd7b8860f3926dd4c90d77a2d"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#ad9f0201dd7b8860f3926dd4c90d77a2d">&#9670;&nbsp;</a></span>operator==()</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#ad9f0201dd7b8860f3926dd4c90d77a2d">&#9670;&nbsp;</a></span>operator==()</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 <table·class="mlabels">99 <table·class="mlabels">
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113 ··<td·class="mlabels-right">113 ··<td·class="mlabels-right">
114 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>114 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
115 ··</tr>115 ··</tr>
116 </table>116 </table>
117 </div><div·class="memdoc">117 </div><div·class="memdoc">
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a00083_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d2/d1f/a00083_source.html">HMOFile.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d12/a00911_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d7/d12/a00911_source.html">HMOFile.h</a>.</p>
  
119 </div>119 </div>
120 </div>120 </div>
121 <h2·class="groupheader">Member·Data·Documentation</h2>121 <h2·class="groupheader">Member·Data·Documentation</h2>
122 <a·id="a0fc5ea483bcd855091ebf69ccd70bf54"·name="a0fc5ea483bcd855091ebf69ccd70bf54"></a>122 <a·id="a0fc5ea483bcd855091ebf69ccd70bf54"·name="a0fc5ea483bcd855091ebf69ccd70bf54"></a>
123 <h2·class="memtitle"><span·class="permalink"><a·href="#a0fc5ea483bcd855091ebf69ccd70bf54">&#9670;&nbsp;</a></span>position</h2>123 <h2·class="memtitle"><span·class="permalink"><a·href="#a0fc5ea483bcd855091ebf69ccd70bf54">&#9670;&nbsp;</a></span>position</h2>
  
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130 ········<tr>130 ········<tr>
131 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·BALL::HMOFile::HMOCharge::position</td>131 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·BALL::HMOFile::HMOCharge::position</td>
132 ········</tr>132 ········</tr>
133 ······</table>133 ······</table>
134 </div><div·class="memdoc">134 </div><div·class="memdoc">
  
135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a00083_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d2/d1f/a00083_source.html">HMOFile.h</a>.</p>135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d12/a00911_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d7/d12/a00911_source.html">HMOFile.h</a>.</p>
  
136 </div>136 </div>
137 </div>137 </div>
138 <a·id="ab8c266df95538a19c057c8a5b81a7f13"·name="ab8c266df95538a19c057c8a5b81a7f13"></a>138 <a·id="ab8c266df95538a19c057c8a5b81a7f13"·name="ab8c266df95538a19c057c8a5b81a7f13"></a>
139 <h2·class="memtitle"><span·class="permalink"><a·href="#ab8c266df95538a19c057c8a5b81a7f13">&#9670;&nbsp;</a></span>value</h2>139 <h2·class="memtitle"><span·class="permalink"><a·href="#ab8c266df95538a19c057c8a5b81a7f13">&#9670;&nbsp;</a></span>value</h2>
  
140 <div·class="memitem">140 <div·class="memitem">
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146 ········<tr>146 ········<tr>
147 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::HMOFile::HMOCharge::value</td>147 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::HMOFile::HMOCharge::value</td>
148 ········</tr>148 ········</tr>
149 ······</table>149 ······</table>
150 </div><div·class="memdoc">150 </div><div·class="memdoc">
  
151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a00083_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d2/d1f/a00083_source.html">HMOFile.h</a>.</p>151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d12/a00911_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d7/d12/a00911_source.html">HMOFile.h</a>.</p>
  
152 </div>152 </div>
153 </div>153 </div>
154 </div><!--·contents·-->154 </div><!--·contents·-->
155 <!--·start·footer·part·-->155 <!--·start·footer·part·-->
156 <hr·class="footer"/><address·class="footer"><small>156 <hr·class="footer"/><address·class="footer"><small>
157 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4157 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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87 ········<tr>87 ········<tr>
88 ··········<td·class="memname">typedef·<a·class="el"·href="../../dd/dec/a04786.html">TCircle3</a>&lt;<a·class="el"·href="../../de/ded/a09238.html">float</a>&gt;·<a·class="el"·href="../../df/de9/a02153.html#ga5064f4ce78d2598c86fa41e000f528bc">BALL::Circle3</a></td>88 ··········<td·class="memname">typedef·<a·class="el"·href="../../dd/dec/a04786.html">TCircle3</a>&lt;<a·class="el"·href="../../de/ded/a09238.html">float</a>&gt;·<a·class="el"·href="../../df/de9/a02153.html#ga5064f4ce78d2598c86fa41e000f528bc">BALL::Circle3</a></td>
89 ········</tr>89 ········</tr>
90 ······</table>90 ······</table>
91 </div><div·class="memdoc">91 </div><div·class="memdoc">
92 <p·>needed·for·windows·dlls·Default·three-dimensional·circle·class·of·type·<b>float</b>·</p>92 <p·>needed·for·windows·dlls·Default·three-dimensional·circle·class·of·type·<b>float</b>·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d8b/a01871_source.html#l00301">301</a>·of·file·<a·class="el"·href="../../da/d8b/a01871_source.html">circle3.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc3/a00284_source.html#l00301">301</a>·of·file·<a·class="el"·href="../../db/dc3/a00284_source.html">circle3.h</a>.</p>
  
94 </div>94 </div>
95 </div>95 </div>
96 <h2·class="groupheader">Function·Documentation</h2>96 <h2·class="groupheader">Function·Documentation</h2>
97 <a·id="ga8a53e5e9e51c1b15f3d5ee0a14a95077"·name="ga8a53e5e9e51c1b15f3d5ee0a14a95077"></a>97 <a·id="ga8a53e5e9e51c1b15f3d5ee0a14a95077"·name="ga8a53e5e9e51c1b15f3d5ee0a14a95077"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#ga8a53e5e9e51c1b15f3d5ee0a14a95077">&#9670;&nbsp;</a></span>operator&lt;&lt;()</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#ga8a53e5e9e51c1b15f3d5ee0a14a95077">&#9670;&nbsp;</a></span>operator&lt;&lt;()</h2>
  
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124 ······</table>124 ······</table>
125 </div><div·class="memdoc">125 </div><div·class="memdoc">
126 <p·>Output·Operator.·Writes·the·values·of·<code>p</code>,·<code>n</code>,·and·<code>radius</code>·to·an·output·stream.·The·three·values·are·separated·by·spaces·and·enclosed·in·brackets.·</p><dl·class="section·user"><dt></dt><dd><b>Example:</b>·</dd></dl>126 <p·>Output·Operator.·Writes·the·values·of·<code>p</code>,·<code>n</code>,·and·<code>radius</code>·to·an·output·stream.·The·three·values·are·separated·by·spaces·and·enclosed·in·brackets.·</p><dl·class="section·user"><dt></dt><dd><b>Example:</b>·</dd></dl>
127 <dl·class="section·user"><dt></dt><dd><code>((0·0·0)·(1·2·1)·3.5)</code>·</dd></dl>127 <dl·class="section·user"><dt></dt><dd><code>((0·0·0)·(1·2·1)·3.5)</code>·</dd></dl>
128 <dl·class="section·see"><dt>See·also</dt><dd>TVector3::operator&lt;&lt;·</dd></dl>128 <dl·class="section·see"><dt>See·also</dt><dd>TVector3::operator&lt;&lt;·</dd></dl>
  
129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d8b/a01871_source.html#l00324">324</a>·of·file·<a·class="el"·href="../../da/d8b/a01871_source.html">circle3.h</a>.</p>129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc3/a00284_source.html#l00324">324</a>·of·file·<a·class="el"·href="../../db/dc3/a00284_source.html">circle3.h</a>.</p>
  
130 </div>130 </div>
131 </div>131 </div>
132 <a·id="gae118e927880e9b77d6db7f90481c4b78"·name="gae118e927880e9b77d6db7f90481c4b78"></a>132 <a·id="gae118e927880e9b77d6db7f90481c4b78"·name="gae118e927880e9b77d6db7f90481c4b78"></a>
133 <h2·class="memtitle"><span·class="permalink"><a·href="#gae118e927880e9b77d6db7f90481c4b78">&#9670;&nbsp;</a></span>operator&gt;&gt;()</h2>133 <h2·class="memtitle"><span·class="permalink"><a·href="#gae118e927880e9b77d6db7f90481c4b78">&#9670;&nbsp;</a></span>operator&gt;&gt;()</h2>
  
134 <div·class="memitem">134 <div·class="memitem">
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158 ········</tr>158 ········</tr>
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160 </div><div·class="memdoc">160 </div><div·class="memdoc">
161 <p·>Input·operator.·Reads·in·two·<a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>·and·a·<b>T</b>·value:·p,·n,·radius·</p>161 <p·>Input·operator.·Reads·in·two·<a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>·and·a·<b>T</b>·value:·p,·n,·radius·</p>
  
162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d8b/a01871_source.html#l00307">307</a>·of·file·<a·class="el"·href="../../da/d8b/a01871_source.html">circle3.h</a>.</p>162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc3/a00284_source.html#l00307">307</a>·of·file·<a·class="el"·href="../../db/dc3/a00284_source.html">circle3.h</a>.</p>
  
163 </div>163 </div>
164 </div>164 </div>
165 </div><!--·contents·-->165 </div><!--·contents·-->
166 <!--·start·footer·part·-->166 <!--·start·footer·part·-->
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168 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4168 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d8/d3a/a04439.html">List·of·all·members</a>··</div>70 <a·href="../../d8/d3a/a04439.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::SDFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::SDFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../dc/dee/a00053_source.html">BALL/FORMAT/SDFile.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d3/db2/a00869_source.html">BALL/FORMAT/SDFile.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::SDFile:</div>76 Inheritance·diagram·for·BALL::SDFile:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d9/d8d/a04442.png"·usemap="#BALL::SDFile_map"·alt=""/>79 ··<img·src="../../d9/d8d/a04442.png"·usemap="#BALL::SDFile_map"·alt=""/>
80 ··<map·id="BALL::SDFile_map"·name="BALL::SDFile_map">80 ··<map·id="BALL::SDFile_map"·name="BALL::SDFile_map">
81 <area·href="../../d8/d56/a03982.html"·alt="BALL::MOLFile"·shape="rect"·coords="90,504,260,528"/>81 <area·href="../../d8/d56/a03982.html"·alt="BALL::MOLFile"·shape="rect"·coords="90,504,260,528"/>
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439 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>439 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
440 </table>440 </table>
441 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>441 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
442 <div·class="textblock"><p·>MDL·SD·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·MDL·SD·files.·</p><dl·class="section·user"><dt></dt><dd>A·description·of·this·file·format·(and·the·related·<a·class="el"·href="../../d8/d56/a03982.html">MOLFile·</a>·<br··/>442 <div·class="textblock"><p·>MDL·SD·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·MDL·SD·files.·</p><dl·class="section·user"><dt></dt><dd>A·description·of·this·file·format·(and·the·related·<a·class="el"·href="../../d8/d56/a03982.html">MOLFile·</a>·<br··/>
443 ·format)·can·be·obtained·from·the·MDL·webpage·<a·href="http://www.mdli.com">http://www.mdli.com</a>·</dd></dl>443 ·format)·can·be·obtained·from·the·MDL·webpage·<a·href="http://www.mdli.com">http://www.mdli.com</a>·</dd></dl>
444 <dl·class="section·user"><dt></dt><dd></dd></dl>444 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
445 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a00053_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../dc/dee/a00053_source.html">SDFile.h</a>.</p>445 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/db2/a00869_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d3/db2/a00869_source.html">SDFile.h</a>.</p>
446 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>446 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
447 <a·id="a17c558b7f182dd45465deca3ae5d8968"·name="a17c558b7f182dd45465deca3ae5d8968"></a>447 <a·id="a17c558b7f182dd45465deca3ae5d8968"·name="a17c558b7f182dd45465deca3ae5d8968"></a>
448 <h2·class="memtitle"><span·class="permalink"><a·href="#a17c558b7f182dd45465deca3ae5d8968">&#9670;&nbsp;</a></span>SDFile()·<span·class="overload">[1/2]</span></h2>448 <h2·class="memtitle"><span·class="permalink"><a·href="#a17c558b7f182dd45465deca3ae5d8968">&#9670;&nbsp;</a></span>SDFile()·<span·class="overload">[1/2]</span></h2>
  
449 <div·class="memitem">449 <div·class="memitem">
450 <div·class="memproto">450 <div·class="memproto">
451 ······<table·class="memname">451 ······<table·class="memname">
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805 ··<td·class="mlabels-right">805 ··<td·class="mlabels-right">
806 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>806 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
807 ··</tr>807 ··</tr>
808 </table>808 </table>
809 </div><div·class="memdoc">809 </div><div·class="memdoc">
810 <p·>Whether·atoms·and·bonds·should·be·read·</p>810 <p·>Whether·atoms·and·bonds·should·be·read·</p>
  
811 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a00053_source.html#l00117">117</a>·of·file·<a·class="el"·href="../../dc/dee/a00053_source.html">SDFile.h</a>.</p>811 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/db2/a00869_source.html#l00117">117</a>·of·file·<a·class="el"·href="../../d3/db2/a00869_source.html">SDFile.h</a>.</p>
  
812 </div>812 </div>
813 </div>813 </div>
814 </div><!--·contents·-->814 </div><!--·contents·-->
815 <!--·start·footer·part·-->815 <!--·start·footer·part·-->
816 <hr·class="footer"/><address·class="footer"><small>816 <hr·class="footer"/><address·class="footer"><small>
817 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4817 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../dc/d84/a08371.html">List·of·all·members</a>··</div>70 <a·href="../../dc/d84/a08371.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockingController·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/deb/a02214.html">Modular·Widgets</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockingController·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/deb/a02214.html">Modular·Widgets</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../da/ded/a01547_source.html">BALL/VIEW/WIDGETS/dockingController.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d9/d10/a01103_source.html">BALL/VIEW/WIDGETS/dockingController.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::DockingController:</div>76 Inheritance·diagram·for·BALL::VIEW::DockingController:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d9/d8d/a08374.png"·usemap="#BALL::VIEW::DockingController_map"·alt=""/>79 ··<img·src="../../d9/d8d/a08374.png"·usemap="#BALL::VIEW::DockingController_map"·alt=""/>
80 ··<map·id="BALL::VIEW::DockingController_map"·name="BALL::VIEW::DockingController_map">80 ··<map·id="BALL::VIEW::DockingController_map"·name="BALL::VIEW::DockingController_map">
81 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,56,188,80"/>81 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,56,188,80"/>
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264 <tr·class="separator:a97ee3765672911ceedd08fbc4ced37ab·inherit·pro_attribs_a07922"><td·class="memSeparator"·colspan="2">&#160;</td></tr>264 <tr·class="separator:a97ee3765672911ceedd08fbc4ced37ab·inherit·pro_attribs_a07922"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
265 <tr·class="memitem:a52952722d0450408e058bdd3234adeb3·inherit·pro_attribs_a07922"><td·class="memItemLeft"·align="right"·valign="top">QList&lt;·QAction·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d8a/a07922.html#a52952722d0450408e058bdd3234adeb3">main_toolbar_actions_</a></td></tr>265 <tr·class="memitem:a52952722d0450408e058bdd3234adeb3·inherit·pro_attribs_a07922"><td·class="memItemLeft"·align="right"·valign="top">QList&lt;·QAction·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d8a/a07922.html#a52952722d0450408e058bdd3234adeb3">main_toolbar_actions_</a></td></tr>
266 <tr·class="separator:a52952722d0450408e058bdd3234adeb3·inherit·pro_attribs_a07922"><td·class="memSeparator"·colspan="2">&#160;</td></tr>266 <tr·class="separator:a52952722d0450408e058bdd3234adeb3·inherit·pro_attribs_a07922"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
267 </table>267 </table>
268 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>268 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
269 <div·class="textblock"><p·>Class·for·docking·two·systems.·It·is·responsible·to·show·the·docking·dialog·and·start·a·docking·caluclation·with·the·options·of·the·dialog.·If·BALLView·was·compiled·with·multithreading·support·it·simultaneously·shows·the·progress·dialog.·Finally·it·shows·the·result·dialog.·</p>269 <div·class="textblock"><p·>Class·for·docking·two·systems.·It·is·responsible·to·show·the·docking·dialog·and·start·a·docking·caluclation·with·the·options·of·the·dialog.·If·BALLView·was·compiled·with·multithreading·support·it·simultaneously·shows·the·progress·dialog.·Finally·it·shows·the·result·dialog.·</p>
  
270 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/ded/a01547_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../da/ded/a01547_source.html">dockingController.h</a>.</p>270 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d10/a01103_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d9/d10/a01103_source.html">dockingController.h</a>.</p>
271 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>271 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
272 <a·id="a33b8627c565a384405231be38fc51bfb"·name="a33b8627c565a384405231be38fc51bfb"></a>272 <a·id="a33b8627c565a384405231be38fc51bfb"·name="a33b8627c565a384405231be38fc51bfb"></a>
273 <h2·class="memtitle"><span·class="permalink"><a·href="#a33b8627c565a384405231be38fc51bfb">&#9670;&nbsp;</a></span>Algorithm</h2>273 <h2·class="memtitle"><span·class="permalink"><a·href="#a33b8627c565a384405231be38fc51bfb">&#9670;&nbsp;</a></span>Algorithm</h2>
  
274 <div·class="memitem">274 <div·class="memitem">
275 <div·class="memproto">275 <div·class="memproto">
276 ······<table·class="memname">276 ······<table·class="memname">
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282 ······</table>282 ······</table>
283 </div><div·class="memdoc">283 </div><div·class="memdoc">
284 <p·>Enumeration·which·contains·the·docking·algorithms.·The·numbering·corresponds·to·the·order·in·the·combobox·of·<a·class="el"·href="../../">dock_dialog_·</a>.·If·you·want·to·add·a·new·docking·algorithm·extend·enumeration·(0·corresponds·to·&lt;select&gt;·item·in·ComboBox)·</p>284 <p·>Enumeration·which·contains·the·docking·algorithms.·The·numbering·corresponds·to·the·order·in·the·combobox·of·<a·class="el"·href="../../">dock_dialog_·</a>.·If·you·want·to·add·a·new·docking·algorithm·extend·enumeration·(0·corresponds·to·&lt;select&gt;·item·in·ComboBox)·</p>
285 <table·class="fieldtable">285 <table·class="fieldtable">
286 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a33b8627c565a384405231be38fc51bfba8d37b37c8b5ac75f0ef7479cdba8edd6"·name="a33b8627c565a384405231be38fc51bfba8d37b37c8b5ac75f0ef7479cdba8edd6"></a>GEOMETRIC_FIT&#160;</td><td·class="fielddoc"></td></tr>286 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a33b8627c565a384405231be38fc51bfba8d37b37c8b5ac75f0ef7479cdba8edd6"·name="a33b8627c565a384405231be38fc51bfba8d37b37c8b5ac75f0ef7479cdba8edd6"></a>GEOMETRIC_FIT&#160;</td><td·class="fielddoc"></td></tr>
287 </table>287 </table>
  
288 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/ded/a01547_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../da/ded/a01547_source.html">dockingController.h</a>.</p>288 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d10/a01103_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../d9/d10/a01103_source.html">dockingController.h</a>.</p>
  
289 </div>289 </div>
290 </div>290 </div>
291 <a·id="a8858fc70fcf38013fe18fb49b1d90197"·name="a8858fc70fcf38013fe18fb49b1d90197"></a>291 <a·id="a8858fc70fcf38013fe18fb49b1d90197"·name="a8858fc70fcf38013fe18fb49b1d90197"></a>
292 <h2·class="memtitle"><span·class="permalink"><a·href="#a8858fc70fcf38013fe18fb49b1d90197">&#9670;&nbsp;</a></span>ScoringFunction</h2>292 <h2·class="memtitle"><span·class="permalink"><a·href="#a8858fc70fcf38013fe18fb49b1d90197">&#9670;&nbsp;</a></span>ScoringFunction</h2>
  
293 <div·class="memitem">293 <div·class="memitem">
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306 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a8858fc70fcf38013fe18fb49b1d90197acb431556e07a9a23969357a6025ac54e"·name="a8858fc70fcf38013fe18fb49b1d90197acb431556e07a9a23969357a6025ac54e"></a>DEFAULT&#160;</td><td·class="fielddoc"></td></tr>306 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a8858fc70fcf38013fe18fb49b1d90197acb431556e07a9a23969357a6025ac54e"·name="a8858fc70fcf38013fe18fb49b1d90197acb431556e07a9a23969357a6025ac54e"></a>DEFAULT&#160;</td><td·class="fielddoc"></td></tr>
307 <tr><td·class="fieldname"><a·id="a8858fc70fcf38013fe18fb49b1d90197a9c925d0431a53620193b4bd327cbdd58"·name="a8858fc70fcf38013fe18fb49b1d90197a9c925d0431a53620193b4bd327cbdd58"></a>AMBER_FF&#160;</td><td·class="fielddoc"></td></tr>307 <tr><td·class="fieldname"><a·id="a8858fc70fcf38013fe18fb49b1d90197a9c925d0431a53620193b4bd327cbdd58"·name="a8858fc70fcf38013fe18fb49b1d90197a9c925d0431a53620193b4bd327cbdd58"></a>AMBER_FF&#160;</td><td·class="fielddoc"></td></tr>
308 <tr><td·class="fieldname"><a·id="a8858fc70fcf38013fe18fb49b1d90197a7c85e43bc1da8ff41b543e627928df9c"·name="a8858fc70fcf38013fe18fb49b1d90197a7c85e43bc1da8ff41b543e627928df9c"></a>MMFF94_FF&#160;</td><td·class="fielddoc"></td></tr>308 <tr><td·class="fieldname"><a·id="a8858fc70fcf38013fe18fb49b1d90197a7c85e43bc1da8ff41b543e627928df9c"·name="a8858fc70fcf38013fe18fb49b1d90197a7c85e43bc1da8ff41b543e627928df9c"></a>MMFF94_FF&#160;</td><td·class="fielddoc"></td></tr>
309 <tr><td·class="fieldname"><a·id="a8858fc70fcf38013fe18fb49b1d90197a0b97062fd2352130c7b97aba8e38aa21"·name="a8858fc70fcf38013fe18fb49b1d90197a0b97062fd2352130c7b97aba8e38aa21"></a>SELECTED_FF&#160;</td><td·class="fielddoc"></td></tr>309 <tr><td·class="fieldname"><a·id="a8858fc70fcf38013fe18fb49b1d90197a0b97062fd2352130c7b97aba8e38aa21"·name="a8858fc70fcf38013fe18fb49b1d90197a0b97062fd2352130c7b97aba8e38aa21"></a>SELECTED_FF&#160;</td><td·class="fielddoc"></td></tr>
310 <tr><td·class="fieldname"><a·id="a8858fc70fcf38013fe18fb49b1d90197a0fabafd3e9589fa1993e57da829a4e5b"·name="a8858fc70fcf38013fe18fb49b1d90197a0fabafd3e9589fa1993e57da829a4e5b"></a>RANDOM&#160;</td><td·class="fielddoc"></td></tr>310 <tr><td·class="fieldname"><a·id="a8858fc70fcf38013fe18fb49b1d90197a0fabafd3e9589fa1993e57da829a4e5b"·name="a8858fc70fcf38013fe18fb49b1d90197a0fabafd3e9589fa1993e57da829a4e5b"></a>RANDOM&#160;</td><td·class="fielddoc"></td></tr>
311 </table>311 </table>
  
312 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/ded/a01547_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../da/ded/a01547_source.html">dockingController.h</a>.</p>312 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d10/a01103_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../d9/d10/a01103_source.html">dockingController.h</a>.</p>
  
313 </div>313 </div>
314 </div>314 </div>
315 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>315 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
316 <a·id="ac0d9c01c29567ac5b5982301cb812c04"·name="ac0d9c01c29567ac5b5982301cb812c04"></a>316 <a·id="ac0d9c01c29567ac5b5982301cb812c04"·name="ac0d9c01c29567ac5b5982301cb812c04"></a>
317 <h2·class="memtitle"><span·class="permalink"><a·href="#ac0d9c01c29567ac5b5982301cb812c04">&#9670;&nbsp;</a></span>DockingController()</h2>317 <h2·class="memtitle"><span·class="permalink"><a·href="#ac0d9c01c29567ac5b5982301cb812c04">&#9670;&nbsp;</a></span>DockingController()</h2>
  
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d2/d57/a07027.html">List·of·all·members</a>··</div>70 <a·href="../../d2/d57/a07027.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::RDFIntegrator·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/dc3/a02190.html">Radial·Distribution·Functions</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::RDFIntegrator·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/dc3/a02190.html">Radial·Distribution·Functions</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d8/d13/a00671_source.html">BALL/STRUCTURE/RDFIntegrator.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d6/dfc/a01814_source.html">BALL/STRUCTURE/RDFIntegrator.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::RDFIntegrator:</div>76 Inheritance·diagram·for·BALL::RDFIntegrator:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d9/d92/a07030.png"·usemap="#BALL::RDFIntegrator_map"·alt=""/>79 ··<img·src="../../d9/d92/a07030.png"·usemap="#BALL::RDFIntegrator_map"·alt=""/>
80 ··<map·id="BALL::RDFIntegrator_map"·name="BALL::RDFIntegrator_map">80 ··<map·id="BALL::RDFIntegrator_map"·name="BALL::RDFIntegrator_map">
81 <area·href="../../dc/dc0/a06506.html"·alt="BALL::Pair6_12RDFIntegrator"·shape="rect"·coords="0,56,179,80"/>81 <area·href="../../dc/dc0/a06506.html"·alt="BALL::Pair6_12RDFIntegrator"·shape="rect"·coords="0,56,179,80"/>
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117 <tr·class="separator:aabdff1634beca722d419e589eada4910"><td·class="memSeparator"·colspan="2">&#160;</td></tr>117 <tr·class="separator:aabdff1634beca722d419e589eada4910"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
118 <tr·class="memitem:a41ab1cc48b94f24f294a7a340a8004ce"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d92/a07030.html#a41ab1cc48b94f24f294a7a340a8004ce">operator()</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·x)·const</td></tr>118 <tr·class="memitem:a41ab1cc48b94f24f294a7a340a8004ce"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d92/a07030.html#a41ab1cc48b94f24f294a7a340a8004ce">operator()</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·x)·const</td></tr>
119 <tr·class="separator:a41ab1cc48b94f24f294a7a340a8004ce"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a41ab1cc48b94f24f294a7a340a8004ce"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Integrator·class·for·radial·distribution·functions.·This·class·provides·the·integration·functionality·needed·for·the·computation·of·interaction·energies.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>122 <div·class="textblock"><p·>Integrator·class·for·radial·distribution·functions.·This·class·provides·the·integration·functionality·needed·for·the·computation·of·interaction·energies.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d13/a00671_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d8/d13/a00671_source.html">RDFIntegrator.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfc/a01814_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d6/dfc/a01814_source.html">RDFIntegrator.h</a>.</p>
124 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>124 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
125 <a·id="a82da50fda5fcbb763011d2a216678560"·name="a82da50fda5fcbb763011d2a216678560"></a>125 <a·id="a82da50fda5fcbb763011d2a216678560"·name="a82da50fda5fcbb763011d2a216678560"></a>
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127 <div·class="memitem">127 <div·class="memitem">
128 <div·class="memproto">128 <div·class="memproto">
129 ······<table·class="memname">129 ······<table·class="memname">
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419 ··</td>419 ··</td>
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421 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>421 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
422 ··</tr>422 ··</tr>
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424 </div><div·class="memdoc">424 </div><div·class="memdoc">
  
425 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d13/a00671_source.html#l00116">116</a>·of·file·<a·class="el"·href="../../d8/d13/a00671_source.html">RDFIntegrator.h</a>.</p>425 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfc/a01814_source.html#l00116">116</a>·of·file·<a·class="el"·href="../../d6/dfc/a01814_source.html">RDFIntegrator.h</a>.</p>
  
426 </div>426 </div>
427 </div>427 </div>
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429 <h2·class="memtitle"><span·class="permalink"><a·href="#a76f874edbf4c650de38c9e9ba9914724">&#9670;&nbsp;</a></span>valid_</h2>429 <h2·class="memtitle"><span·class="permalink"><a·href="#a76f874edbf4c650de38c9e9ba9914724">&#9670;&nbsp;</a></span>valid_</h2>
  
430 <div·class="memitem">430 <div·class="memitem">
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443 ··</td>443 ··</td>
444 ··<td·class="mlabels-right">444 ··<td·class="mlabels-right">
445 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>445 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
446 ··</tr>446 ··</tr>
447 </table>447 </table>
448 </div><div·class="memdoc">448 </div><div·class="memdoc">
  
449 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d13/a00671_source.html#l00123">123</a>·of·file·<a·class="el"·href="../../d8/d13/a00671_source.html">RDFIntegrator.h</a>.</p>449 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfc/a01814_source.html#l00123">123</a>·of·file·<a·class="el"·href="../../d6/dfc/a01814_source.html">RDFIntegrator.h</a>.</p>
  
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453 <!--·start·footer·part·-->453 <!--·start·footer·part·-->
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455 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4455 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../d8/de8/a06243.html">List·of·all·members</a>··</div>71 <a·href="../../d8/de8/a06243.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::CHPISlick·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::CHPISlick·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/db1/a00200_source.html">BALL/SCORING/COMPONENTS/CHPISlick.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/deb/a02090_source.html">BALL/SCORING/COMPONENTS/CHPISlick.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::CHPISlick:</div>77 Inheritance·diagram·for·BALL::CHPISlick:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d9/d93/a06246.png"·usemap="#BALL::CHPISlick_map"·alt=""/>80 ··<img·src="../../d9/d93/a06246.png"·usemap="#BALL::CHPISlick_map"·alt=""/>
81 ··<map·id="BALL::CHPISlick_map"·name="BALL::CHPISlick_map">81 ··<map·id="BALL::CHPISlick_map"·name="BALL::CHPISlick_map">
82 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>82 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
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209 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>209 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>
210 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>210 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
211 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>211 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
212 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>212 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
213 </table>213 </table>
214 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>214 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
215 <div·class="textblock"><p·>SLICK·ringstacking·component.·{\bf·Definition:}·\URL{<a·class="el"·href="../../de/db1/a00197.html">BALL/SCORING/COMPONENTS/CHPI.h</a>}·</p>215 <div·class="textblock"><p·>SLICK·ringstacking·component.·{\bf·Definition:}·\URL{<a·class="el"·href="../../da/d14/a02066.html">BALL/SCORING/COMPONENTS/CHPI.h</a>}·</p>
  
216 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/db1/a00200_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d3/db1/a00200_source.html">CHPISlick.h</a>.</p>216 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/deb/a02090_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d7/deb/a02090_source.html">CHPISlick.h</a>.</p>
217 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>217 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
218 <a·id="a6a18d77fad014144e3ac776871412a07"·name="a6a18d77fad014144e3ac776871412a07"></a>218 <a·id="a6a18d77fad014144e3ac776871412a07"·name="a6a18d77fad014144e3ac776871412a07"></a>
219 <h2·class="memtitle"><span·class="permalink"><a·href="#a6a18d77fad014144e3ac776871412a07">&#9670;&nbsp;</a></span>CHPISlick()·<span·class="overload">[1/3]</span></h2>219 <h2·class="memtitle"><span·class="permalink"><a·href="#a6a18d77fad014144e3ac776871412a07">&#9670;&nbsp;</a></span>CHPISlick()·<span·class="overload">[1/3]</span></h2>
  
220 <div·class="memitem">220 <div·class="memitem">
221 <div·class="memproto">221 <div·class="memproto">
222 ······<table·class="memname">222 ······<table·class="memname">
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460 ········<tr>460 ········<tr>
461 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::CHPISlick::options</td>461 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::CHPISlick::options</td>
462 ········</tr>462 ········</tr>
463 ······</table>463 ······</table>
464 </div><div·class="memdoc">464 </div><div·class="memdoc">
  
465 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/db1/a00200_source.html#l00273">273</a>·of·file·<a·class="el"·href="../../d3/db1/a00200_source.html">CHPISlick.h</a>.</p>465 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/deb/a02090_source.html#l00273">273</a>·of·file·<a·class="el"·href="../../d7/deb/a02090_source.html">CHPISlick.h</a>.</p>
  
466 </div>466 </div>
467 </div>467 </div>
468 </div><!--·contents·-->468 </div><!--·contents·-->
469 <!--·start·footer·part·-->469 <!--·start·footer·part·-->
470 <hr·class="footer"/><address·class="footer"><small>470 <hr·class="footer"/><address·class="footer"><small>
471 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4471 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">allModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">electrostatic.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/de8/a02006_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d87/a00032_source.html">BALL/MOLMEC/AMBER/amberNonBonded.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>
75 </div>76 </div>
76 <p><a·href="../../d9/d95/a02075_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d9/d95/a02075_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">78 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>80 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/ddd/a05594.html">BALL::QSAR::ALLModel</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d66/a06266.html">BALL::Electrostatic</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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64 ··<div·class="headertitle"><div·class="title">energy.doc·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">preferencesEntry.h·File·Reference</div></div>
65 </div><!--header-->72 </div><!--header-->
66 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dd3/a00902_source.html">BALL/FORMAT/INIFile.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
 76 </div>
 77 <p><a·href="../../d9/d9a/a00998_source.html">Go·to·the·source·code·of·this·file.</a></p>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_172821828ed838e714d67791f53a2f5a.html">ENERGY</a></li>··</ul>
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69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
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79 <code>#include·&lt;<a·class="el"·href="../../d3/da1/a01613_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code><br·/> 
80 </div>77 </div>
81 <p><a·href="../../d9/d9b/a01889_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d9/d9b/a01889_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls">79 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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72 ··<div·class="headertitle"><div·class="title">BALL::Polarity·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Polarity·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/de5/a00209_source.html">BALL/SCORING/COMPONENTS/polarity.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc4/a02042_source.html">BALL/SCORING/COMPONENTS/polarity.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Polarity:</div>77 Inheritance·diagram·for·BALL::Polarity:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d9/d9c/a06342.png"·usemap="#BALL::Polarity_map"·alt=""/>80 ··<img·src="../../d9/d9c/a06342.png"·usemap="#BALL::Polarity_map"·alt=""/>
81 ··<map·id="BALL::Polarity_map"·name="BALL::Polarity_map">81 ··<map·id="BALL::Polarity_map"·name="BALL::Polarity_map">
82 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>82 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
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203 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>203 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
204 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>204 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
205 </table>205 </table>
206 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>206 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
207 <div·class="textblock"><p·>Fresno·buried·polar·component.·{\bf·Definition:}·\URL{BALL/DOCKING/SCORING_COMPONENTS/buriedPolar.h}·</p>207 <div·class="textblock"><p·>Fresno·buried·polar·component.·{\bf·Definition:}·\URL{BALL/DOCKING/SCORING_COMPONENTS/buriedPolar.h}·</p>
  
208 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00209_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d3/de5/a00209_source.html">polarity.h</a>.</p>208 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc4/a02042_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d1/dc4/a02042_source.html">polarity.h</a>.</p>
209 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>209 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
210 <a·id="a4caa3117cb87bfebc87f025717759c8f"·name="a4caa3117cb87bfebc87f025717759c8f"></a>210 <a·id="a4caa3117cb87bfebc87f025717759c8f"·name="a4caa3117cb87bfebc87f025717759c8f"></a>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../d7/d4f/a05431.html">List·of·all·members</a>··</div>72 <a·href="../../d7/d4f/a05431.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::QuadraticImproperTorsion::Values·Struct·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::QuadraticImproperTorsion::Values·Struct·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d5/d12/a00794_source.html">BALL/MOLMEC/PARAMETER/quadraticImproperTorsion.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../da/d1e/a00149_source.html">BALL/MOLMEC/PARAMETER/quadraticImproperTorsion.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a9feb2b9e2afec9478624c602a403598a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da5/a05434.html#a9feb2b9e2afec9478624c602a403598a">operator==</a>·(const·<a·class="el"·href="../../d9/da5/a05434.html">Values</a>·&amp;values)·const</td></tr>80 <tr·class="memitem:a9feb2b9e2afec9478624c602a403598a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da5/a05434.html#a9feb2b9e2afec9478624c602a403598a">operator==</a>·(const·<a·class="el"·href="../../d9/da5/a05434.html">Values</a>·&amp;values)·const</td></tr>
81 <tr·class="separator:a9feb2b9e2afec9478624c602a403598a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a9feb2b9e2afec9478624c602a403598a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:abbe3607e00dded82b631e4021115b445"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da5/a05434.html#abbe3607e00dded82b631e4021115b445">operator!=</a>·(const·<a·class="el"·href="../../d9/da5/a05434.html">Values</a>·&amp;values)·const</td></tr>82 <tr·class="memitem:abbe3607e00dded82b631e4021115b445"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da5/a05434.html#abbe3607e00dded82b631e4021115b445">operator!=</a>·(const·<a·class="el"·href="../../d9/da5/a05434.html">Values</a>·&amp;values)·const</td></tr>
83 <tr·class="separator:abbe3607e00dded82b631e4021115b445"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:abbe3607e00dded82b631e4021115b445"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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88 <tr·class="memitem:a61be650c5cbb657b67a4d5df46a1436d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da5/a05434.html#a61be650c5cbb657b67a4d5df46a1436d">phase</a></td></tr>88 <tr·class="memitem:a61be650c5cbb657b67a4d5df46a1436d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da5/a05434.html#a61be650c5cbb657b67a4d5df46a1436d">phase</a></td></tr>
89 <tr·class="separator:a61be650c5cbb657b67a4d5df46a1436d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a61be650c5cbb657b67a4d5df46a1436d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a0012bfbdea11a0d86cf75f569640073c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da5/a05434.html#a0012bfbdea11a0d86cf75f569640073c">k</a></td></tr>90 <tr·class="memitem:a0012bfbdea11a0d86cf75f569640073c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da5/a05434.html#a0012bfbdea11a0d86cf75f569640073c">k</a></td></tr>
91 <tr·class="separator:a0012bfbdea11a0d86cf75f569640073c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a0012bfbdea11a0d86cf75f569640073c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">quadraticImproperTorsion.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d1e/a00149_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../da/d1e/a00149_source.html">quadraticImproperTorsion.h</a>.</p>
96 </div><h2·class="groupheader">Member·Function·Documentation</h2>96 </div><h2·class="groupheader">Member·Function·Documentation</h2>
97 <a·id="abbe3607e00dded82b631e4021115b445"·name="abbe3607e00dded82b631e4021115b445"></a>97 <a·id="abbe3607e00dded82b631e4021115b445"·name="abbe3607e00dded82b631e4021115b445"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#abbe3607e00dded82b631e4021115b445">&#9670;&nbsp;</a></span>operator!=()</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#abbe3607e00dded82b631e4021115b445">&#9670;&nbsp;</a></span>operator!=()</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 <table·class="mlabels">101 <table·class="mlabels">
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114 ··</td>114 ··</td>
115 ··<td·class="mlabels-right">115 ··<td·class="mlabels-right">
116 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>116 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
117 ··</tr>117 ··</tr>
118 </table>118 </table>
119 </div><div·class="memdoc">119 </div><div·class="memdoc">
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">quadraticImproperTorsion.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d1e/a00149_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../da/d1e/a00149_source.html">quadraticImproperTorsion.h</a>.</p>
  
121 </div>121 </div>
122 </div>122 </div>
123 <a·id="a9feb2b9e2afec9478624c602a403598a"·name="a9feb2b9e2afec9478624c602a403598a"></a>123 <a·id="a9feb2b9e2afec9478624c602a403598a"·name="a9feb2b9e2afec9478624c602a403598a"></a>
124 <h2·class="memtitle"><span·class="permalink"><a·href="#a9feb2b9e2afec9478624c602a403598a">&#9670;&nbsp;</a></span>operator==()</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#a9feb2b9e2afec9478624c602a403598a">&#9670;&nbsp;</a></span>operator==()</h2>
  
125 <div·class="memitem">125 <div·class="memitem">
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142 ··</td>142 ··</td>
143 ··<td·class="mlabels-right">143 ··<td·class="mlabels-right">
144 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>144 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
145 ··</tr>145 ··</tr>
146 </table>146 </table>
147 </div><div·class="memdoc">147 </div><div·class="memdoc">
  
148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">quadraticImproperTorsion.h</a>.</p>148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d1e/a00149_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../da/d1e/a00149_source.html">quadraticImproperTorsion.h</a>.</p>
  
149 </div>149 </div>
150 </div>150 </div>
151 <h2·class="groupheader">Member·Data·Documentation</h2>151 <h2·class="groupheader">Member·Data·Documentation</h2>
152 <a·id="a0012bfbdea11a0d86cf75f569640073c"·name="a0012bfbdea11a0d86cf75f569640073c"></a>152 <a·id="a0012bfbdea11a0d86cf75f569640073c"·name="a0012bfbdea11a0d86cf75f569640073c"></a>
153 <h2·class="memtitle"><span·class="permalink"><a·href="#a0012bfbdea11a0d86cf75f569640073c">&#9670;&nbsp;</a></span>k</h2>153 <h2·class="memtitle"><span·class="permalink"><a·href="#a0012bfbdea11a0d86cf75f569640073c">&#9670;&nbsp;</a></span>k</h2>
  
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160 ········<tr>160 ········<tr>
161 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::QuadraticImproperTorsion::Values::k</td>161 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::QuadraticImproperTorsion::Values::k</td>
162 ········</tr>162 ········</tr>
163 ······</table>163 ······</table>
164 </div><div·class="memdoc">164 </div><div·class="memdoc">
  
165 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">quadraticImproperTorsion.h</a>.</p>165 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d1e/a00149_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../da/d1e/a00149_source.html">quadraticImproperTorsion.h</a>.</p>
  
166 </div>166 </div>
167 </div>167 </div>
168 <a·id="a61be650c5cbb657b67a4d5df46a1436d"·name="a61be650c5cbb657b67a4d5df46a1436d"></a>168 <a·id="a61be650c5cbb657b67a4d5df46a1436d"·name="a61be650c5cbb657b67a4d5df46a1436d"></a>
169 <h2·class="memtitle"><span·class="permalink"><a·href="#a61be650c5cbb657b67a4d5df46a1436d">&#9670;&nbsp;</a></span>phase</h2>169 <h2·class="memtitle"><span·class="permalink"><a·href="#a61be650c5cbb657b67a4d5df46a1436d">&#9670;&nbsp;</a></span>phase</h2>
  
170 <div·class="memitem">170 <div·class="memitem">
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175 ······<table·class="memname">175 ······<table·class="memname">
176 ········<tr>176 ········<tr>
177 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::QuadraticImproperTorsion::Values::phase</td>177 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::QuadraticImproperTorsion::Values::phase</td>
178 ········</tr>178 ········</tr>
179 ······</table>179 ······</table>
180 </div><div·class="memdoc">180 </div><div·class="memdoc">
  
181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">quadraticImproperTorsion.h</a>.</p>181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d1e/a00149_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../da/d1e/a00149_source.html">quadraticImproperTorsion.h</a>.</p>
  
182 </div>182 </div>
183 </div>183 </div>
184 </div><!--·contents·-->184 </div><!--·contents·-->
185 <!--·start·footer·part·-->185 <!--·start·footer·part·-->
186 <hr·class="footer"/><address·class="footer"><small>186 <hr·class="footer"/><address·class="footer"><small>
187 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4187 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
75 <a·href="../../dd/d55/a07595.html">List·of·all·members</a>··</div>75 <a·href="../../dd/d55/a07595.html">List·of·all·members</a>··</div>
76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::EditSingleShortcut·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/deb/a02214.html">Modular·Widgets</a></div></div></div>76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::EditSingleShortcut·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/deb/a02214.html">Modular·Widgets</a></div></div></div>
77 </div><!--header-->77 </div><!--header-->
78 <div·class="contents">78 <div·class="contents">
  
79 <p><code>#include·&lt;<a·class="el"·href="../../d2/d29/a01376_source.html">BALL/VIEW/DIALOGS/editSingleShortcut.h</a>&gt;</code></p>79 <p><code>#include·&lt;<a·class="el"·href="../../d4/dd5/a01244_source.html">BALL/VIEW/DIALOGS/editSingleShortcut.h</a>&gt;</code></p>
80 <div·class="dynheader">80 <div·class="dynheader">
81 Inheritance·diagram·for·BALL::VIEW::EditSingleShortcut:</div>81 Inheritance·diagram·for·BALL::VIEW::EditSingleShortcut:</div>
82 <div·class="dyncontent">82 <div·class="dyncontent">
83 ·<div·class="center">83 ·<div·class="center">
84 ··<img·src="../../d9/da8/a07598.png"·usemap="#BALL::VIEW::EditSingleShortcut_map"·alt=""/>84 ··<img·src="../../d9/da8/a07598.png"·usemap="#BALL::VIEW::EditSingleShortcut_map"·alt=""/>
85 ··<map·id="BALL::VIEW::EditSingleShortcut_map"·name="BALL::VIEW::EditSingleShortcut_map">85 ··<map·id="BALL::VIEW::EditSingleShortcut_map"·name="BALL::VIEW::EditSingleShortcut_map">
86 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,189,24"/>86 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,189,24"/>
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143 <tr·class="separator:ad14e9f8a1af849e86623cf5eaf68fd0c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>143 <tr·class="separator:ad14e9f8a1af849e86623cf5eaf68fd0c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
144 <tr·class="memitem:ada8cddaaf6d53c83845da6c07daa633c"><td·class="memItemLeft"·align="right"·valign="top">QKeySequence&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da8/a07598.html#ada8cddaaf6d53c83845da6c07daa633c">new_sequence_</a></td></tr>144 <tr·class="memitem:ada8cddaaf6d53c83845da6c07daa633c"><td·class="memItemLeft"·align="right"·valign="top">QKeySequence&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da8/a07598.html#ada8cddaaf6d53c83845da6c07daa633c">new_sequence_</a></td></tr>
145 <tr·class="separator:ada8cddaaf6d53c83845da6c07daa633c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>145 <tr·class="separator:ada8cddaaf6d53c83845da6c07daa633c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
146 </table>146 </table>
147 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>147 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
148 <div·class="textblock"><p·>Widget·for·customizing·BALLView·shortcuts·</p>148 <div·class="textblock"><p·>Widget·for·customizing·BALLView·shortcuts·</p>
  
149 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d29/a01376_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d2/d29/a01376_source.html">editSingleShortcut.h</a>.</p>149 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd5/a01244_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d4/dd5/a01244_source.html">editSingleShortcut.h</a>.</p>
150 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>150 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
151 <a·id="a350c048eb0595e072ab73b9a01dfc843"·name="a350c048eb0595e072ab73b9a01dfc843"></a>151 <a·id="a350c048eb0595e072ab73b9a01dfc843"·name="a350c048eb0595e072ab73b9a01dfc843"></a>
152 <h2·class="memtitle"><span·class="permalink"><a·href="#a350c048eb0595e072ab73b9a01dfc843">&#9670;&nbsp;</a></span>EditSingleShortcut()</h2>152 <h2·class="memtitle"><span·class="permalink"><a·href="#a350c048eb0595e072ab73b9a01dfc843">&#9670;&nbsp;</a></span>EditSingleShortcut()</h2>
  
153 <div·class="memitem">153 <div·class="memitem">
154 <div·class="memproto">154 <div·class="memproto">
155 ······<table·class="memname">155 ······<table·class="memname">
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256 ··</td>256 ··</td>
257 ··<td·class="mlabels-right">257 ··<td·class="mlabels-right">
258 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>258 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
259 ··</tr>259 ··</tr>
260 </table>260 </table>
261 </div><div·class="memdoc">261 </div><div·class="memdoc">
  
262 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d29/a01376_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d2/d29/a01376_source.html">editSingleShortcut.h</a>.</p>262 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd5/a01244_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d4/dd5/a01244_source.html">editSingleShortcut.h</a>.</p>
  
263 </div>263 </div>
264 </div>264 </div>
265 <a·id="a3ca0371177c7cffaba9edd7f67a682cf"·name="a3ca0371177c7cffaba9edd7f67a682cf"></a>265 <a·id="a3ca0371177c7cffaba9edd7f67a682cf"·name="a3ca0371177c7cffaba9edd7f67a682cf"></a>
266 <h2·class="memtitle"><span·class="permalink"><a·href="#a3ca0371177c7cffaba9edd7f67a682cf">&#9670;&nbsp;</a></span>keyPressEvent()</h2>266 <h2·class="memtitle"><span·class="permalink"><a·href="#a3ca0371177c7cffaba9edd7f67a682cf">&#9670;&nbsp;</a></span>keyPressEvent()</h2>
  
267 <div·class="memitem">267 <div·class="memitem">
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564 ··</td>564 ··</td>
565 ··<td·class="mlabels-right">565 ··<td·class="mlabels-right">
566 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>566 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
567 ··</tr>567 ··</tr>
568 </table>568 </table>
569 </div><div·class="memdoc">569 </div><div·class="memdoc">
  
570 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d29/a01376_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../d2/d29/a01376_source.html">editSingleShortcut.h</a>.</p>570 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd5/a01244_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../d4/dd5/a01244_source.html">editSingleShortcut.h</a>.</p>
  
571 </div>571 </div>
572 </div>572 </div>
573 <a·id="ad14e9f8a1af849e86623cf5eaf68fd0c"·name="ad14e9f8a1af849e86623cf5eaf68fd0c"></a>573 <a·id="ad14e9f8a1af849e86623cf5eaf68fd0c"·name="ad14e9f8a1af849e86623cf5eaf68fd0c"></a>
574 <h2·class="memtitle"><span·class="permalink"><a·href="#ad14e9f8a1af849e86623cf5eaf68fd0c">&#9670;&nbsp;</a></span>key_</h2>574 <h2·class="memtitle"><span·class="permalink"><a·href="#ad14e9f8a1af849e86623cf5eaf68fd0c">&#9670;&nbsp;</a></span>key_</h2>
  
575 <div·class="memitem">575 <div·class="memitem">
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588 ··</td>588 ··</td>
589 ··<td·class="mlabels-right">589 ··<td·class="mlabels-right">
590 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>590 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
591 ··</tr>591 ··</tr>
592 </table>592 </table>
593 </div><div·class="memdoc">593 </div><div·class="memdoc">
  
594 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d29/a01376_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d2/d29/a01376_source.html">editSingleShortcut.h</a>.</p>594 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd5/a01244_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d4/dd5/a01244_source.html">editSingleShortcut.h</a>.</p>
  
595 </div>595 </div>
596 </div>596 </div>
597 <a·id="a259b4d02284b1ae5835620f51e1e1e57"·name="a259b4d02284b1ae5835620f51e1e1e57"></a>597 <a·id="a259b4d02284b1ae5835620f51e1e1e57"·name="a259b4d02284b1ae5835620f51e1e1e57"></a>
598 <h2·class="memtitle"><span·class="permalink"><a·href="#a259b4d02284b1ae5835620f51e1e1e57">&#9670;&nbsp;</a></span>modifiers_</h2>598 <h2·class="memtitle"><span·class="permalink"><a·href="#a259b4d02284b1ae5835620f51e1e1e57">&#9670;&nbsp;</a></span>modifiers_</h2>
  
599 <div·class="memitem">599 <div·class="memitem">
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612 ··</td>612 ··</td>
613 ··<td·class="mlabels-right">613 ··<td·class="mlabels-right">
614 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>614 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
615 ··</tr>615 ··</tr>
616 </table>616 </table>
617 </div><div·class="memdoc">617 </div><div·class="memdoc">
  
618 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d29/a01376_source.html#l00063">63</a>·of·file·<a·class="el"·href="../../d2/d29/a01376_source.html">editSingleShortcut.h</a>.</p>618 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd5/a01244_source.html#l00063">63</a>·of·file·<a·class="el"·href="../../d4/dd5/a01244_source.html">editSingleShortcut.h</a>.</p>
  
619 </div>619 </div>
620 </div>620 </div>
621 <a·id="ada8cddaaf6d53c83845da6c07daa633c"·name="ada8cddaaf6d53c83845da6c07daa633c"></a>621 <a·id="ada8cddaaf6d53c83845da6c07daa633c"·name="ada8cddaaf6d53c83845da6c07daa633c"></a>
622 <h2·class="memtitle"><span·class="permalink"><a·href="#ada8cddaaf6d53c83845da6c07daa633c">&#9670;&nbsp;</a></span>new_sequence_</h2>622 <h2·class="memtitle"><span·class="permalink"><a·href="#ada8cddaaf6d53c83845da6c07daa633c">&#9670;&nbsp;</a></span>new_sequence_</h2>
  
623 <div·class="memitem">623 <div·class="memitem">
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636 ··</td>636 ··</td>
637 ··<td·class="mlabels-right">637 ··<td·class="mlabels-right">
638 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>638 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
639 ··</tr>639 ··</tr>
640 </table>640 </table>
641 </div><div·class="memdoc">641 </div><div·class="memdoc">
  
642 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d29/a01376_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d2/d29/a01376_source.html">editSingleShortcut.h</a>.</p>642 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd5/a01244_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d4/dd5/a01244_source.html">editSingleShortcut.h</a>.</p>
  
643 </div>643 </div>
644 </div>644 </div>
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646 <!--·start·footer·part·-->646 <!--·start·footer·part·-->
647 <hr·class="footer"/><address·class="footer"><small>647 <hr·class="footer"/><address·class="footer"><small>
648 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4648 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="../../da/d59/a08135.html">List·of·all·members</a>··</div>72 <a·href="../../da/d59/a08135.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::InputDevPluginHandler·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::InputDevPluginHandler·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d8/ddf/a01238_source.html">BALL/VIEW/PLUGIN/inputDevPluginHandler.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../de/df1/a01151_source.html">BALL/VIEW/PLUGIN/inputDevPluginHandler.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::InputDevPluginHandler:</div>78 Inheritance·diagram·for·BALL::VIEW::InputDevPluginHandler:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../d9/da8/a08138.png"·usemap="#BALL::VIEW::InputDevPluginHandler_map"·alt=""/>81 ··<img·src="../../d9/da8/a08138.png"·usemap="#BALL::VIEW::InputDevPluginHandler_map"·alt=""/>
82 ··<map·id="BALL::VIEW::InputDevPluginHandler_map"·name="BALL::VIEW::InputDevPluginHandler_map">82 ··<map·id="BALL::VIEW::InputDevPluginHandler_map"·name="BALL::VIEW::InputDevPluginHandler_map">
83 <area·href="../../da/d41/a05550.html"·alt="BALL::PluginHandler"·shape="rect"·coords="0,0,216,24"/>83 <area·href="../../da/d41/a05550.html"·alt="BALL::PluginHandler"·shape="rect"·coords="0,0,216,24"/>
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117 <tr·class="inherit_header·pro_attribs_a05550"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a05550')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../da/d41/a05550.html">BALL::PluginHandler</a></td></tr>117 <tr·class="inherit_header·pro_attribs_a05550"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a05550')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../da/d41/a05550.html">BALL::PluginHandler</a></td></tr>
118 <tr·class="memitem:ad2f1fe3a241b5069c4a60b4429e71ec2·inherit·pro_attribs_a05550"><td·class="memItemLeft"·align="right"·valign="top">std::list&lt;·<a·class="el"·href="../../d1/d22/a05546.html">BALLPlugin</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d41/a05550.html#ad2f1fe3a241b5069c4a60b4429e71ec2">running_plugins_</a></td></tr>118 <tr·class="memitem:ad2f1fe3a241b5069c4a60b4429e71ec2·inherit·pro_attribs_a05550"><td·class="memItemLeft"·align="right"·valign="top">std::list&lt;·<a·class="el"·href="../../d1/d22/a05546.html">BALLPlugin</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d41/a05550.html#ad2f1fe3a241b5069c4a60b4429e71ec2">running_plugins_</a></td></tr>
119 <tr·class="separator:ad2f1fe3a241b5069c4a60b4429e71ec2·inherit·pro_attribs_a05550"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:ad2f1fe3a241b5069c4a60b4429e71ec2·inherit·pro_attribs_a05550"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>See·<a·class="el"·href="../../da/d41/a05550.html">PluginHandler</a>·for·detailed·documentation·</p>122 <div·class="textblock"><p·>See·<a·class="el"·href="../../da/d41/a05550.html">PluginHandler</a>·for·detailed·documentation·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/ddf/a01238_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../d8/ddf/a01238_source.html">inputDevPluginHandler.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/df1/a01151_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../de/df1/a01151_source.html">inputDevPluginHandler.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
125 <a·id="a451376e45799086894162d44307f081e"·name="a451376e45799086894162d44307f081e"></a>125 <a·id="a451376e45799086894162d44307f081e"·name="a451376e45799086894162d44307f081e"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a451376e45799086894162d44307f081e">&#9670;&nbsp;</a></span>canHandle()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a451376e45799086894162d44307f081e">&#9670;&nbsp;</a></span>canHandle()</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
128 <div·class="memproto">128 <div·class="memproto">
129 <table·class="mlabels">129 <table·class="mlabels">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d7/dfa/a03751.html">List·of·all·members</a>··</div>71 <a·href="../../d7/dfa/a03751.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::DoubleGene·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::DoubleGene·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d60/a00491_source.html">BALL/DOCKING/GENETICDOCK/genes.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d8/daf/a01550_source.html">BALL/DOCKING/GENETICDOCK/genes.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::DoubleGene:</div>77 Inheritance·diagram·for·BALL::DoubleGene:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d9/dae/a03754.png"·usemap="#BALL::DoubleGene_map"·alt=""/>80 ··<img·src="../../d9/dae/a03754.png"·usemap="#BALL::DoubleGene_map"·alt=""/>
81 ··<map·id="BALL::DoubleGene_map"·name="BALL::DoubleGene_map">81 ··<map·id="BALL::DoubleGene_map"·name="BALL::DoubleGene_map">
82 <area·href="../../d2/d17/a03750.html"·alt="BALL::GenericGene"·shape="rect"·coords="0,0,124,24"/>82 <area·href="../../d2/d17/a03750.html"·alt="BALL::GenericGene"·shape="rect"·coords="0,0,124,24"/>
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125 <tr·class="separator:af848aae5e57d30904a96e9f30b011a17·inherit·pro_methods_a03750"><td·class="memSeparator"·colspan="2">&#160;</td></tr>125 <tr·class="separator:af848aae5e57d30904a96e9f30b011a17·inherit·pro_methods_a03750"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
126 <tr·class="memitem:aa17a5330120d334c94c07edf7a647d90·inherit·pro_methods_a03750"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d17/a03750.html#aa17a5330120d334c94c07edf7a647d90">randomGenePosition</a>·(int·from,·int·to)</td></tr>126 <tr·class="memitem:aa17a5330120d334c94c07edf7a647d90·inherit·pro_methods_a03750"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d17/a03750.html#aa17a5330120d334c94c07edf7a647d90">randomGenePosition</a>·(int·from,·int·to)</td></tr>
127 <tr·class="separator:aa17a5330120d334c94c07edf7a647d90·inherit·pro_methods_a03750"><td·class="memSeparator"·colspan="2">&#160;</td></tr>127 <tr·class="separator:aa17a5330120d334c94c07edf7a647d90·inherit·pro_methods_a03750"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
128 </table>128 </table>
129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
130 <div·class="textblock"><p·>gene·with·an·arbitrary·number·of·double·values·</p>130 <div·class="textblock"><p·>gene·with·an·arbitrary·number·of·double·values·</p>
  
131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d60/a00491_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d6/d60/a00491_source.html">genes.h</a>.</p>131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/daf/a01550_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d8/daf/a01550_source.html">genes.h</a>.</p>
132 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>132 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
133 <a·id="ad2752b92df531a761235536ed92c3267"·name="ad2752b92df531a761235536ed92c3267"></a>133 <a·id="ad2752b92df531a761235536ed92c3267"·name="ad2752b92df531a761235536ed92c3267"></a>
134 <h2·class="memtitle"><span·class="permalink"><a·href="#ad2752b92df531a761235536ed92c3267">&#9670;&nbsp;</a></span>DoubleGene()·<span·class="overload">[1/2]</span></h2>134 <h2·class="memtitle"><span·class="permalink"><a·href="#ad2752b92df531a761235536ed92c3267">&#9670;&nbsp;</a></span>DoubleGene()·<span·class="overload">[1/2]</span></h2>
  
135 <div·class="memitem">135 <div·class="memitem">
136 <div·class="memproto">136 <div·class="memproto">
137 ······<table·class="memname">137 ······<table·class="memname">
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8 <title>BALL:·charmmImproperTorsion.h·File·Reference</title>8 <title>BALL:·textPersistenceManager.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_8cdbfb4bef7508ff4809ac8ed890f379.html">CHARMM</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#define-members">Macros</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">charmmImproperTorsion.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">textPersistenceManager.h·File·Reference</div></div>
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74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d11/a00842_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d5/d12/a00794_source.html">BALL/MOLMEC/PARAMETER/quadraticImproperTorsion.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d3/d60/a00818_source.html">BALL/MOLMEC/PARAMETER/residueTorsions.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../dc/d17/a00872_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../dc/d2c/a00893_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/> 
80 </div>75 </div>
81 <p><a·href="../../d9/daf/a00830_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d9/daf/a00830_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls">77 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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92 </table><table·class="memberdecls"> 
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
94 Macros</h2></td></tr> 
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97 <tr·class="separator:a18d420c0121c8e05702d3575d239061b"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 </table>87 </table>
99 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
100 <a·id="a18d420c0121c8e05702d3575d239061b"·name="a18d420c0121c8e05702d3575d239061b"></a> 
101 <h2·class="memtitle"><span·class="permalink"><a·href="#a18d420c0121c8e05702d3575d239061b">&#9670;&nbsp;</a></span>CHARMM_IMPROPER_TORSIONS_ENABLED</h2> 
  
102 <div·class="memitem"> 
103 <div·class="memproto"> 
104 ······<table·class="memname"> 
105 ········<tr> 
106 ··········<td·class="memname">#define·CHARMM_IMPROPER_TORSIONS_ENABLED&#160;&#160;&#160;&quot;enable·IT&quot;</td> 
107 ········</tr> 
108 ······</table> 
109 </div><div·class="memdoc"> 
  
110 <p>flag·to·enable·improper·torsions·</p> 
  
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/daf/a00830_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../d9/daf/a00830_source.html">charmmImproperTorsion.h</a>.</p> 
  
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71 ··<div·class="headertitle"><div·class="title">moveMode.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">snapshotManagerInterface.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d4c/a01058_source.html">BALL/VIEW/KERNEL/MODES/interactionMode.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/dc1/a00092_source.html">BALL/MOLMEC/COMMON/snapShotManager.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;vector&gt;</code><br·/>
 76 <code>#include·&lt;deque&gt;</code><br·/>
75 </div>77 </div>
76 <p><a·href="../../d9/db3/a01064_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d9/db3/a01064_source.html">Go·to·the·source·code·of·this·file.</a></p>
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79 Classes</h2></td></tr>81 Classes</h2></td></tr>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_bdf615705158bdb9ef48f1578bccfd92.html">PYTHON</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c153eaa5b1a7273a1076ed00b51614f.html">EXTENSIONS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
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71 ··<div·class="headertitle"><div·class="title">pyCompositeList.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">atomTypes.h·File·Reference</div></div>
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73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
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76 <code>#include·&lt;<a·class="el"·href="../../d6/d80/a01076_source.html">BALL/VIEW/KERNEL/representation.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
77 </div>77 </div>
78 <p><a·href="../../d9/db6/a00146_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d9/db6/a00146_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">79 <table·class="memberdecls">
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86 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
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 108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/db6/a00146_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d9/db6/a00146_source.html">atomTypes.h</a>.</p>
  
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 112 <h2·class="memtitle"><span·class="permalink"><a·href="#a71f22e0e7433e4f0fd31860692b41585">&#9670;&nbsp;</a></span>BALL_ATOM_WILDCARD_NAME</h2>
  
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72 ··<div·class="headertitle"><div·class="title">BALL::HBondProcessor::PredictionMethod·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::HBondProcessor::PredictionMethod·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../d7/db6/a06930.html"·title="Default·values·for·options.">Default</a>·values·for·options.··75 <p><a·class="el"·href="../../d7/db6/a06930.html"·title="Default·values·for·options.">Default</a>·values·for·options.··
76 ·<a·href="../../d9/dbb/a06934.html#details">More...</a></p>76 ·<a·href="../../d9/dbb/a06934.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../dc/dce/a00740_source.html">BALL/STRUCTURE/HBondProcessor.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d7/d02/a01808_source.html">BALL/STRUCTURE/HBondProcessor.h</a>&gt;</code></p>
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86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock"><p·><a·class="el"·href="../../d7/db6/a06930.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>87 <div·class="textblock"><p·><a·class="el"·href="../../d7/db6/a06930.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>
  
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106 ··</td>106 ··</td>
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72 ··<div·class="headertitle"><div·class="title">BALL::AromaticityProcessor::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::AromaticityProcessor::Default·Struct·Reference</div></div>
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74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../d9/dc0/a05606.html"·title="Default·values·for·options.">Default</a>·values·for·options.··75 <p><a·class="el"·href="../../d9/dc0/a05606.html"·title="Default·values·for·options.">Default</a>·values·for·options.··
76 ·<a·href="../../d9/dc0/a05606.html#details">More...</a></p>76 ·<a·href="../../d9/dc0/a05606.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d3/d67/a01958_source.html">BALL/QSAR/aromaticityProcessor.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../df/d15/a00416_source.html">BALL/QSAR/aromaticityProcessor.h</a>&gt;</code></p>
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84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock"><p·><a·class="el"·href="../../d9/dc0/a05606.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>85 <div·class="textblock"><p·><a·class="el"·href="../../d9/dc0/a05606.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>
  
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d67/a01958_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d3/d67/a01958_source.html">aromaticityProcessor.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d15/a00416_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../df/d15/a00416_source.html">aromaticityProcessor.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="aa9164b49b34a37241c4774fc3e4b81a6"·name="aa9164b49b34a37241c4774fc3e4b81a6"></a>88 <a·id="aa9164b49b34a37241c4774fc3e4b81a6"·name="aa9164b49b34a37241c4774fc3e4b81a6"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#aa9164b49b34a37241c4774fc3e4b81a6">&#9670;&nbsp;</a></span>OVERWRITE_BOND_ORDERS</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#aa9164b49b34a37241c4774fc3e4b81a6">&#9670;&nbsp;</a></span>OVERWRITE_BOND_ORDERS</h2>
  
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73 ··<div·class="headertitle"><div·class="title">BALL::LogStreamNotifier·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::LogStreamNotifier·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/COMMON/logStream.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../df/d6f/a00623_source.html">BALL/COMMON/logStream.h</a>&gt;</code></p>
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81 ··<img·src="../../d9/dc1/a03194.png"·usemap="#BALL::LogStreamNotifier_map"·alt=""/>81 ··<img·src="../../d9/dc1/a03194.png"·usemap="#BALL::LogStreamNotifier_map"·alt=""/>
82 ··<map·id="BALL::LogStreamNotifier_map"·name="BALL::LogStreamNotifier_map">82 ··<map·id="BALL::LogStreamNotifier_map"·name="BALL::LogStreamNotifier_map">
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103 <tr·class="memitem:aa38daaea14af95e6d3a8ce1308785c61"><td·class="memItemLeft"·align="right"·valign="top">std::stringstream&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc1/a03194.html#aa38daaea14af95e6d3a8ce1308785c61">stream_</a></td></tr>103 <tr·class="memitem:aa38daaea14af95e6d3a8ce1308785c61"><td·class="memItemLeft"·align="right"·valign="top">std::stringstream&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc1/a03194.html#aa38daaea14af95e6d3a8ce1308785c61">stream_</a></td></tr>
104 <tr·class="separator:aa38daaea14af95e6d3a8ce1308785c61"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:aa38daaea14af95e6d3a8ce1308785c61"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 <tr·class="memitem:a211e8e09e78d9c7a51f4d352a51a0c65"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/dd3/a03198.html">LogStream</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc1/a03194.html#a211e8e09e78d9c7a51f4d352a51a0c65">registered_at_</a></td></tr>105 <tr·class="memitem:a211e8e09e78d9c7a51f4d352a51a0c65"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/dd3/a03198.html">LogStream</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc1/a03194.html#a211e8e09e78d9c7a51f4d352a51a0c65">registered_at_</a></td></tr>
106 <tr·class="separator:a211e8e09e78d9c7a51f4d352a51a0c65"><td·class="memSeparator"·colspan="2">&#160;</td></tr>106 <tr·class="separator:a211e8e09e78d9c7a51f4d352a51a0c65"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
107 </table>107 </table>
108 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>108 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
109 <div·class="textblock">109 <div·class="textblock">
110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00210">210</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">logStream.h</a>.</p>110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6f/a00623_source.html#l00210">210</a>·of·file·<a·class="el"·href="../../df/d6f/a00623_source.html">logStream.h</a>.</p>
111 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>111 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
112 <a·id="a3d5dbb4bdcffaf03804c6e5ed0817384"·name="a3d5dbb4bdcffaf03804c6e5ed0817384"></a>112 <a·id="a3d5dbb4bdcffaf03804c6e5ed0817384"·name="a3d5dbb4bdcffaf03804c6e5ed0817384"></a>
113 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d5dbb4bdcffaf03804c6e5ed0817384">&#9670;&nbsp;</a></span>LogStreamNotifier()</h2>113 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d5dbb4bdcffaf03804c6e5ed0817384">&#9670;&nbsp;</a></span>LogStreamNotifier()</h2>
  
114 <div·class="memitem">114 <div·class="memitem">
115 <div·class="memproto">115 <div·class="memproto">
116 ······<table·class="memname">116 ······<table·class="memname">
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247 ··</td>247 ··</td>
248 ··<td·class="mlabels-right">248 ··<td·class="mlabels-right">
249 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>249 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
250 ··</tr>250 ··</tr>
251 </table>251 </table>
252 </div><div·class="memdoc">252 </div><div·class="memdoc">
  
253 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00234">234</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">logStream.h</a>.</p>253 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6f/a00623_source.html#l00234">234</a>·of·file·<a·class="el"·href="../../df/d6f/a00623_source.html">logStream.h</a>.</p>
  
254 </div>254 </div>
255 </div>255 </div>
256 <a·id="aa38daaea14af95e6d3a8ce1308785c61"·name="aa38daaea14af95e6d3a8ce1308785c61"></a>256 <a·id="aa38daaea14af95e6d3a8ce1308785c61"·name="aa38daaea14af95e6d3a8ce1308785c61"></a>
257 <h2·class="memtitle"><span·class="permalink"><a·href="#aa38daaea14af95e6d3a8ce1308785c61">&#9670;&nbsp;</a></span>stream_</h2>257 <h2·class="memtitle"><span·class="permalink"><a·href="#aa38daaea14af95e6d3a8ce1308785c61">&#9670;&nbsp;</a></span>stream_</h2>
  
258 <div·class="memitem">258 <div·class="memitem">
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271 ··</td>271 ··</td>
272 ··<td·class="mlabels-right">272 ··<td·class="mlabels-right">
273 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>273 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
274 ··</tr>274 ··</tr>
275 </table>275 </table>
276 </div><div·class="memdoc">276 </div><div·class="memdoc">
  
277 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00232">232</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">logStream.h</a>.</p>277 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6f/a00623_source.html#l00232">232</a>·of·file·<a·class="el"·href="../../df/d6f/a00623_source.html">logStream.h</a>.</p>
  
278 </div>278 </div>
279 </div>279 </div>
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281 <!--·start·footer·part·-->281 <!--·start·footer·part·-->
282 <hr·class="footer"/><address·class="footer"><small>282 <hr·class="footer"/><address·class="footer"><small>
283 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4283 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../de/d11/a03387.html">List·of·all·members</a>··</div>71 <a·href="../../de/d11/a03387.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Bit·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d3/da9/a02131.html">General·datastructures</a>·&raquo;·<a·class="el"·href="../../da/d42/a02134.html">Miscellaneous</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Bit·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d3/da9/a02131.html">General·datastructures</a>·&raquo;·<a·class="el"·href="../../da/d42/a02134.html">Miscellaneous</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d18/a01925_source.html">BALL/DATATYPE/bitVector.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/deb/a00710_source.html">BALL/DATATYPE/bitVector.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
78 Classes</h2></td></tr>78 Classes</h2></td></tr>
79 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d2b/a03394.html">IllegalOperation</a></td></tr>79 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d2b/a03394.html">IllegalOperation</a></td></tr>
80 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 </table><table·class="memberdecls">81 </table><table·class="memberdecls">
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
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113 <tr·class="memitem:abe5fdb9235719a3bf564af6738df0d2d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc1/a03390.html#abe5fdb9235719a3bf564af6738df0d2d">operator!=</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·bit)·const</td></tr>113 <tr·class="memitem:abe5fdb9235719a3bf564af6738df0d2d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc1/a03390.html#abe5fdb9235719a3bf564af6738df0d2d">operator!=</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·bit)·const</td></tr>
114 <tr·class="separator:abe5fdb9235719a3bf564af6738df0d2d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>114 <tr·class="separator:abe5fdb9235719a3bf564af6738df0d2d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
115 </table>115 </table>
116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
117 <div·class="textblock"><p·><a·class="el"·href="../../d9/dc1/a03390.html">Bit</a>·Class.·This·class·represents·a·bit·within·a·<a·class="el"·href="../../d1/d35/a03398.html">BitVector</a>.</p>117 <div·class="textblock"><p·><a·class="el"·href="../../d9/dc1/a03390.html">Bit</a>·Class.·This·class·represents·a·bit·within·a·<a·class="el"·href="../../d1/d35/a03398.html">BitVector</a>.</p>
118 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d1/d35/a03398.html">BitVector</a>.·</dd></dl>118 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d1/d35/a03398.html">BitVector</a>.·</dd></dl>
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d18/a01925_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d6/d18/a01925_source.html">bitVector.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/deb/a00710_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d4/deb/a00710_source.html">bitVector.h</a>.</p>
120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
121 <a·id="a187cebcea44f84c827370fe89ac6f29f"·name="a187cebcea44f84c827370fe89ac6f29f"></a>121 <a·id="a187cebcea44f84c827370fe89ac6f29f"·name="a187cebcea44f84c827370fe89ac6f29f"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#a187cebcea44f84c827370fe89ac6f29f">&#9670;&nbsp;</a></span>Bit()·<span·class="overload">[1/4]</span></h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#a187cebcea44f84c827370fe89ac6f29f">&#9670;&nbsp;</a></span>Bit()·<span·class="overload">[1/4]</span></h2>
  
123 <div·class="memitem">123 <div·class="memitem">
124 <div·class="memproto">124 <div·class="memproto">
125 ······<table·class="memname">125 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d0/d9b/a03103.html">List·of·all·members</a>··</div>71 <a·href="../../d0/d9b/a03103.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Exception::IllegalTreeOperation·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::IllegalTreeOperation·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Exception::IllegalTreeOperation:</div>77 Inheritance·diagram·for·BALL::Exception::IllegalTreeOperation:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d9/dc2/a03106.png"·usemap="#BALL::Exception::IllegalTreeOperation_map"·alt=""/>80 ··<img·src="../../d9/dc2/a03106.png"·usemap="#BALL::Exception::IllegalTreeOperation_map"·alt=""/>
81 ··<map·id="BALL::Exception::IllegalTreeOperation_map"·name="BALL::Exception::IllegalTreeOperation_map">81 ··<map·id="BALL::Exception::IllegalTreeOperation_map"·name="BALL::Exception::IllegalTreeOperation_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,225,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,225,80"/>
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131 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>131 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>Illegal·tree·operation.·This·exception·is·thrown·to·indicate·that·an·illegal·tree·operation·i.e.·node-&gt;setLeftChild(node)·was·requested.·</p>136 <div·class="textblock"><p·>Illegal·tree·operation.·This·exception·is·thrown·to·indicate·that·an·illegal·tree·operation·i.e.·node-&gt;setLeftChild(node)·was·requested.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00303">303</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00303">303</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="a333d135453e9450f3a7792645144a752"·name="a333d135453e9450f3a7792645144a752"></a>139 <a·id="a333d135453e9450f3a7792645144a752"·name="a333d135453e9450f3a7792645144a752"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a333d135453e9450f3a7792645144a752">&#9670;&nbsp;</a></span>IllegalTreeOperation()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a333d135453e9450f3a7792645144a752">&#9670;&nbsp;</a></span>IllegalTreeOperation()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
142 <div·class="memproto">142 <div·class="memproto">
143 ······<table·class="memname">143 ······<table·class="memname">
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8 <title>BALL:·editMode.h·File·Reference</title>8 <title>BALL:·clippingPlane.h·File·Reference</title>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_46bde4670535f76c6409b9b449574944.html">MINIMIZATION</a></li>··</ul>
65 </div>65 </div>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">rotationalEntropy.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">shiftedLVMM.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/dc8/a00242_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d15/a00188_source.html">BALL/MOLMEC/MINIMIZATION/energyMinimizer.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../de/d79/a00203_source.html">BALL/MOLMEC/MINIMIZATION/lineSearch.h</a>&gt;</code><br·/>
75 </div>76 </div>
76 <p><a·href="../../d9/dd0/a00191_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d9/dd0/a00191_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">78 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>80 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d14/a06358.html">BALL::RotationalEntropy</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d32/a05194.html">BALL::ShiftedLVMMMinimizer</a></td></tr>
 82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dac/a05198.html">BALL::ShiftedLVMMMinimizer::Option</a></td></tr>
 84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3b/a05202.html">BALL::ShiftedLVMMMinimizer::Default</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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84 Namespaces</h2></td></tr>89 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d1/d8e/a04879.html">List·of·all·members</a>··</div>70 <a·href="../../d1/d8e/a04879.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::PiecewisePolynomial·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../db/dcf/a02157.html">Mathematics</a>·&raquo;·<a·class="el"·href="../../df/dbf/a02161.html">Function·classes</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::PiecewisePolynomial·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../db/dcf/a02157.html">Mathematics</a>·&raquo;·<a·class="el"·href="../../df/dbf/a02161.html">Function·classes</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d2/d31/a01811_source.html">BALL/MATHS/piecewisePolynomial.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d5/d35/a00266_source.html">BALL/MATHS/piecewisePolynomial.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::PiecewisePolynomial:</div>76 Inheritance·diagram·for·BALL::PiecewisePolynomial:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../d9/dd0/a04882.png"·usemap="#BALL::PiecewisePolynomial_map"·alt=""/>79 ··<img·src="../../d9/dd0/a04882.png"·usemap="#BALL::PiecewisePolynomial_map"·alt=""/>
80 ··<map·id="BALL::PiecewisePolynomial_map"·name="BALL::PiecewisePolynomial_map">80 ··<map·id="BALL::PiecewisePolynomial_map"·name="BALL::PiecewisePolynomial_map">
81 <area·href="../../dd/d60/a04878.html"·alt="BALL::PiecewiseFunction"·shape="rect"·coords="0,0,167,24"/>81 <area·href="../../dd/d60/a04878.html"·alt="BALL::PiecewiseFunction"·shape="rect"·coords="0,0,167,24"/>
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174 </table>174 </table>
175 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>175 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
176 <div·class="textblock"><p·>Piecewise·polynomial·curve·object.·This·class·provides·a·trivial·implementation·of·piecewise·polynomial·curves.·More·useful·spline/B-spline·implementations·might·follow·in·the·future.·The·PPCurves·are·of·the·form·</p><p·class="formulaDsp">176 <div·class="textblock"><p·>Piecewise·polynomial·curve·object.·This·class·provides·a·trivial·implementation·of·piecewise·polynomial·curves.·More·useful·spline/B-spline·implementations·might·follow·in·the·future.·The·PPCurves·are·of·the·form·</p><p·class="formulaDsp">
177 <img·class="formulaDsp"·alt="\[\sum_{i=0}^{d}·a_i^{(k)}·(x·-·x_0^{(k)})^i\]"·src="../../form_32.png"·width="96"·height="38"/>177 <img·class="formulaDsp"·alt="\[\sum_{i=0}^{d}·a_i^{(k)}·(x·-·x_0^{(k)})^i\]"·src="../../form_32.png"·width="96"·height="38"/>
178 </p>178 </p>
179 <p>,·where·<img·class="formulaInl"·alt="$k$"·src="../../form_33.png"·width="6"·height="10"/>·is·the·index·of·the·interval·and·<img·class="formulaInl"·alt="$d$"·src="../../form_34.png"·width="6"·height="10"/>·is·the·overall·degree·of·the·PPCurve.·Note·that·there·is·no·warranty·that·the·defined·curve·is·continuously·differentiable·or·even·continuous.·</p>179 <p>,·where·<img·class="formulaInl"·alt="$k$"·src="../../form_33.png"·width="6"·height="10"/>·is·the·index·of·the·interval·and·<img·class="formulaInl"·alt="$d$"·src="../../form_34.png"·width="6"·height="10"/>·is·the·overall·degree·of·the·PPCurve.·Note·that·there·is·no·warranty·that·the·defined·curve·is·continuously·differentiable·or·even·continuous.·</p>
  
180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a01811_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d2/d31/a01811_source.html">piecewisePolynomial.h</a>.</p>180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d35/a00266_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d5/d35/a00266_source.html">piecewisePolynomial.h</a>.</p>
181 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>181 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
182 <a·id="a99659d0fb7270271a84cc35ba62d6f3c"·name="a99659d0fb7270271a84cc35ba62d6f3c"></a>182 <a·id="a99659d0fb7270271a84cc35ba62d6f3c"·name="a99659d0fb7270271a84cc35ba62d6f3c"></a>
183 <h2·class="memtitle"><span·class="permalink"><a·href="#a99659d0fb7270271a84cc35ba62d6f3c">&#9670;&nbsp;</a></span>PiecewisePolynomial()·<span·class="overload">[1/3]</span></h2>183 <h2·class="memtitle"><span·class="permalink"><a·href="#a99659d0fb7270271a84cc35ba62d6f3c">&#9670;&nbsp;</a></span>PiecewisePolynomial()·<span·class="overload">[1/3]</span></h2>
  
184 <div·class="memitem">184 <div·class="memitem">
185 <div·class="memproto">185 <div·class="memproto">
186 ······<table·class="memname">186 ······<table·class="memname">
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503 ··</td>503 ··</td>
504 ··<td·class="mlabels-right">504 ··<td·class="mlabels-right">
505 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>505 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
506 ··</tr>506 ··</tr>
507 </table>507 </table>
508 </div><div·class="memdoc">508 </div><div·class="memdoc">
  
509 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a01811_source.html#l00111">111</a>·of·file·<a·class="el"·href="../../d2/d31/a01811_source.html">piecewisePolynomial.h</a>.</p>509 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d35/a00266_source.html#l00111">111</a>·of·file·<a·class="el"·href="../../d5/d35/a00266_source.html">piecewisePolynomial.h</a>.</p>
  
510 </div>510 </div>
511 </div>511 </div>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">secondaryStructure.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">svmModel.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d15/a00416_source.html">BALL/KERNEL/residue.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d91/a00335_source.html">BALL/QSAR/classificationModel.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/d10/a00350_source.html">BALL/KERNEL/residueIterator.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../db/d10/a00350_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d7/d00/a00401_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d1/d7e/a00434_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code><br·/>
77 </div>77 </div>
78 <p><a·href="../../d9/dd1/a00398_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d9/dd1/a00398_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">79 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>81 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dad/a04630.html">BALL::SecondaryStructure</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/de4/a06106.html">BALL::QSAR::SVMModel</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
84 </table><table·class="memberdecls">84 </table><table·class="memberdecls">
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86 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
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85 Typedefs</h2></td></tr> 
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87 <tr·class="separator:ga18f879702c5070d54c2653d9f6e7ada5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 Functions</h2></td></tr>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">energeticEvaluation.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">vector2.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d44/a00527_source.html">BALL/DOCKING/COMMON/conformationSet.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d11/a00842_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/>
75 <code>#include·&lt;vector&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/MATHS/common.h</a>&gt;</code><br·/>
76 </div>77 </div>
77 <p><a·href="../../d9/dd6/a00272_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d9/dd6/a00272_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">79 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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85 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
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 91 <tr·class="memitem:ga79bc772aca78579b6294de9f76e7cdc0"><td·class="memItemLeft"·align="right"·valign="top">typedef·TVector2&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d48/a02167.html#ga79bc772aca78579b6294de9f76e7cdc0">BALL::Vector2</a></td></tr>
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 94 <tr·class="memitem:ga7225a6d15e4a2caf763ee108e42a2a53"><td·class="memTemplItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d4d/a00620.html#aac36dac5eb210529000645a87a85b79c">BALL_INLINE</a>·TVector2&lt;·T·&gt;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../de/d48/a02167.html#ga7225a6d15e4a2caf763ee108e42a2a53">BALL::operator*</a>·(const·T·&amp;scalar,·const·TVector2&lt;·T·&gt;·&amp;vector)</td></tr>
 95 <tr·class="separator:ga7225a6d15e4a2caf763ee108e42a2a53"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 <tr·class="memitem:ga371dfbf0109f113eda2f6539fdefe4f2"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr>
 97 <tr·class="memitem:ga371dfbf0109f113eda2f6539fdefe4f2"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../de/d48/a02167.html#ga371dfbf0109f113eda2f6539fdefe4f2">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·TVector2&lt;·T·&gt;·&amp;vector)</td></tr>
 98 <tr·class="separator:ga371dfbf0109f113eda2f6539fdefe4f2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 99 <tr·class="memitem:gaa5abe9bc265b7707e37eead6ae1c2ff7"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr>
 100 <tr·class="memitem:gaa5abe9bc265b7707e37eead6ae1c2ff7"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../de/d48/a02167.html#gaa5abe9bc265b7707e37eead6ae1c2ff7">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·TVector2&lt;·T·&gt;·&amp;vector)</td></tr>
 101 <tr·class="separator:gaa5abe9bc265b7707e37eead6ae1c2ff7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>102 </table>
89 </div><!--·contents·-->103 </div><!--·contents·-->
90 <!--·start·footer·part·-->104 <!--·start·footer·part·-->
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65 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>65 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
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72 ··<div·class="headertitle"><div·class="title">pluginDialog.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">parsedFunctionDialog.h·File·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;BALL/VIEW/UIC/ui_parsedFunctionDialog.h&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../de/d3e/a01676_source.html">BALL/PLUGIN/pluginHandler.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;QtCore/QModelIndex&gt;</code><br·/>77 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>
79 </div>78 </div>
80 <p><a·href="../../d9/dda/a01289_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d9/dda/a01289_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls">80 <table·class="memberdecls">
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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92 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
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98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
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71 ··<div·class="headertitle"><div·class="title">charmmConfigurationDialog.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">colorMap.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d9/d01/a00227_source.html">BALL/MATHS/vector4.h</a>&gt;</code><br·/>
76 <code>#include·&lt;BALL/VIEW/UIC/ui_charmmConfigurationDialog.h&gt;</code><br·/>76 <code>#include·&lt;vector&gt;</code><br·/>
77 </div>77 </div>
78 <p><a·href="../../d9/de4/a01346_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d9/de4/a01346_source.html">Go·to·the·source·code·of·this·file.</a></p>
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">nonlinearModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">rescoring1D.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/QSAR/regressionModel.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d0a/a02015_source.html">BALL/SCORING/FUNCTIONS/rescoring.h</a>&gt;</code><br·/>
75 </div>75 </div>
76 <p><a·href="../../d9/de8/a02006_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../d9/de8/a02006_source.html">Go·to·the·source·code·of·this·file.</a></p>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../db/d07/a03779.html">List·of·all·members</a>··</div>71 <a·href="../../db/d07/a03779.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::RotateBond·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::RotateBond·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d1e/a00497_source.html">BALL/DOCKING/GENETICDOCK/rotateBond.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/db6/a01556_source.html">BALL/DOCKING/GENETICDOCK/rotateBond.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:a585982a39ec79c7ff0fea42d37ad1001"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a03782.html#a585982a39ec79c7ff0fea42d37ad1001">RotateBond</a>·()</td></tr>79 <tr·class="memitem:a585982a39ec79c7ff0fea42d37ad1001"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a03782.html#a585982a39ec79c7ff0fea42d37ad1001">RotateBond</a>·()</td></tr>
80 <tr·class="separator:a585982a39ec79c7ff0fea42d37ad1001"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a585982a39ec79c7ff0fea42d37ad1001"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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82 <tr·class="separator:aeaf013c5217c7f83b07662c1e71b781c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:aeaf013c5217c7f83b07662c1e71b781c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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99 <tr·class="separator:a3d493c137fa18eb000bbe9666ffc1bc8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:a3d493c137fa18eb000bbe9666ffc1bc8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 <tr·class="memitem:a4af87a6b03b2454a85da29b79e61de89"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a03782.html#a4af87a6b03b2454a85da29b79e61de89">operator&lt;</a>·(const·<a·class="el"·href="../../d9/df0/a03782.html">RotateBond</a>·&amp;rb)</td></tr>100 <tr·class="memitem:a4af87a6b03b2454a85da29b79e61de89"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a03782.html#a4af87a6b03b2454a85da29b79e61de89">operator&lt;</a>·(const·<a·class="el"·href="../../d9/df0/a03782.html">RotateBond</a>·&amp;rb)</td></tr>
101 <tr·class="separator:a4af87a6b03b2454a85da29b79e61de89"><td·class="memSeparator"·colspan="2">&#160;</td></tr>101 <tr·class="separator:a4af87a6b03b2454a85da29b79e61de89"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 </table>102 </table>
103 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>103 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
104 <div·class="textblock">104 <div·class="textblock">
105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d1e/a00497_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d4/d1e/a00497_source.html">rotateBond.h</a>.</p>105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/db6/a01556_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d7/db6/a01556_source.html">rotateBond.h</a>.</p>
106 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>106 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
107 <a·id="a585982a39ec79c7ff0fea42d37ad1001"·name="a585982a39ec79c7ff0fea42d37ad1001"></a>107 <a·id="a585982a39ec79c7ff0fea42d37ad1001"·name="a585982a39ec79c7ff0fea42d37ad1001"></a>
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72 ··<div·class="headertitle"><div·class="title">BALL::HBondProcessor::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::HBondProcessor::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../d9/df0/a06926.html"·title="Option·names.">Option</a>·names.··75 <p><a·class="el"·href="../../d9/df0/a06926.html"·title="Option·names.">Option</a>·names.··
76 ·<a·href="../../d9/df0/a06926.html#details">More...</a></p>76 ·<a·href="../../d9/df0/a06926.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../dc/dce/a00740_source.html">BALL/STRUCTURE/HBondProcessor.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d7/d02/a01808_source.html">BALL/STRUCTURE/HBondProcessor.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
80 Static·Public·Attributes</h2></td></tr>80 Static·Public·Attributes</h2></td></tr>
81 <tr·class="memitem:ac674d726426b32087351dca83456874d"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a06926.html#ac674d726426b32087351dca83456874d">PREDICTION_METHOD</a></td></tr>81 <tr·class="memitem:ac674d726426b32087351dca83456874d"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a06926.html#ac674d726426b32087351dca83456874d">PREDICTION_METHOD</a></td></tr>
82 <tr·class="separator:ac674d726426b32087351dca83456874d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:ac674d726426b32087351dca83456874d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a6b22484b7430d235eb4b6b81a1b5bdc5"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a06926.html#a6b22484b7430d235eb4b6b81a1b5bdc5">ADD_HBONDS</a></td></tr>83 <tr·class="memitem:a6b22484b7430d235eb4b6b81a1b5bdc5"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a06926.html#a6b22484b7430d235eb4b6b81a1b5bdc5">ADD_HBONDS</a></td></tr>
84 <tr·class="separator:a6b22484b7430d235eb4b6b81a1b5bdc5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a6b22484b7430d235eb4b6b81a1b5bdc5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 <tr·class="memitem:a43f423b9f6bcf1f599047d022fa2aec4"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a06926.html#a43f423b9f6bcf1f599047d022fa2aec4">KABSCH_SANDER_ENERGY_CUTOFF</a></td></tr>85 <tr·class="memitem:a43f423b9f6bcf1f599047d022fa2aec4"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a06926.html#a43f423b9f6bcf1f599047d022fa2aec4">KABSCH_SANDER_ENERGY_CUTOFF</a></td></tr>
86 <tr·class="separator:a43f423b9f6bcf1f599047d022fa2aec4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:a43f423b9f6bcf1f599047d022fa2aec4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table>87 </table>
88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
89 <div·class="textblock"><p·><a·class="el"·href="../../d9/df0/a06926.html"·title="Option·names.">Option</a>·names.·</p>89 <div·class="textblock"><p·><a·class="el"·href="../../d9/df0/a06926.html"·title="Option·names.">Option</a>·names.·</p>
  
90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00138">138</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">HBondProcessor.h</a>.</p>90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d02/a01808_source.html#l00138">138</a>·of·file·<a·class="el"·href="../../d7/d02/a01808_source.html">HBondProcessor.h</a>.</p>
91 </div><h2·class="groupheader">Member·Data·Documentation</h2>91 </div><h2·class="groupheader">Member·Data·Documentation</h2>
92 <a·id="a6b22484b7430d235eb4b6b81a1b5bdc5"·name="a6b22484b7430d235eb4b6b81a1b5bdc5"></a>92 <a·id="a6b22484b7430d235eb4b6b81a1b5bdc5"·name="a6b22484b7430d235eb4b6b81a1b5bdc5"></a>
93 <h2·class="memtitle"><span·class="permalink"><a·href="#a6b22484b7430d235eb4b6b81a1b5bdc5">&#9670;&nbsp;</a></span>ADD_HBONDS</h2>93 <h2·class="memtitle"><span·class="permalink"><a·href="#a6b22484b7430d235eb4b6b81a1b5bdc5">&#9670;&nbsp;</a></span>ADD_HBONDS</h2>
  
94 <div·class="memitem">94 <div·class="memitem">
95 <div·class="memproto">95 <div·class="memproto">
96 <table·class="mlabels">96 <table·class="mlabels">
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109 ··<td·class="mlabels-right">109 ··<td·class="mlabels-right">
110 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>110 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
111 ··</tr>111 ··</tr>
112 </table>112 </table>
113 </div><div·class="memdoc">113 </div><div·class="memdoc">
114 <p·>add·bonds·to·the·system·</p>114 <p·>add·bonds·to·the·system·</p>
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00146">146</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">HBondProcessor.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d02/a01808_source.html#l00146">146</a>·of·file·<a·class="el"·href="../../d7/d02/a01808_source.html">HBondProcessor.h</a>.</p>
  
116 </div>116 </div>
117 </div>117 </div>
118 <a·id="a43f423b9f6bcf1f599047d022fa2aec4"·name="a43f423b9f6bcf1f599047d022fa2aec4"></a>118 <a·id="a43f423b9f6bcf1f599047d022fa2aec4"·name="a43f423b9f6bcf1f599047d022fa2aec4"></a>
119 <h2·class="memtitle"><span·class="permalink"><a·href="#a43f423b9f6bcf1f599047d022fa2aec4">&#9670;&nbsp;</a></span>KABSCH_SANDER_ENERGY_CUTOFF</h2>119 <h2·class="memtitle"><span·class="permalink"><a·href="#a43f423b9f6bcf1f599047d022fa2aec4">&#9670;&nbsp;</a></span>KABSCH_SANDER_ENERGY_CUTOFF</h2>
  
120 <div·class="memitem">120 <div·class="memitem">
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134 ··<td·class="mlabels-right">134 ··<td·class="mlabels-right">
135 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>135 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
136 ··</tr>136 ··</tr>
137 </table>137 </table>
138 </div><div·class="memdoc">138 </div><div·class="memdoc">
139 <p·>the·energy·cutoff·for·the·Kabsch·Sander·algorithm·</p>139 <p·>the·energy·cutoff·for·the·Kabsch·Sander·algorithm·</p>
  
140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00150">150</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">HBondProcessor.h</a>.</p>140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d02/a01808_source.html#l00150">150</a>·of·file·<a·class="el"·href="../../d7/d02/a01808_source.html">HBondProcessor.h</a>.</p>
  
141 </div>141 </div>
142 </div>142 </div>
143 <a·id="ac674d726426b32087351dca83456874d"·name="ac674d726426b32087351dca83456874d"></a>143 <a·id="ac674d726426b32087351dca83456874d"·name="ac674d726426b32087351dca83456874d"></a>
144 <h2·class="memtitle"><span·class="permalink"><a·href="#ac674d726426b32087351dca83456874d">&#9670;&nbsp;</a></span>PREDICTION_METHOD</h2>144 <h2·class="memtitle"><span·class="permalink"><a·href="#ac674d726426b32087351dca83456874d">&#9670;&nbsp;</a></span>PREDICTION_METHOD</h2>
  
145 <div·class="memitem">145 <div·class="memitem">
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159 ··<td·class="mlabels-right">159 ··<td·class="mlabels-right">
160 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>160 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
161 ··</tr>161 ··</tr>
162 </table>162 </table>
163 </div><div·class="memdoc">163 </div><div·class="memdoc">
164 <p·>the·hydrogen·bond·prediction·criterion·used·</p>164 <p·>the·hydrogen·bond·prediction·criterion·used·</p>
  
165 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00142">142</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">HBondProcessor.h</a>.</p>165 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d02/a01808_source.html#l00142">142</a>·of·file·<a·class="el"·href="../../d7/d02/a01808_source.html">HBondProcessor.h</a>.</p>
  
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../da/de2/a03067.html">List·of·all·members</a>··</div>71 <a·href="../../da/de2/a03067.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidRange·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidRange·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Exception::InvalidRange:</div>77 Inheritance·diagram·for·BALL::Exception::InvalidRange:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../d9/df4/a03070.png"·usemap="#BALL::Exception::InvalidRange_map"·alt=""/>80 ··<img·src="../../d9/df4/a03070.png"·usemap="#BALL::Exception::InvalidRange_map"·alt=""/>
81 ··<map·id="BALL::Exception::InvalidRange_map"·name="BALL::Exception::InvalidRange_map">81 ··<map·id="BALL::Exception::InvalidRange_map"·name="BALL::Exception::InvalidRange_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>Invalid·range.·Use·this·exception·to·indicate·a·general·range·problems.·</p>136 <div·class="textblock"><p·>Invalid·range.·Use·this·exception·to·indicate·a·general·range·problems.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00187">187</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00187">187</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="a1572e60de8465040e3ce80c3cb6e5f62"·name="a1572e60de8465040e3ce80c3cb6e5f62"></a>139 <a·id="a1572e60de8465040e3ce80c3cb6e5f62"·name="a1572e60de8465040e3ce80c3cb6e5f62"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a1572e60de8465040e3ce80c3cb6e5f62">&#9670;&nbsp;</a></span>InvalidRange()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a1572e60de8465040e3ce80c3cb6e5f62">&#9670;&nbsp;</a></span>InvalidRange()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
142 <div·class="memproto">142 <div·class="memproto">
143 ······<table·class="memname">143 ······<table·class="memname">
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8 <title>BALL:·dockWidget.h·File·Reference</title>8 <title>BALL:·structurePreparer.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">dockWidget.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">structurePreparer.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../db/d4b/a01883_source.html">BALL/STRUCTURE/addHydrogenProcessor.h</a>&gt;</code><br·/>
75 <code>#include·&lt;QtWidgets/QDockWidget&gt;</code><br·/> 
76 <code>#include·&lt;QtGui/QDropEvent&gt;</code><br·/> 
77 <code>#include·&lt;QtGui/QMouseEvent&gt;</code><br·/>76 <code>#include·&lt;set&gt;</code><br·/>
78 <code>#include·&lt;QtWidgets/QGridLayout&gt;</code><br·/> 
79 </div>77 </div>
80 <p><a·href="../../d9/df5/a01574_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../d9/df5/a01574_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls">79 <table·class="memberdecls">
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d6b/a08378.html">BALL::VIEW::DockWidget</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d08/a03730.html">BALL::StructurePreparer</a></td></tr>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d0f/a01727_source.html">BALL/STRUCTURE/atomBijection.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../dc/dd2/a01604_source.html">BALL/CONCEPT/baseFunctor.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
77 </div>76 </div>
78 <p><a·href="../../d9/df5/a01673_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../d9/df5/a01673_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">78 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>
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66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">autoDeletable.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">shiftModule.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;BALL/CONFIG/config.h&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d1/dd8/a01022_source.html">BALL/COMMON/debug.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
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77 <code>#include·&lt;cstdlib&gt;</code><br·/> 
78 <code>#include·&lt;new&gt;</code><br·/> 
79 <code>#include·&lt;iostream&gt;</code><br·/> 
80 <code>#include·&lt;BALL/CONCEPT/autoDeletable.iC&gt;</code><br·/> 
81 </div>78 </div>
82 <p><a·href="../../d9/dfd/a01610_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../d9/dfd/a01610_source.html">Go·to·the·source·code·of·this·file.</a></p>
83 <table·class="memberdecls">80 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
85 Classes</h2></td></tr>82 Classes</h2></td></tr>
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html">BALL::AutoDeletable</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a05538.html">BALL::ShiftModule</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table><table·class="memberdecls">85 </table><table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
90 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../dc/df1/a07747.html">List·of·all·members</a>··</div>71 <a·href="../../dc/df1/a07747.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ButtonEvent·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ButtonEvent·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dc/dd9/a01268_source.html">BALL/VIEW/INPUT/buttonEvent.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d1/d72/a01319_source.html">BALL/VIEW/INPUT/buttonEvent.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::ButtonEvent:</div>77 Inheritance·diagram·for·BALL::VIEW::ButtonEvent:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../da/d03/a07750.png"·usemap="#BALL::VIEW::ButtonEvent_map"·alt=""/>80 ··<img·src="../../da/d03/a07750.png"·usemap="#BALL::VIEW::ButtonEvent_map"·alt=""/>
81 ··<map·id="BALL::VIEW::ButtonEvent_map"·name="BALL::VIEW::ButtonEvent_map">81 ··<map·id="BALL::VIEW::ButtonEvent_map"·name="BALL::VIEW::ButtonEvent_map">
82 <area·href="../../dc/dbf/a07754.html"·alt="BALL::VIEW::DeviceEvent"·shape="rect"·coords="0,56,158,80"/>82 <area·href="../../dc/dbf/a07754.html"·alt="BALL::VIEW::DeviceEvent"·shape="rect"·coords="0,56,158,80"/>
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100 <tr·class="separator:ad4a190d3316f5f7ff80708e371d57fac·inherit·pub_methods_a07754"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:ad4a190d3316f5f7ff80708e371d57fac·inherit·pub_methods_a07754"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 <tr·class="memitem:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbf/a07754.html#a9782e224d9fccb38e5e600ef01fe35a7">getDevice</a>·()</td></tr>101 <tr·class="memitem:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbf/a07754.html#a9782e224d9fccb38e5e600ef01fe35a7">getDevice</a>·()</td></tr>
102 <tr·class="separator:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 </table>103 </table>
104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
105 <div·class="textblock"><p·>This·event·encodes·button·states·of·a·custom·input·device.·It·is·emitted·when·a·button·is·either·pressed·or·released.·</p>105 <div·class="textblock"><p·>This·event·encodes·button·states·of·a·custom·input·device.·It·is·emitted·when·a·button·is·either·pressed·or·released.·</p>
  
106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dd9/a01268_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../dc/dd9/a01268_source.html">buttonEvent.h</a>.</p>106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d72/a01319_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d1/d72/a01319_source.html">buttonEvent.h</a>.</p>
107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
108 <a·id="ae09de2787f0952ab85886246b5457679"·name="ae09de2787f0952ab85886246b5457679"></a>108 <a·id="ae09de2787f0952ab85886246b5457679"·name="ae09de2787f0952ab85886246b5457679"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#ae09de2787f0952ab85886246b5457679">&#9670;&nbsp;</a></span>ButtonEvent()·<span·class="overload">[1/2]</span></h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#ae09de2787f0952ab85886246b5457679">&#9670;&nbsp;</a></span>ButtonEvent()·<span·class="overload">[1/2]</span></h2>
  
110 <div·class="memitem">110 <div·class="memitem">
111 <div·class="memproto">111 <div·class="memproto">
112 ······<table·class="memname">112 ······<table·class="memname">
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201 ··<td·class="mlabels-right">201 ··<td·class="mlabels-right">
202 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>202 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
203 ··</tr>203 ··</tr>
204 </table>204 </table>
205 </div><div·class="memdoc">205 </div><div·class="memdoc">
206 <p·>Return·the·button·that·caused·the·event.·</p>206 <p·>Return·the·button·that·caused·the·event.·</p>
  
207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dd9/a01268_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../dc/dd9/a01268_source.html">buttonEvent.h</a>.</p>207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d72/a01319_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d1/d72/a01319_source.html">buttonEvent.h</a>.</p>
  
208 </div>208 </div>
209 </div>209 </div>
210 <a·id="a7818642c58c44736ef55177bf5755b05"·name="a7818642c58c44736ef55177bf5755b05"></a>210 <a·id="a7818642c58c44736ef55177bf5755b05"·name="a7818642c58c44736ef55177bf5755b05"></a>
211 <h2·class="memtitle"><span·class="permalink"><a·href="#a7818642c58c44736ef55177bf5755b05">&#9670;&nbsp;</a></span>buttons()</h2>211 <h2·class="memtitle"><span·class="permalink"><a·href="#a7818642c58c44736ef55177bf5755b05">&#9670;&nbsp;</a></span>buttons()</h2>
  
212 <div·class="memitem">212 <div·class="memitem">
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229 ··<td·class="mlabels-right">229 ··<td·class="mlabels-right">
230 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>230 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
231 ··</tr>231 ··</tr>
232 </table>232 </table>
233 </div><div·class="memdoc">233 </div><div·class="memdoc">
234 <p·>Returns·the·state·of·the·devices·buttons·when·the·event·was·emitted.·</p>234 <p·>Returns·the·state·of·the·devices·buttons·when·the·event·was·emitted.·</p>
  
235 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dd9/a01268_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../dc/dd9/a01268_source.html">buttonEvent.h</a>.</p>235 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d72/a01319_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d1/d72/a01319_source.html">buttonEvent.h</a>.</p>
  
236 </div>236 </div>
237 </div>237 </div>
238 </div><!--·contents·-->238 </div><!--·contents·-->
239 <!--·start·footer·part·-->239 <!--·start·footer·part·-->
240 <hr·class="footer"/><address·class="footer"><small>240 <hr·class="footer"/><address·class="footer"><small>
241 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4241 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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8 <title>BALL:·displayProperties.h·File·Reference</title>8 <title>BALL:·tube.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">displayProperties.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">tube.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d2/d21/a01484_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../de/d5c/a01358_source.html">BALL/VIEW/DATATYPE/vertex2.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;BALL/VIEW/UIC/ui_displayProperties.h&gt;</code><br·/> 
79 </div>76 </div>
80 <p><a·href="../../da/d06/a01403_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../da/d06/a01403_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls">78 <table·class="memberdecls">
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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88 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
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72 ··<div·class="headertitle"><div·class="title">BALL::StructurePreparer·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::StructurePreparer·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d33/a00536_source.html">BALL/DOCKING/COMMON/structurePreparer.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01574_source.html">BALL/DOCKING/COMMON/structurePreparer.h</a>&gt;</code></p>
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80 <tr·class="separator:a90046b3b6555356d33d5943ca85518f5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a90046b3b6555356d33d5943ca85518f5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:af0632a9cd69abd062e39e6b1c9fc78dc"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d08/a03730.html#af0632a9cd69abd062e39e6b1c9fc78dc">assignAtomTypes</a>·(<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*at,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·iniFile,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·AtomType_file=&quot;&quot;)</td></tr>81 <tr·class="memitem:af0632a9cd69abd062e39e6b1c9fc78dc"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d08/a03730.html#af0632a9cd69abd062e39e6b1c9fc78dc">assignAtomTypes</a>·(<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*at,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·iniFile,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·AtomType_file=&quot;&quot;)</td></tr>
82 <tr·class="separator:af0632a9cd69abd062e39e6b1c9fc78dc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:af0632a9cd69abd062e39e6b1c9fc78dc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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104 <tr·class="memitem:a10f2191977cdd9ae47b9cd65f776be67"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d08/a03730.html#a10f2191977cdd9ae47b9cd65f776be67">setSimpleAtomTypes</a>·(std::set&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·&amp;new_types)</td></tr>104 <tr·class="memitem:a10f2191977cdd9ae47b9cd65f776be67"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d08/a03730.html#a10f2191977cdd9ae47b9cd65f776be67">setSimpleAtomTypes</a>·(std::set&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·&amp;new_types)</td></tr>
105 <tr·class="separator:a10f2191977cdd9ae47b9cd65f776be67"><td·class="memSeparator"·colspan="2">&#160;</td></tr>105 <tr·class="separator:a10f2191977cdd9ae47b9cd65f776be67"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
106 <tr·class="memitem:a958f03b36f7fb5a15473f2e50f84c682"><td·class="memItemLeft"·align="right"·valign="top">const·std::set&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d08/a03730.html#a958f03b36f7fb5a15473f2e50f84c682">getSimpleAtomTypes</a>·()</td></tr>106 <tr·class="memitem:a958f03b36f7fb5a15473f2e50f84c682"><td·class="memItemLeft"·align="right"·valign="top">const·std::set&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d08/a03730.html#a958f03b36f7fb5a15473f2e50f84c682">getSimpleAtomTypes</a>·()</td></tr>
107 <tr·class="separator:a958f03b36f7fb5a15473f2e50f84c682"><td·class="memSeparator"·colspan="2">&#160;</td></tr>107 <tr·class="separator:a958f03b36f7fb5a15473f2e50f84c682"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
108 </table>108 </table>
109 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>109 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
110 <div·class="textblock">110 <div·class="textblock">
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d33/a00536_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d4/d33/a00536_source.html">structurePreparer.h</a>.</p>111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01574_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d9/df5/a01574_source.html">structurePreparer.h</a>.</p>
112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
113 <a·id="a90046b3b6555356d33d5943ca85518f5"·name="a90046b3b6555356d33d5943ca85518f5"></a>113 <a·id="a90046b3b6555356d33d5943ca85518f5"·name="a90046b3b6555356d33d5943ca85518f5"></a>
114 <h2·class="memtitle"><span·class="permalink"><a·href="#a90046b3b6555356d33d5943ca85518f5">&#9670;&nbsp;</a></span>StructurePreparer()</h2>114 <h2·class="memtitle"><span·class="permalink"><a·href="#a90046b3b6555356d33d5943ca85518f5">&#9670;&nbsp;</a></span>StructurePreparer()</h2>
  
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8 <title>BALL:·datasetControl.h·File·Reference</title>8 <title>BALL:·surfaceModel.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_0f44562fa0092558829ef2f34049a706.html">MODELS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">datasetControl.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">surfaceModel.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d47/a01487_source.html">BALL/VIEW/MODELS/modelProcessor.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/d1b/a01583_source.html">BALL/VIEW/WIDGETS/genericControl.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d5/d12/a01799_source.html">BALL/STRUCTURE/surfaceProcessor.h</a>&gt;</code><br·/>
76 <code>#include·&lt;QtWidgets/QTreeWidgetItem&gt;</code><br·/> 
77 </div>76 </div>
78 <p><a·href="../../da/d0a/a01526_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../da/d0a/a01526_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">78 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>80 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d68/a08370.html">BALL::VIEW::DatasetControl</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d6f/a08130.html">BALL::VIEW::AddSurfaceModel</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
84 </table><table·class="memberdecls">83 </table><table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
86 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>88 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../dd/d85/a06231.html">List·of·all·members</a>··</div>71 <a·href="../../dd/d85/a06231.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::CHPI::CHGroup·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::CHPI::CHGroup·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/SCORING/COMPONENTS/CHPI.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/d14/a02066_source.html">BALL/SCORING/COMPONENTS/CHPI.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:a8a403c4a212f73292c31fe6138e74279"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d0b/a06234.html#a8a403c4a212f73292c31fe6138e74279">CHGroup</a>·()</td></tr>79 <tr·class="memitem:a8a403c4a212f73292c31fe6138e74279"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d0b/a06234.html#a8a403c4a212f73292c31fe6138e74279">CHGroup</a>·()</td></tr>
80 <tr·class="separator:a8a403c4a212f73292c31fe6138e74279"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a8a403c4a212f73292c31fe6138e74279"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a0b83b0ac9080220b838e7542b6f11b0b"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d0b/a06234.html#a0b83b0ac9080220b838e7542b6f11b0b">~CHGroup</a>·()</td></tr>81 <tr·class="memitem:a0b83b0ac9080220b838e7542b6f11b0b"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d0b/a06234.html#a0b83b0ac9080220b838e7542b6f11b0b">~CHGroup</a>·()</td></tr>
82 <tr·class="separator:a0b83b0ac9080220b838e7542b6f11b0b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a0b83b0ac9080220b838e7542b6f11b0b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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97 <tr·class="separator:aed218a91864a4188fa69aa0b9415eb99"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:aed218a91864a4188fa69aa0b9415eb99"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 <tr·class="memitem:af56f329b44fdb27b08d67246d602a8cb"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d0b/a06234.html#af56f329b44fdb27b08d67246d602a8cb">dump</a>·(std::ostream·&amp;s=std::cout)·const</td></tr>98 <tr·class="memitem:af56f329b44fdb27b08d67246d602a8cb"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d0b/a06234.html#af56f329b44fdb27b08d67246d602a8cb">dump</a>·(std::ostream·&amp;s=std::cout)·const</td></tr>
99 <tr·class="separator:af56f329b44fdb27b08d67246d602a8cb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:af56f329b44fdb27b08d67246d602a8cb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 </table>100 </table>
101 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>101 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
102 <div·class="textblock"><p·>A·class·for·storing·aliphatic·CH·groups·suitable·for·building·CH-\pi·interactions·with·aromatic·rings.·</p>102 <div·class="textblock"><p·>A·class·for·storing·aliphatic·CH·groups·suitable·for·building·CH-\pi·interactions·with·aromatic·rings.·</p>
  
103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">CHPI.h</a>.</p>103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d14/a02066_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../da/d14/a02066_source.html">CHPI.h</a>.</p>
104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
105 <a·id="a8a403c4a212f73292c31fe6138e74279"·name="a8a403c4a212f73292c31fe6138e74279"></a>105 <a·id="a8a403c4a212f73292c31fe6138e74279"·name="a8a403c4a212f73292c31fe6138e74279"></a>
106 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a403c4a212f73292c31fe6138e74279">&#9670;&nbsp;</a></span>CHGroup()·<span·class="overload">[1/3]</span></h2>106 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a403c4a212f73292c31fe6138e74279">&#9670;&nbsp;</a></span>CHGroup()·<span·class="overload">[1/3]</span></h2>
  
107 <div·class="memitem">107 <div·class="memitem">
108 <div·class="memproto">108 <div·class="memproto">
109 ······<table·class="memname">109 ······<table·class="memname">
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221 ··</td>221 ··</td>
222 ··<td·class="mlabels-right">222 ··<td·class="mlabels-right">
223 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>223 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
224 ··</tr>224 ··</tr>
225 </table>225 </table>
226 </div><div·class="memdoc">226 </div><div·class="memdoc">
  
227 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00105">105</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">CHPI.h</a>.</p>227 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d14/a02066_source.html#l00105">105</a>·of·file·<a·class="el"·href="../../da/d14/a02066_source.html">CHPI.h</a>.</p>
  
228 </div>228 </div>
229 </div>229 </div>
230 <a·id="acc71c9f99ca434b2b574954363ab0c50"·name="acc71c9f99ca434b2b574954363ab0c50"></a>230 <a·id="acc71c9f99ca434b2b574954363ab0c50"·name="acc71c9f99ca434b2b574954363ab0c50"></a>
231 <h2·class="memtitle"><span·class="permalink"><a·href="#acc71c9f99ca434b2b574954363ab0c50">&#9670;&nbsp;</a></span>getHAtom()</h2>231 <h2·class="memtitle"><span·class="permalink"><a·href="#acc71c9f99ca434b2b574954363ab0c50">&#9670;&nbsp;</a></span>getHAtom()</h2>
  
232 <div·class="memitem">232 <div·class="memitem">
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248 ··</td>248 ··</td>
249 ··<td·class="mlabels-right">249 ··<td·class="mlabels-right">
250 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>250 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
251 ··</tr>251 ··</tr>
252 </table>252 </table>
253 </div><div·class="memdoc">253 </div><div·class="memdoc">
  
254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00099">99</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">CHPI.h</a>.</p>254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d14/a02066_source.html#l00099">99</a>·of·file·<a·class="el"·href="../../da/d14/a02066_source.html">CHPI.h</a>.</p>
  
255 </div>255 </div>
256 </div>256 </div>
257 <a·id="aca64c70c49e0e84eb04ce5f35d3913aa"·name="aca64c70c49e0e84eb04ce5f35d3913aa"></a>257 <a·id="aca64c70c49e0e84eb04ce5f35d3913aa"·name="aca64c70c49e0e84eb04ce5f35d3913aa"></a>
258 <h2·class="memtitle"><span·class="permalink"><a·href="#aca64c70c49e0e84eb04ce5f35d3913aa">&#9670;&nbsp;</a></span>setAtoms()</h2>258 <h2·class="memtitle"><span·class="permalink"><a·href="#aca64c70c49e0e84eb04ce5f35d3913aa">&#9670;&nbsp;</a></span>setAtoms()</h2>
  
259 <div·class="memitem">259 <div·class="memitem">
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70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../dc/d33/a07259.html">List·of·all·members</a>··</div>71 <a·href="../../dc/d33/a07259.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::SmilesParser::State·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SmilesParser::State·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d8/db9/a00725_source.html">BALL/STRUCTURE/smilesParser.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d3/dce/a01859_source.html">BALL/STRUCTURE/smilesParser.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
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77 <p><code>#include·&lt;<a·class="el"·href="../../db/d29/a01895_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code></p>
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73 <div·class="contents">73 <div·class="contents">
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 75 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a02039_source.html">BALL/QSAR/descriptor.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d3/d29/a00419_source.html">BALL/QSAR/ringPerceptionProcessor.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../df/d15/a00416_source.html">BALL/QSAR/aromaticityProcessor.h</a>&gt;</code><br·/>
76 </div>79 </div>
77 <p><a·href="../../da/d14/a02066_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../da/d14/a02066_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">81 <table·class="memberdecls">
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80 Classes</h2></td></tr>83 Classes</h2></td></tr>
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86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
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72 ··<div·class="headertitle"><div·class="title">BALL::CrystalGenerator::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::CrystalGenerator::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d26/a01700_source.html">BALL/XRAY/crystalGenerator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dc/df1/a00662_source.html">BALL/XRAY/crystalGenerator.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
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78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:ae6bc42f8e72df4f621087f7a755cf6a8"><td·class="memItemLeft"·align="right"·valign="top">static·const·string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d14/a08582.html#ae6bc42f8e72df4f621087f7a755cf6a8">SPACE_GROUP_FILE</a></td></tr>79 <tr·class="memitem:ae6bc42f8e72df4f621087f7a755cf6a8"><td·class="memItemLeft"·align="right"·valign="top">static·const·string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d14/a08582.html#ae6bc42f8e72df4f621087f7a755cf6a8">SPACE_GROUP_FILE</a></td></tr>
80 <tr·class="separator:ae6bc42f8e72df4f621087f7a755cf6a8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:ae6bc42f8e72df4f621087f7a755cf6a8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock"><p·><a·class="el"·href="../../da/d14/a08582.html">Default</a>·Names·</p>83 <div·class="textblock"><p·><a·class="el"·href="../../da/d14/a08582.html">Default</a>·Names·</p>
  
84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d26/a01700_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../d4/d26/a01700_source.html">crystalGenerator.h</a>.</p>84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df1/a00662_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../dc/df1/a00662_source.html">crystalGenerator.h</a>.</p>
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103 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>103 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
104 ··</tr>104 ··</tr>
105 </table>105 </table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
107 <p·>The·default·filename·for·the·space·group·mappings·file·</p>107 <p·>The·default·filename·for·the·space·group·mappings·file·</p>
  
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d26/a01700_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../d4/d26/a01700_source.html">crystalGenerator.h</a>.</p>108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df1/a00662_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../dc/df1/a00662_source.html">crystalGenerator.h</a>.</p>
  
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65 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>65 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>
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73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
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 76 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d6/d8d/a01007_source.html">BALL/VIEW/KERNEL/connectionObject.h</a>&gt;</code><br·/>
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d80/a01076_source.html">BALL/VIEW/KERNEL/representation.h</a>&gt;</code><br·/>78 <code>#include·&lt;<a·class="el"·href="../../d0/d2b/a01010_source.html">BALL/VIEW/KERNEL/representationManager.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d7/d59/a01013_source.html">BALL/VIEW/KERNEL/compositeManager.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../d2/d49/a01067_source.html">BALL/VIEW/KERNEL/shortcutRegistry.h</a>&gt;</code><br·/>
 81 <code>#include·&lt;<a·class="el"·href="../../dd/d48/a00995_source.html">BALL/VIEW/KERNEL/UIOperationMode.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d5/dd3/a00902_source.html">BALL/FORMAT/INIFile.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../de/db5/a01730_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../df/d9a/a01715_source.html">BALL/STRUCTURE/fragmentDB.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;QtGui/QKeySequence&gt;</code><br·/>
 86 <code>#include·&lt;QtWidgets/QMainWindow&gt;</code><br·/>
77 <code>#include·&lt;QtCore/QCoreApplication&gt;</code><br·/>87 <code>#include·&lt;QtWidgets/QApplication&gt;</code><br·/>
 88 <code>#include·&lt;QtWidgets/QMenuBar&gt;</code><br·/>
 89 <code>#include·&lt;QtWidgets/QLabel&gt;</code><br·/>
78 <code>#include·&lt;QtCore/QWaitCondition&gt;</code><br·/>90 <code>#include·&lt;QtCore/QTimer&gt;</code><br·/>
79 <code>#include·&lt;vector&gt;</code><br·/>91 <code>#include·&lt;BALL/VIEW/KERNEL/mainControl.iC&gt;</code><br·/>
80 </div>92 </div>
81 <p><a·href="../../da/d17/a01046_source.html">Go·to·the·source·code·of·this·file.</a></p>93 <p><a·href="../../da/d17/a01046_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls">94 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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71 ··<div·class="headertitle"><div·class="title">line3.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">defaultProcessors.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
76 </div>79 </div>
77 <p><a·href="../../da/d18/a01850_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../da/d18/a01850_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">81 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>83 Classes</h2></td></tr>
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81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/daa/a04862.html">BALL::TLine3&lt;·T·&gt;</a></td></tr>86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d97/a06842.html">BALL::ClearRadiusProcessor</a></td></tr>
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85 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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88 </table><table·class="memberdecls"> 
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Storers</h2></td></tr> 
90 <tr·class="memitem:ga3777f89390952c2d8e760c1d84df8d5f"><td·class="memItemLeft"·align="right"·valign="top">typedef·TLine3&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga3777f89390952c2d8e760c1d84df8d5f">BALL::Line3</a></td></tr> 
91 <tr·class="separator:ga3777f89390952c2d8e760c1d84df8d5f"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
92 <tr·class="memitem:ga723eeb0a794fb25edf492bd37bf78243"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
93 <tr·class="memitem:ga723eeb0a794fb25edf492bd37bf78243"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga723eeb0a794fb25edf492bd37bf78243">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·TLine3&lt;·T·&gt;·&amp;line)</td></tr> 
94 <tr·class="separator:ga723eeb0a794fb25edf492bd37bf78243"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 <tr·class="memitem:gac5568e56795faccf490a92f96a120407"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
96 <tr·class="memitem:gac5568e56795faccf490a92f96a120407"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gac5568e56795faccf490a92f96a120407">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·TLine3&lt;·T·&gt;·&amp;line)</td></tr> 
97 <tr·class="separator:gac5568e56795faccf490a92f96a120407"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_0f44562fa0092558829ef2f34049a706.html">MODELS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">vanDerWaalsModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">editSettings.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d61/a01205_source.html">BALL/VIEW/MODELS/atomBondModelBaseProcessor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;BALL/VIEW/UIC/ui_editSettings.h&gt;</code><br·/>
 77 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/>
75 </div>78 </div>
76 <p><a·href="../../da/d19/a01217_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../da/d19/a01217_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">80 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>82 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d3a/a08134.html">BALL::VIEW::AddVanDerWaalsModel</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/db4/a07594.html">BALL::VIEW::EditSettings</a></td></tr>
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84 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
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71 <a·href="../../da/dbe/a03091.html">List·of·all·members</a>··</div>71 <a·href="../../da/dbe/a03091.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidIterator·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidIterator·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Exception::InvalidIterator:</div>77 Inheritance·diagram·for·BALL::Exception::InvalidIterator:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../da/d19/a03094.png"·usemap="#BALL::Exception::InvalidIterator_map"·alt=""/>80 ··<img·src="../../da/d19/a03094.png"·usemap="#BALL::Exception::InvalidIterator_map"·alt=""/>
81 ··<map·id="BALL::Exception::InvalidIterator_map"·name="BALL::Exception::InvalidIterator_map">81 ··<map·id="BALL::Exception::InvalidIterator_map"·name="BALL::Exception::InvalidIterator_map">
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>Invalid·iterator.·The·iterator·on·which·an·operation·should·be·performed·was·invalid.·</p>136 <div·class="textblock"><p·>Invalid·iterator.·The·iterator·on·which·an·operation·should·be·performed·was·invalid.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00268">268</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00268">268</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="ac135b0db68723428ec9ff7aba88c1163"·name="ac135b0db68723428ec9ff7aba88c1163"></a>139 <a·id="ac135b0db68723428ec9ff7aba88c1163"·name="ac135b0db68723428ec9ff7aba88c1163"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#ac135b0db68723428ec9ff7aba88c1163">&#9670;&nbsp;</a></span>InvalidIterator()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#ac135b0db68723428ec9ff7aba88c1163">&#9670;&nbsp;</a></span>InvalidIterator()</h2>
  
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73 ··<div·class="headertitle"><div·class="title">BALL::BondOrderAssignmentStrategy·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::BondOrderAssignmentStrategy·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p>Base·class·for·bond·order·assignment·algorithms.··76 <p>Base·class·for·bond·order·assignment·algorithms.··
77 ·<a·href="../../da/d1a/a06726.html#details">More...</a></p>77 ·<a·href="../../da/d1a/a06726.html#details">More...</a></p>
  
78 <p><code>#include·&lt;<a·class="el"·href="../../dc/d4d/a00620_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignmentStrategy.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../d6/d53/a01688_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignmentStrategy.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
80 Inheritance·diagram·for·BALL::BondOrderAssignmentStrategy:</div>80 Inheritance·diagram·for·BALL::BondOrderAssignmentStrategy:</div>
81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../da/d1a/a06726.png"·usemap="#BALL::BondOrderAssignmentStrategy_map"·alt=""/>83 ··<img·src="../../da/d1a/a06726.png"·usemap="#BALL::BondOrderAssignmentStrategy_map"·alt=""/>
84 ··<map·id="BALL::BondOrderAssignmentStrategy_map"·name="BALL::BondOrderAssignmentStrategy_map">84 ··<map·id="BALL::BondOrderAssignmentStrategy_map"·name="BALL::BondOrderAssignmentStrategy_map">
85 <area·href="../../d2/da4/a06706.html"·alt="BALL::AStarBondOrderStrategy"·shape="rect"·coords="0,56,259,80"/>85 <area·href="../../d2/da4/a06706.html"·alt="BALL::AStarBondOrderStrategy"·shape="rect"·coords="0,56,259,80"/>
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113 <tr·class="memdesc:aa427f3b20a4a069c6823048a3c374c89"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Our·parent·processor.··<a·href="../../da/d1a/a06726.html#aa427f3b20a4a069c6823048a3c374c89">More...</a><br·/></td></tr>113 <tr·class="memdesc:aa427f3b20a4a069c6823048a3c374c89"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Our·parent·processor.··<a·href="../../da/d1a/a06726.html#aa427f3b20a4a069c6823048a3c374c89">More...</a><br·/></td></tr>
114 <tr·class="separator:aa427f3b20a4a069c6823048a3c374c89"><td·class="memSeparator"·colspan="2">&#160;</td></tr>114 <tr·class="separator:aa427f3b20a4a069c6823048a3c374c89"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
115 </table>115 </table>
116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
117 <div·class="textblock"><p·>Base·class·for·bond·order·assignment·algorithms.·</p>117 <div·class="textblock"><p·>Base·class·for·bond·order·assignment·algorithms.·</p>
118 <p·>This·class·forms·the·base·of·a·hierarchy·of·solution·strategies·for·the·bond·order·assignment·problem.·In·itself,·the·class·is·not·terribly·useful.·Instead,·it·defines·the·interface·for·the·algorithms·used·by·the·<a·class="el"·href="../../dd/da3/a06634.html">AssignBondOrderProcessor·</a>·which·follows·the·strategy·pattern.·</p>118 <p·>This·class·forms·the·base·of·a·hierarchy·of·solution·strategies·for·the·bond·order·assignment·problem.·In·itself,·the·class·is·not·terribly·useful.·Instead,·it·defines·the·interface·for·the·algorithms·used·by·the·<a·class="el"·href="../../dd/da3/a06634.html">AssignBondOrderProcessor·</a>·which·follows·the·strategy·pattern.·</p>
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d4d/a00620_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../dc/d4d/a00620_source.html">bondOrderAssignmentStrategy.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d53/a01688_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d6/d53/a01688_source.html">bondOrderAssignmentStrategy.h</a>.</p>
120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
121 <a·id="af8ec9a63eadf0967c4c7d674d20391b1"·name="af8ec9a63eadf0967c4c7d674d20391b1"></a>121 <a·id="af8ec9a63eadf0967c4c7d674d20391b1"·name="af8ec9a63eadf0967c4c7d674d20391b1"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#af8ec9a63eadf0967c4c7d674d20391b1">&#9670;&nbsp;</a></span>BondOrderAssignmentStrategy()</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#af8ec9a63eadf0967c4c7d674d20391b1">&#9670;&nbsp;</a></span>BondOrderAssignmentStrategy()</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
124 <div·class="memproto">124 <div·class="memproto">
125 ······<table·class="memname">125 ······<table·class="memname">
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285 ··········<td·class="memname"><a·class="el"·href="../../dd/da3/a06634.html">AssignBondOrderProcessor</a>*·BALL::BondOrderAssignmentStrategy::abop</td>285 ··········<td·class="memname"><a·class="el"·href="../../dd/da3/a06634.html">AssignBondOrderProcessor</a>*·BALL::BondOrderAssignmentStrategy::abop</td>
286 ········</tr>286 ········</tr>
287 ······</table>287 ······</table>
288 </div><div·class="memdoc">288 </div><div·class="memdoc">
  
289 <p>Our·parent·processor.·</p>289 <p>Our·parent·processor.·</p>
  
290 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d4d/a00620_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../dc/d4d/a00620_source.html">bondOrderAssignmentStrategy.h</a>.</p>290 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d53/a01688_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d6/d53/a01688_source.html">bondOrderAssignmentStrategy.h</a>.</p>
  
291 </div>291 </div>
292 </div>292 </div>
293 </div><!--·contents·-->293 </div><!--·contents·-->
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d0/d47/a05819.html">List·of·all·members</a>··</div>70 <a·href="../../d0/d47/a05819.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::PLSModel·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::PLSModel·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d7/db2/a02036_source.html">BALL/QSAR/plsModel.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d0/d29/a00470_source.html">BALL/QSAR/plsModel.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::QSAR::PLSModel:</div>76 Inheritance·diagram·for·BALL::QSAR::PLSModel:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../da/d1d/a05822.png"·usemap="#BALL::QSAR::PLSModel_map"·alt=""/>79 ··<img·src="../../da/d1d/a05822.png"·usemap="#BALL::QSAR::PLSModel_map"·alt=""/>
80 ··<map·id="BALL::QSAR::PLSModel_map"·name="BALL::QSAR::PLSModel_map">80 ··<map·id="BALL::QSAR::PLSModel_map"·name="BALL::QSAR::PLSModel_map">
81 <area·href="../../d7/db7/a05762.html"·alt="BALL::QSAR::LinearModel"·shape="rect"·coords="0,112,207,136"/>81 <area·href="../../d7/db7/a05762.html"·alt="BALL::QSAR::LinearModel"·shape="rect"·coords="0,112,207,136"/>
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267 <tr·class="memitem:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a176571ffb47e2bd28ab17a4ef939daa7">addLambda</a>·(Eigen::MatrixXd·&amp;matrix,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;lambda)</td></tr>267 <tr·class="memitem:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a176571ffb47e2bd28ab17a4ef939daa7">addLambda</a>·(Eigen::MatrixXd·&amp;matrix,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;lambda)</td></tr>
268 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>268 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
269 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>269 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>
270 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>270 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
271 </table>271 </table>
272 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>272 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
273 <div·class="textblock">273 <div·class="textblock">
274 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/db2/a02036_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d7/db2/a02036_source.html">plsModel.h</a>.</p>274 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d29/a00470_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d0/d29/a00470_source.html">plsModel.h</a>.</p>
275 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>275 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
276 <a·id="af0b55e00bc3d78b7e2c9f1cbb7c1ac09"·name="af0b55e00bc3d78b7e2c9f1cbb7c1ac09"></a>276 <a·id="af0b55e00bc3d78b7e2c9f1cbb7c1ac09"·name="af0b55e00bc3d78b7e2c9f1cbb7c1ac09"></a>
277 <h2·class="memtitle"><span·class="permalink"><a·href="#af0b55e00bc3d78b7e2c9f1cbb7c1ac09">&#9670;&nbsp;</a></span>PLSModel()</h2>277 <h2·class="memtitle"><span·class="permalink"><a·href="#af0b55e00bc3d78b7e2c9f1cbb7c1ac09">&#9670;&nbsp;</a></span>PLSModel()</h2>
  
278 <div·class="memitem">278 <div·class="memitem">
279 <div·class="memproto">279 <div·class="memproto">
280 ······<table·class="memname">280 ······<table·class="memname">
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515 ··</td>515 ··</td>
516 ··<td·class="mlabels-right">516 ··<td·class="mlabels-right">
517 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>517 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
518 ··</tr>518 ··</tr>
519 </table>519 </table>
520 </div><div·class="memdoc">520 </div><div·class="memdoc">
  
521 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/db2/a02036_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../d7/db2/a02036_source.html">plsModel.h</a>.</p>521 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d29/a00470_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../d0/d29/a00470_source.html">plsModel.h</a>.</p>
  
522 </div>522 </div>
523 </div>523 </div>
524 <a·id="a54ce2fc9026307321ee15564584c0f4f"·name="a54ce2fc9026307321ee15564584c0f4f"></a>524 <a·id="a54ce2fc9026307321ee15564584c0f4f"·name="a54ce2fc9026307321ee15564584c0f4f"></a>
525 <h2·class="memtitle"><span·class="permalink"><a·href="#a54ce2fc9026307321ee15564584c0f4f">&#9670;&nbsp;</a></span>U_</h2>525 <h2·class="memtitle"><span·class="permalink"><a·href="#a54ce2fc9026307321ee15564584c0f4f">&#9670;&nbsp;</a></span>U_</h2>
  
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539 ··</td>539 ··</td>
540 ··<td·class="mlabels-right">540 ··<td·class="mlabels-right">
541 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>541 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
542 ··</tr>542 ··</tr>
543 </table>543 </table>
544 </div><div·class="memdoc">544 </div><div·class="memdoc">
  
545 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/db2/a02036_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d7/db2/a02036_source.html">plsModel.h</a>.</p>545 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d29/a00470_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d0/d29/a00470_source.html">plsModel.h</a>.</p>
  
546 </div>546 </div>
547 </div>547 </div>
548 </div><!--·contents·-->548 </div><!--·contents·-->
549 <!--·start·footer·part·-->549 <!--·start·footer·part·-->
550 <hr·class="footer"/><address·class="footer"><small>550 <hr·class="footer"/><address·class="footer"><small>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_bdf615705158bdb9ef48f1578bccfd92.html">PYTHON</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c153eaa5b1a7273a1076ed00b51614f.html">EXTENSIONS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
 69 <a·href="#nested-classes">Classes</a>·&#124;
69 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
70 <a·href="#func-members">Functions</a>··</div> 
71 ··<div·class="headertitle"><div·class="title">pyBALLSipHelper.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">quadraticImproperTorsion.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d9/db6/a00146_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>
75 </div>76 </div>
76 <p><a·href="../../da/d1e/a00149_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../da/d1e/a00149_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">78 <table·class="memberdecls">
 79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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 82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da5/a05434.html">BALL::QuadraticImproperTorsion::Values</a></td></tr>
 84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
79 Namespaces</h2></td></tr>89 Namespaces</h2></td></tr>
80 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls"> 
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
84 Functions</h2></td></tr> 
85 <tr·class="memitem:gadaecdf15c1cc71154c004ab58fea3aec"><td·class="memItemLeft"·align="right"·valign="top">PyObject·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/ddd/a02184.html#gadaecdf15c1cc71154c004ab58fea3aec">BALL::pyMapBALLObjectToSip</a>·(Composite·&amp;object)</td></tr> 
86 <tr·class="separator:gadaecdf15c1cc71154c004ab58fea3aec"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
87 </table>92 </table>
88 </div><!--·contents·-->93 </div><!--·contents·-->
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">pubchemDownloader.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">ruleEvaluator.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../dc/df9/a00554_source.html">BALL/KERNEL/expression.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;list&gt;</code><br·/>
 77 <code>#include·&lt;utility&gt;</code><br·/>
75 </div>78 </div>
76 <p><a·href="../../da/d24/a00068_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../da/d24/a00068_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">80 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>82 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d4c/a04422.html">BALL::PubChemDownloader</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d94/a05102.html">BALL::RuleEvaluator</a></td></tr>
81 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Downloads·PubChem·entries.··<a·href="../../d0/d4c/a04422.html#details">More...</a><br·/></td></tr> 
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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85 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../de/dde/a07107.html">List·of·all·members</a>··</div>71 <a·href="../../de/dde/a07107.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::RMSDMinimizer::TooFewCoordinates·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::RMSDMinimizer::TooFewCoordinates·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d95/a00779_source.html">BALL/STRUCTURE/RMSDMinimizer.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/STRUCTURE/RMSDMinimizer.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::RMSDMinimizer::TooFewCoordinates:</div>77 Inheritance·diagram·for·BALL::RMSDMinimizer::TooFewCoordinates:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../da/d25/a07110.png"·usemap="#BALL::RMSDMinimizer::TooFewCoordinates_map"·alt=""/>80 ··<img·src="../../da/d25/a07110.png"·usemap="#BALL::RMSDMinimizer::TooFewCoordinates_map"·alt=""/>
81 ··<map·id="BALL::RMSDMinimizer::TooFewCoordinates_map"·name="BALL::RMSDMinimizer::TooFewCoordinates_map">81 ··<map·id="BALL::RMSDMinimizer::TooFewCoordinates_map"·name="BALL::RMSDMinimizer::TooFewCoordinates_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,258,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,258,80"/>
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134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock">136 <div·class="textblock">
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d95/a00779_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d3/d95/a00779_source.html">RMSDMinimizer.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">RMSDMinimizer.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="a647a3b35e98e0c12088773415c9c1624"·name="a647a3b35e98e0c12088773415c9c1624"></a>139 <a·id="a647a3b35e98e0c12088773415c9c1624"·name="a647a3b35e98e0c12088773415c9c1624"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a647a3b35e98e0c12088773415c9c1624">&#9670;&nbsp;</a></span>TooFewCoordinates()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a647a3b35e98e0c12088773415c9c1624">&#9670;&nbsp;</a></span>TooFewCoordinates()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
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69 ··<div·class="summary">69 ··<div·class="summary">
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71 <a·href="../../d5/dc5/a05419.html">List·of·all·members</a>··</div>71 <a·href="../../d5/dc5/a05419.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::QuadraticBondStretch::Values·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QuadraticBondStretch::Values·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d0/dad/a00806_source.html">BALL/MOLMEC/PARAMETER/quadraticBondStretch.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d9a/a00152_source.html">BALL/MOLMEC/PARAMETER/quadraticBondStretch.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/de7/a00014_source.html">BALL/FORMAT/trajectoryFile.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
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76 </div>77 </div>
77 <p><a·href="../../da/d2a/a00086_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../da/d2a/a00086_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">79 <table·class="memberdecls">
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92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d00/a05646.html">BALL::QSAR::PredictionConfiguration</a></td></tr> 
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d53/a05650.html">BALL::QSAR::ConfigIO</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d19/a06382.html">BALL::AmberEvaluation</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table><table·class="memberdecls">83 </table><table·class="memberdecls">
97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
98 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
99 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
103 </table>88 </table>
104 </div><!--·contents·-->89 </div><!--·contents·-->
105 <!--·start·footer·part·-->90 <!--·start·footer·part·-->
106 <hr·class="footer"/><address·class="footer"><small>91 <hr·class="footer"/><address·class="footer"><small>
107 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.492 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
108 </small></address>93 </small></address>
109 </body>94 </body>
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="../../d5/d2a/a08299.html">List·of·all·members</a>··</div>72 <a·href="../../d5/d2a/a08299.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RTfactRenderer·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../de/d8e/a02213.html">Renderer</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RTfactRenderer·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../de/d8e/a02213.html">Renderer</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d6/d27/a01163_source.html">BALL/VIEW/RENDERING/RENDERERS/rtfactRenderer.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d9/d8b/a01469_source.html">BALL/VIEW/RENDERING/RENDERERS/rtfactRenderer.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::RTfactRenderer:</div>78 Inheritance·diagram·for·BALL::VIEW::RTfactRenderer:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../da/d2d/a08302.png"·usemap="#BALL::VIEW::RTfactRenderer_map"·alt=""/>81 ··<img·src="../../da/d2d/a08302.png"·usemap="#BALL::VIEW::RTfactRenderer_map"·alt=""/>
82 ··<map·id="BALL::VIEW::RTfactRenderer_map"·name="BALL::VIEW::RTfactRenderer_map">82 ··<map·id="BALL::VIEW::RTfactRenderer_map"·name="BALL::VIEW::RTfactRenderer_map">
83 <area·href="../../d7/dac/a08278.html"·alt="BALL::VIEW::RaytracingRenderer"·shape="rect"·coords="0,112,200,136"/>83 <area·href="../../d7/dac/a08278.html"·alt="BALL::VIEW::RaytracingRenderer"·shape="rect"·coords="0,112,200,136"/>
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338 <tr·class="separator:a02a5d8e1883458fae778dca972df1ed6·inherit·pro_attribs_a08282"><td·class="memSeparator"·colspan="2">&#160;</td></tr>338 <tr·class="separator:a02a5d8e1883458fae778dca972df1ed6·inherit·pro_attribs_a08282"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
339 <tr·class="memitem:aeb4683041444b3d15fdca7f2a5d5ec7b·inherit·pro_attribs_a08282"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../df/d51/a08282.html#a8f0efaa5bad41c3e48e3b22e39333991">StereoMode</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d51/a08282.html#aeb4683041444b3d15fdca7f2a5d5ec7b">stereo_</a></td></tr>339 <tr·class="memitem:aeb4683041444b3d15fdca7f2a5d5ec7b·inherit·pro_attribs_a08282"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../df/d51/a08282.html#a8f0efaa5bad41c3e48e3b22e39333991">StereoMode</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d51/a08282.html#aeb4683041444b3d15fdca7f2a5d5ec7b">stereo_</a></td></tr>
340 <tr·class="separator:aeb4683041444b3d15fdca7f2a5d5ec7b·inherit·pro_attribs_a08282"><td·class="memSeparator"·colspan="2">&#160;</td></tr>340 <tr·class="separator:aeb4683041444b3d15fdca7f2a5d5ec7b·inherit·pro_attribs_a08282"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
341 </table>341 </table>
342 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>342 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
343 <div·class="textblock"><p·><a·class="el"·href="../../da/d2d/a08302.html">RTfactRenderer</a>·Provides·ray·tracing·through·RTfact-RTRemote·</p>343 <div·class="textblock"><p·><a·class="el"·href="../../da/d2d/a08302.html">RTfactRenderer</a>·Provides·ray·tracing·through·RTfact-RTRemote·</p>
  
344 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d27/a01163_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../d6/d27/a01163_source.html">rtfactRenderer.h</a>.</p>344 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d8b/a01469_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../d9/d8b/a01469_source.html">rtfactRenderer.h</a>.</p>
345 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>345 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
346 <a·id="ae6a7d37c57c9df5e90e9ab1eefd7fd5a"·name="ae6a7d37c57c9df5e90e9ab1eefd7fd5a"></a>346 <a·id="ae6a7d37c57c9df5e90e9ab1eefd7fd5a"·name="ae6a7d37c57c9df5e90e9ab1eefd7fd5a"></a>
347 <h2·class="memtitle"><span·class="permalink"><a·href="#ae6a7d37c57c9df5e90e9ab1eefd7fd5a">&#9670;&nbsp;</a></span>RTfactRenderer()</h2>347 <h2·class="memtitle"><span·class="permalink"><a·href="#ae6a7d37c57c9df5e90e9ab1eefd7fd5a">&#9670;&nbsp;</a></span>RTfactRenderer()</h2>
  
348 <div·class="memitem">348 <div·class="memitem">
349 <div·class="memproto">349 <div·class="memproto">
350 <table·class="mlabels">350 <table·class="mlabels">
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365 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>365 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
366 ··</tr>366 ··</tr>
367 </table>367 </table>
368 </div><div·class="memdoc">368 </div><div·class="memdoc">
  
369 <p>Default·Constructor.·</p>369 <p>Default·Constructor.·</p>
  
370 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d27/a01163_source.html#l00110">110</a>·of·file·<a·class="el"·href="../../d6/d27/a01163_source.html">rtfactRenderer.h</a>.</p>370 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d8b/a01469_source.html#l00110">110</a>·of·file·<a·class="el"·href="../../d9/d8b/a01469_source.html">rtfactRenderer.h</a>.</p>
  
371 </div>371 </div>
372 </div>372 </div>
373 <a·id="a3445b467cb5fe23223831c8644d7f43a"·name="a3445b467cb5fe23223831c8644d7f43a"></a>373 <a·id="a3445b467cb5fe23223831c8644d7f43a"·name="a3445b467cb5fe23223831c8644d7f43a"></a>
374 <h2·class="memtitle"><span·class="permalink"><a·href="#a3445b467cb5fe23223831c8644d7f43a">&#9670;&nbsp;</a></span>~RTfactRenderer()</h2>374 <h2·class="memtitle"><span·class="permalink"><a·href="#a3445b467cb5fe23223831c8644d7f43a">&#9670;&nbsp;</a></span>~RTfactRenderer()</h2>
  
375 <div·class="memitem">375 <div·class="memitem">
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394 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>394 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
395 ··</tr>395 ··</tr>
396 </table>396 </table>
397 </div><div·class="memdoc">397 </div><div·class="memdoc">
  
398 <p>Destructor.·</p>398 <p>Destructor.·</p>
  
399 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d27/a01163_source.html#l00117">117</a>·of·file·<a·class="el"·href="../../d6/d27/a01163_source.html">rtfactRenderer.h</a>.</p>399 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d8b/a01469_source.html#l00117">117</a>·of·file·<a·class="el"·href="../../d9/d8b/a01469_source.html">rtfactRenderer.h</a>.</p>
  
400 </div>400 </div>
401 </div>401 </div>
402 <h2·class="groupheader">Member·Function·Documentation</h2>402 <h2·class="groupheader">Member·Function·Documentation</h2>
403 <a·id="ac08f9d0c80beface4a535c1d5f670765"·name="ac08f9d0c80beface4a535c1d5f670765"></a>403 <a·id="ac08f9d0c80beface4a535c1d5f670765"·name="ac08f9d0c80beface4a535c1d5f670765"></a>
404 <h2·class="memtitle"><span·class="permalink"><a·href="#ac08f9d0c80beface4a535c1d5f670765">&#9670;&nbsp;</a></span>bufferRepresentation()</h2>404 <h2·class="memtitle"><span·class="permalink"><a·href="#ac08f9d0c80beface4a535c1d5f670765">&#9670;&nbsp;</a></span>bufferRepresentation()</h2>
  
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500 ··</tr>500 ··</tr>
501 </table>501 </table>
502 </div><div·class="memdoc">502 </div><div·class="memdoc">
503 <p·>This·is·called·once·the·<a·class="el"·href="../../d2/df9/a08342.html">FrameBufferFormat</a>·has·been·set·so·the·renderer·can·perform·any·initialization·steps·that·are·needed.·</p>503 <p·>This·is·called·once·the·<a·class="el"·href="../../d2/df9/a08342.html">FrameBufferFormat</a>·has·been·set·so·the·renderer·can·perform·any·initialization·steps·that·are·needed.·</p>
  
504 <p>Implements·<a·class="el"·href="../../d0/d0b/a08254.html#a03f41f4746d2355979266a1557a03ff2">BALL::VIEW::BufferedRenderer</a>.</p>504 <p>Implements·<a·class="el"·href="../../d0/d0b/a08254.html#a03f41f4746d2355979266a1557a03ff2">BALL::VIEW::BufferedRenderer</a>.</p>
  
505 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d27/a01163_source.html#l00135">135</a>·of·file·<a·class="el"·href="../../d6/d27/a01163_source.html">rtfactRenderer.h</a>.</p>505 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d8b/a01469_source.html#l00135">135</a>·of·file·<a·class="el"·href="../../d9/d8b/a01469_source.html">rtfactRenderer.h</a>.</p>
  
506 </div>506 </div>
507 </div>507 </div>
508 <a·id="ae8c09d4a89aade79795d7b1eac14e532"·name="ae8c09d4a89aade79795d7b1eac14e532"></a>508 <a·id="ae8c09d4a89aade79795d7b1eac14e532"·name="ae8c09d4a89aade79795d7b1eac14e532"></a>
509 <h2·class="memtitle"><span·class="permalink"><a·href="#ae8c09d4a89aade79795d7b1eac14e532">&#9670;&nbsp;</a></span>getFPS()</h2>509 <h2·class="memtitle"><span·class="permalink"><a·href="#ae8c09d4a89aade79795d7b1eac14e532">&#9670;&nbsp;</a></span>getFPS()</h2>
  
510 <div·class="memitem">510 <div·class="memitem">
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620 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>620 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
621 ··</tr>621 ··</tr>
622 </table>622 </table>
623 </div><div·class="memdoc">623 </div><div·class="memdoc">
  
624 <p>Implements·<a·class="el"·href="../../d7/dac/a08278.html#ae16c9b95ce70ea82adae4a519b92a442">BALL::VIEW::RaytracingRenderer</a>.</p>624 <p>Implements·<a·class="el"·href="../../d7/dac/a08278.html#ae16c9b95ce70ea82adae4a519b92a442">BALL::VIEW::RaytracingRenderer</a>.</p>
  
625 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d27/a01163_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../d6/d27/a01163_source.html">rtfactRenderer.h</a>.</p>625 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d8b/a01469_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../d9/d8b/a01469_source.html">rtfactRenderer.h</a>.</p>
  
626 </div>626 </div>
627 </div>627 </div>
628 <a·id="a31d758b2b2a822db69aa1b076f696887"·name="a31d758b2b2a822db69aa1b076f696887"></a>628 <a·id="a31d758b2b2a822db69aa1b076f696887"·name="a31d758b2b2a822db69aa1b076f696887"></a>
629 <h2·class="memtitle"><span·class="permalink"><a·href="#a31d758b2b2a822db69aa1b076f696887">&#9670;&nbsp;</a></span>hasFPScounter()</h2>629 <h2·class="memtitle"><span·class="permalink"><a·href="#a31d758b2b2a822db69aa1b076f696887">&#9670;&nbsp;</a></span>hasFPScounter()</h2>
  
630 <div·class="memitem">630 <div·class="memitem">
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73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockingThread·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockingThread·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p>Thread·for·Docking.··76 <p>Thread·for·Docking.··
77 ·<a·href="../../da/d2e/a08010.html#details">More...</a></p>77 ·<a·href="../../da/d2e/a08010.html#details">More...</a></p>
  
78 <p><code>#include·&lt;<a·class="el"·href="../../dd/d09/a01118_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
80 Inheritance·diagram·for·BALL::VIEW::DockingThread:</div>80 Inheritance·diagram·for·BALL::VIEW::DockingThread:</div>
81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../da/d2e/a08010.png"·usemap="#BALL::VIEW::DockingThread_map"·alt=""/>83 ··<img·src="../../da/d2e/a08010.png"·usemap="#BALL::VIEW::DockingThread_map"·alt=""/>
84 ··<map·id="BALL::VIEW::DockingThread_map"·name="BALL::VIEW::DockingThread_map">84 ··<map·id="BALL::VIEW::DockingThread_map"·name="BALL::VIEW::DockingThread_map">
85 <area·href="../../dc/da9/a07982.html"·alt="BALL::VIEW::BALLThread"·shape="rect"·coords="0,56,172,80"/>85 <area·href="../../dc/da9/a07982.html"·alt="BALL::VIEW::BALLThread"·shape="rect"·coords="0,56,172,80"/>
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135 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>135 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
136 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>136 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>
137 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>137 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
138 </table>138 </table>
139 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>139 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
140 <div·class="textblock"><p·>Thread·for·Docking.·</p>140 <div·class="textblock"><p·>Thread·for·Docking.·</p>
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00275">275</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00275">275</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
142 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>142 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
143 <a·id="ad5a2293337ed1be6cb3ffd7db58a576c"·name="ad5a2293337ed1be6cb3ffd7db58a576c"></a>143 <a·id="ad5a2293337ed1be6cb3ffd7db58a576c"·name="ad5a2293337ed1be6cb3ffd7db58a576c"></a>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">hybridisationProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">pluginHandler.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d7/d00/a00401_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d0/d36/a01916_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../d9/d17/a01937_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;map&gt;</code><br·/>75 <code>#include·&lt;list&gt;</code><br·/>
 76 <code>#include·&lt;QtCore/QReadWriteLock&gt;</code><br·/>
81 </div>77 </div>
82 <p><a·href="../../da/d36/a00650_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../da/d36/a00650_source.html">Go·to·the·source·code·of·this·file.</a></p>
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89 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d0/d21/a06946.html"·title="Option·names.">Option</a>·names.··<a·href="../../d0/d21/a06946.html#details">More...</a><br·/></td></tr> 
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93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d1d/a06954.html">BALL::HybridisationProcessor::Method</a></td></tr> 
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97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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103 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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72 ··<div·class="headertitle"><div·class="title">BALL::RotateBonds·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::RotateBonds·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d1a/a00485_source.html">BALL/DOCKING/GENETICDOCK/rotateBonds.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/ded/a01547_source.html">BALL/DOCKING/GENETICDOCK/rotateBonds.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
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80 <tr·class="separator:a23b8df04ee5cb5c93591c3bcd35a78db"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a23b8df04ee5cb5c93591c3bcd35a78db"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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82 <tr·class="separator:a9ffc8f83a800ded1ab1e1daf1835ca4c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a9ffc8f83a800ded1ab1e1daf1835ca4c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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88 <tr·class="memitem:a76c4d57a4996a36e29ce8118a1191ffb"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d38/a03786.html#a76c4d57a4996a36e29ce8118a1191ffb">rotate</a>·(std::vector&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;·vec)</td></tr>88 <tr·class="memitem:a76c4d57a4996a36e29ce8118a1191ffb"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d38/a03786.html#a76c4d57a4996a36e29ce8118a1191ffb">rotate</a>·(std::vector&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;·vec)</td></tr>
89 <tr·class="separator:a76c4d57a4996a36e29ce8118a1191ffb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a76c4d57a4996a36e29ce8118a1191ffb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a2e057f7dade2d71673182104f9aed51a"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d38/a03786.html#a2e057f7dade2d71673182104f9aed51a">numberBonds</a>·()</td></tr>90 <tr·class="memitem:a2e057f7dade2d71673182104f9aed51a"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d38/a03786.html#a2e057f7dade2d71673182104f9aed51a">numberBonds</a>·()</td></tr>
91 <tr·class="separator:a2e057f7dade2d71673182104f9aed51a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a2e057f7dade2d71673182104f9aed51a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d1a/a00485_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d6/d1a/a00485_source.html">rotateBonds.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/ded/a01547_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../da/ded/a01547_source.html">rotateBonds.h</a>.</p>
96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
97 <a·id="a23b8df04ee5cb5c93591c3bcd35a78db"·name="a23b8df04ee5cb5c93591c3bcd35a78db"></a>97 <a·id="a23b8df04ee5cb5c93591c3bcd35a78db"·name="a23b8df04ee5cb5c93591c3bcd35a78db"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a23b8df04ee5cb5c93591c3bcd35a78db">&#9670;&nbsp;</a></span>RotateBonds()·<span·class="overload">[1/2]</span></h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a23b8df04ee5cb5c93591c3bcd35a78db">&#9670;&nbsp;</a></span>RotateBonds()·<span·class="overload">[1/2]</span></h2>
  
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201 ········</tr>201 ········</tr>
202 ······</table>202 ······</table>
203 </div><div·class="memdoc">203 </div><div·class="memdoc">
  
204 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a02087_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../d2/d31/a02087_source.html">QSARData.h</a>.</p>204 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a00446_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../d3/def/a00446_source.html">QSARData.h</a>.</p>
  
205 </div>205 </div>
206 </div>206 </div>
207 <a·id="a98a0b884ad880ef1a16900568f915de8"·name="a98a0b884ad880ef1a16900568f915de8"></a>207 <a·id="a98a0b884ad880ef1a16900568f915de8"·name="a98a0b884ad880ef1a16900568f915de8"></a>
208 <h2·class="memtitle"><span·class="permalink"><a·href="#a98a0b884ad880ef1a16900568f915de8">&#9670;&nbsp;</a></span>CreateKernel1</h2>208 <h2·class="memtitle"><span·class="permalink"><a·href="#a98a0b884ad880ef1a16900568f915de8">&#9670;&nbsp;</a></span>CreateKernel1</h2>
  
209 <div·class="memitem">209 <div·class="memitem">
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214 ······<table·class="memname">214 ······<table·class="memname">
215 ········<tr>215 ········<tr>
216 ··········<td·class="memname">typedef·<a·class="el"·href="../../d9/dc9/a05774.html">Model</a>·*(*·BALL::QSAR::CreateKernel1)·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·&amp;q,·int·k,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·p1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·p2)</td>216 ··········<td·class="memname">typedef·<a·class="el"·href="../../d9/dc9/a05774.html">Model</a>·*(*·BALL::QSAR::CreateKernel1)·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·&amp;q,·int·k,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·p1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·p2)</td>
217 ········</tr>217 ········</tr>
218 ······</table>218 ······</table>
219 </div><div·class="memdoc">219 </div><div·class="memdoc">
  
220 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d90/a01964_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d6/d90/a01964_source.html">registry.h</a>.</p>220 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d9c/a00413_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../da/d9c/a00413_source.html">registry.h</a>.</p>
  
221 </div>221 </div>
222 </div>222 </div>
223 <a·id="ac2706f0008cc37e3d8b27b4367f42d01"·name="ac2706f0008cc37e3d8b27b4367f42d01"></a>223 <a·id="ac2706f0008cc37e3d8b27b4367f42d01"·name="ac2706f0008cc37e3d8b27b4367f42d01"></a>
224 <h2·class="memtitle"><span·class="permalink"><a·href="#ac2706f0008cc37e3d8b27b4367f42d01">&#9670;&nbsp;</a></span>CreateKernel2</h2>224 <h2·class="memtitle"><span·class="permalink"><a·href="#ac2706f0008cc37e3d8b27b4367f42d01">&#9670;&nbsp;</a></span>CreateKernel2</h2>
  
225 <div·class="memitem">225 <div·class="memitem">
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230 ······<table·class="memname">230 ······<table·class="memname">
231 ········<tr>231 ········<tr>
232 ··········<td·class="memname">typedef·<a·class="el"·href="../../d9/dc9/a05774.html">Model</a>·*(*·BALL::QSAR::CreateKernel2)·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·&amp;q,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·s1,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·s2)</td>232 ··········<td·class="memname">typedef·<a·class="el"·href="../../d9/dc9/a05774.html">Model</a>·*(*·BALL::QSAR::CreateKernel2)·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·&amp;q,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·s1,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·s2)</td>
233 ········</tr>233 ········</tr>
234 ······</table>234 ······</table>
235 </div><div·class="memdoc">235 </div><div·class="memdoc">
  
236 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d90/a01964_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d6/d90/a01964_source.html">registry.h</a>.</p>236 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d9c/a00413_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../da/d9c/a00413_source.html">registry.h</a>.</p>
  
237 </div>237 </div>
238 </div>238 </div>
239 <a·id="adfa3c43f2ccb1fc09bb8743b15339463"·name="adfa3c43f2ccb1fc09bb8743b15339463"></a>239 <a·id="adfa3c43f2ccb1fc09bb8743b15339463"·name="adfa3c43f2ccb1fc09bb8743b15339463"></a>
240 <h2·class="memtitle"><span·class="permalink"><a·href="#adfa3c43f2ccb1fc09bb8743b15339463">&#9670;&nbsp;</a></span>CreateMethod</h2>240 <h2·class="memtitle"><span·class="permalink"><a·href="#adfa3c43f2ccb1fc09bb8743b15339463">&#9670;&nbsp;</a></span>CreateMethod</h2>
  
241 <div·class="memitem">241 <div·class="memitem">
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246 ······<table·class="memname">246 ······<table·class="memname">
247 ········<tr>247 ········<tr>
248 ··········<td·class="memname">typedef·<a·class="el"·href="../../d9/dc9/a05774.html">Model</a>·*(*·BALL::QSAR::CreateMethod)·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·&amp;q)</td>248 ··········<td·class="memname">typedef·<a·class="el"·href="../../d9/dc9/a05774.html">Model</a>·*(*·BALL::QSAR::CreateMethod)·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·&amp;q)</td>
249 ········</tr>249 ········</tr>
250 ······</table>250 ······</table>
251 </div><div·class="memdoc">251 </div><div·class="memdoc">
  
252 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d90/a01964_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d6/d90/a01964_source.html">registry.h</a>.</p>252 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d9c/a00413_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../da/d9c/a00413_source.html">registry.h</a>.</p>
  
253 </div>253 </div>
254 </div>254 </div>
255 <a·id="a902e129d9a27e5115d592534fe7d776d"·name="a902e129d9a27e5115d592534fe7d776d"></a>255 <a·id="a902e129d9a27e5115d592534fe7d776d"·name="a902e129d9a27e5115d592534fe7d776d"></a>
256 <h2·class="memtitle"><span·class="permalink"><a·href="#a902e129d9a27e5115d592534fe7d776d">&#9670;&nbsp;</a></span>RegistryEntryIterator</h2>256 <h2·class="memtitle"><span·class="permalink"><a·href="#a902e129d9a27e5115d592534fe7d776d">&#9670;&nbsp;</a></span>RegistryEntryIterator</h2>
  
257 <div·class="memitem">257 <div·class="memitem">
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262 ······<table·class="memname">262 ······<table·class="memname">
263 ········<tr>263 ········<tr>
264 ··········<td·class="memname">typedef·std::map&lt;int,<a·class="el"·href="../../dd/d81/a05830.html">RegistryEntry</a>&gt;::iterator·<a·class="el"·href="../../da/d3b/a02229.html#a902e129d9a27e5115d592534fe7d776d">BALL::QSAR::RegistryEntryIterator</a></td>264 ··········<td·class="memname">typedef·std::map&lt;int,<a·class="el"·href="../../dd/d81/a05830.html">RegistryEntry</a>&gt;::iterator·<a·class="el"·href="../../da/d3b/a02229.html#a902e129d9a27e5115d592534fe7d776d">BALL::QSAR::RegistryEntryIterator</a></td>
265 ········</tr>265 ········</tr>
266 ······</table>266 ······</table>
267 </div><div·class="memdoc">267 </div><div·class="memdoc">
  
268 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d90/a01964_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../d6/d90/a01964_source.html">registry.h</a>.</p>268 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d9c/a00413_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../da/d9c/a00413_source.html">registry.h</a>.</p>
  
269 </div>269 </div>
270 </div>270 </div>
271 <a·id="af3b14f03329ae146c29233e21c23c08f"·name="af3b14f03329ae146c29233e21c23c08f"></a>271 <a·id="af3b14f03329ae146c29233e21c23c08f"·name="af3b14f03329ae146c29233e21c23c08f"></a>
272 <h2·class="memtitle"><span·class="permalink"><a·href="#af3b14f03329ae146c29233e21c23c08f">&#9670;&nbsp;</a></span>VMatrix</h2>272 <h2·class="memtitle"><span·class="permalink"><a·href="#af3b14f03329ae146c29233e21c23c08f">&#9670;&nbsp;</a></span>VMatrix</h2>
  
273 <div·class="memitem">273 <div·class="memitem">
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278 ······<table·class="memname">278 ······<table·class="memname">
279 ········<tr>279 ········<tr>
280 ··········<td·class="memname">typedef·vector&lt;<a·class="el"·href="../../da/d3b/a02229.html#af4cd383c264631e8ec7d96bdeaa34876">Column</a>&gt;·<a·class="el"·href="../../da/d3b/a02229.html#af3b14f03329ae146c29233e21c23c08f">BALL::QSAR::VMatrix</a></td>280 ··········<td·class="memname">typedef·vector&lt;<a·class="el"·href="../../da/d3b/a02229.html#af4cd383c264631e8ec7d96bdeaa34876">Column</a>&gt;·<a·class="el"·href="../../da/d3b/a02229.html#af3b14f03329ae146c29233e21c23c08f">BALL::QSAR::VMatrix</a></td>
281 ········</tr>281 ········</tr>
282 ······</table>282 ······</table>
283 </div><div·class="memdoc">283 </div><div·class="memdoc">
  
284 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a02087_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d2/d31/a02087_source.html">QSARData.h</a>.</p>284 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a00446_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d3/def/a00446_source.html">QSARData.h</a>.</p>
  
285 </div>285 </div>
286 </div>286 </div>
287 <h2·class="groupheader">Function·Documentation</h2>287 <h2·class="groupheader">Function·Documentation</h2>
288 <a·id="af42aa0c85e80a8a0d5002b9a8b758c04"·name="af42aa0c85e80a8a0d5002b9a8b758c04"></a>288 <a·id="af42aa0c85e80a8a0d5002b9a8b758c04"·name="af42aa0c85e80a8a0d5002b9a8b758c04"></a>
289 <h2·class="memtitle"><span·class="permalink"><a·href="#af42aa0c85e80a8a0d5002b9a8b758c04">&#9670;&nbsp;</a></span>createNewModelFromFile()</h2>289 <h2·class="memtitle"><span·class="permalink"><a·href="#af42aa0c85e80a8a0d5002b9a8b758c04">&#9670;&nbsp;</a></span>createNewModelFromFile()</h2>
  
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;71 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;
72 <a·href="../../d8/ddb/a07807.html">List·of·all·members</a>··</div>72 <a·href="../../d8/ddb/a07807.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::IconLoader·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::IconLoader·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/KERNEL/iconLoader.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d8/d27/a01043_source.html">BALL/VIEW/KERNEL/iconLoader.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a73b3a119d3564949cfe55a8b133375b2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3d/a07810.html#a73b3a119d3564949cfe55a8b133375b2">IconLoader</a>·()</td></tr>80 <tr·class="memitem:a73b3a119d3564949cfe55a8b133375b2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3d/a07810.html#a73b3a119d3564949cfe55a8b133375b2">IconLoader</a>·()</td></tr>
81 <tr·class="separator:a73b3a119d3564949cfe55a8b133375b2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a73b3a119d3564949cfe55a8b133375b2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:a2e79045d03021131acfbfd89631e1af9"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3d/a07810.html#a2e79045d03021131acfbfd89631e1af9">IconLoader</a>·(const·QStringList·&amp;icon_dirs)</td></tr>82 <tr·class="memitem:a2e79045d03021131acfbfd89631e1af9"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3d/a07810.html#a2e79045d03021131acfbfd89631e1af9">IconLoader</a>·(const·QStringList·&amp;icon_dirs)</td></tr>
83 <tr·class="separator:a2e79045d03021131acfbfd89631e1af9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:a2e79045d03021131acfbfd89631e1af9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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95 Static·Public·Member·Functions</h2></td></tr>95 Static·Public·Member·Functions</h2></td></tr>
96 <tr·class="memitem:a92bcef3260e2a40cc9fb2861810d56be"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/d3d/a07810.html">IconLoader</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3d/a07810.html#a92bcef3260e2a40cc9fb2861810d56be">instance</a>·()</td></tr>96 <tr·class="memitem:a92bcef3260e2a40cc9fb2861810d56be"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/d3d/a07810.html">IconLoader</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3d/a07810.html#a92bcef3260e2a40cc9fb2861810d56be">instance</a>·()</td></tr>
97 <tr·class="separator:a92bcef3260e2a40cc9fb2861810d56be"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:a92bcef3260e2a40cc9fb2861810d56be"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>98 </table>
99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
100 <div·class="textblock"><p·>This·class·is·an·icon·loader·for·the·<a·class="el"·href="../../d4/dc0/a02225.html">VIEW</a>·classes.·It·handles·icon·themes·as·defined·in·the·freedesktop.org·standard.·It·automatically·detects·all·present·resolutions·of·an·icon·and·loads·them.·Furthermore·it·features·an·icon·cache·in·order·to·minimize·disk·access.·There·are·essentially·two·ways·to·use·this·class:·Use·it·in·a·singleton·wise·fashion·or·create·an·specialized·instance.·</p>100 <div·class="textblock"><p·>This·class·is·an·icon·loader·for·the·<a·class="el"·href="../../d4/dc0/a02225.html">VIEW</a>·classes.·It·handles·icon·themes·as·defined·in·the·freedesktop.org·standard.·It·automatically·detects·all·present·resolutions·of·an·icon·and·loads·them.·Furthermore·it·features·an·icon·cache·in·order·to·minimize·disk·access.·There·are·essentially·two·ways·to·use·this·class:·Use·it·in·a·singleton·wise·fashion·or·create·an·specialized·instance.·</p>
  
101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">iconLoader.h</a>.</p>101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d27/a01043_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d8/d27/a01043_source.html">iconLoader.h</a>.</p>
102 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>102 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
103 <a·id="a73b3a119d3564949cfe55a8b133375b2"·name="a73b3a119d3564949cfe55a8b133375b2"></a>103 <a·id="a73b3a119d3564949cfe55a8b133375b2"·name="a73b3a119d3564949cfe55a8b133375b2"></a>
104 <h2·class="memtitle"><span·class="permalink"><a·href="#a73b3a119d3564949cfe55a8b133375b2">&#9670;&nbsp;</a></span>IconLoader()·<span·class="overload">[1/3]</span></h2>104 <h2·class="memtitle"><span·class="permalink"><a·href="#a73b3a119d3564949cfe55a8b133375b2">&#9670;&nbsp;</a></span>IconLoader()·<span·class="overload">[1/3]</span></h2>
  
105 <div·class="memitem">105 <div·class="memitem">
106 <div·class="memproto">106 <div·class="memproto">
107 ······<table·class="memname">107 ······<table·class="memname">
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71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
73 <a·href="../../da/dfb/a05547.html">List·of·all·members</a>··</div>73 <a·href="../../da/dfb/a05547.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::PluginHandler·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::PluginHandler·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../de/d3e/a01676_source.html">BALL/PLUGIN/pluginHandler.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../da/d36/a00650_source.html">BALL/PLUGIN/pluginHandler.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::PluginHandler:</div>79 Inheritance·diagram·for·BALL::PluginHandler:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../da/d41/a05550.png"·usemap="#BALL::PluginHandler_map"·alt=""/>82 ··<img·src="../../da/d41/a05550.png"·usemap="#BALL::PluginHandler_map"·alt=""/>
83 ··<map·id="BALL::PluginHandler_map"·name="BALL::PluginHandler_map">83 ··<map·id="BALL::PluginHandler_map"·name="BALL::PluginHandler_map">
84 <area·href="../../d9/da8/a08138.html"·alt="BALL::VIEW::InputDevPluginHandler"·shape="rect"·coords="0,56,251,80"/>84 <area·href="../../d9/da8/a08138.html"·alt="BALL::VIEW::InputDevPluginHandler"·shape="rect"·coords="0,56,251,80"/>
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113 <tr·class="memitem:ad2f1fe3a241b5069c4a60b4429e71ec2"><td·class="memItemLeft"·align="right"·valign="top">std::list&lt;·<a·class="el"·href="../../d1/d22/a05546.html">BALLPlugin</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d41/a05550.html#ad2f1fe3a241b5069c4a60b4429e71ec2">running_plugins_</a></td></tr>113 <tr·class="memitem:ad2f1fe3a241b5069c4a60b4429e71ec2"><td·class="memItemLeft"·align="right"·valign="top">std::list&lt;·<a·class="el"·href="../../d1/d22/a05546.html">BALLPlugin</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d41/a05550.html#ad2f1fe3a241b5069c4a60b4429e71ec2">running_plugins_</a></td></tr>
114 <tr·class="separator:ad2f1fe3a241b5069c4a60b4429e71ec2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>114 <tr·class="separator:ad2f1fe3a241b5069c4a60b4429e71ec2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
115 </table>115 </table>
116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
117 <div·class="textblock"><p·>A·<a·class="el"·href="../../da/d41/a05550.html">PluginHandler</a>·is·a·class·that·is·responsible·for·initializing·a·certain·plugin·type.·It·provides·the·method·<a·class="el"·href="../../da/d41/a05550.html#a09163c9ed4c90b473c6e5ff3734874bc">canHandle()</a>·that·checks·whether·a·plugin·can·be·initialized·by·the·handler·and·has·the·purely·virtual·methods·<a·class="el"·href="../../da/d41/a05550.html#a972aa458368b04312f4a0c3f6aca2041">specificSetup_()</a>·and·<a·class="el"·href="../../da/d41/a05550.html#ae7134d1fc56fa77db6e214baec651d3e">specificShutdown_()</a>·that·provide·plugin·type·specific·initializations.</p>117 <div·class="textblock"><p·>A·<a·class="el"·href="../../da/d41/a05550.html">PluginHandler</a>·is·a·class·that·is·responsible·for·initializing·a·certain·plugin·type.·It·provides·the·method·<a·class="el"·href="../../da/d41/a05550.html#a09163c9ed4c90b473c6e5ff3734874bc">canHandle()</a>·that·checks·whether·a·plugin·can·be·initialized·by·the·handler·and·has·the·purely·virtual·methods·<a·class="el"·href="../../da/d41/a05550.html#a972aa458368b04312f4a0c3f6aca2041">specificSetup_()</a>·and·<a·class="el"·href="../../da/d41/a05550.html#ae7134d1fc56fa77db6e214baec651d3e">specificShutdown_()</a>·that·provide·plugin·type·specific·initializations.</p>
118 <p·>Implementing·a·suitable·<a·class="el"·href="../../da/d41/a05550.html">PluginHandler</a>·is·the·second·step·besides·defining·the·plugin·interface·itsself·that·is·needed·to·create·a·new·plugin·api·for·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>.·</p>118 <p·>Implementing·a·suitable·<a·class="el"·href="../../da/d41/a05550.html">PluginHandler</a>·is·the·second·step·besides·defining·the·plugin·interface·itsself·that·is·needed·to·create·a·new·plugin·api·for·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>.·</p>
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d3e/a01676_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../de/d3e/a01676_source.html">pluginHandler.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">pluginHandler.h</a>.</p>
120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
121 <a·id="a2081519ac6fe77511b7db77d773325d4"·name="a2081519ac6fe77511b7db77d773325d4"></a>121 <a·id="a2081519ac6fe77511b7db77d773325d4"·name="a2081519ac6fe77511b7db77d773325d4"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#a2081519ac6fe77511b7db77d773325d4">&#9670;&nbsp;</a></span>~PluginHandler()</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#a2081519ac6fe77511b7db77d773325d4">&#9670;&nbsp;</a></span>~PluginHandler()</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
124 <div·class="memproto">124 <div·class="memproto">
125 <table·class="mlabels">125 <table·class="mlabels">
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326 ··<td·class="mlabels-right">326 ··<td·class="mlabels-right">
327 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>327 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
328 ··</tr>328 ··</tr>
329 </table>329 </table>
330 </div><div·class="memdoc">330 </div><div·class="memdoc">
331 <p·>The·list·of·plugins·this·handler·is·responsible·for.·Plugins·should·only·be·added/removed·by·using·start/stopPlugin·</p>331 <p·>The·list·of·plugins·this·handler·is·responsible·for.·Plugins·should·only·be·added/removed·by·using·start/stopPlugin·</p>
  
332 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d3e/a01676_source.html#l00101">101</a>·of·file·<a·class="el"·href="../../de/d3e/a01676_source.html">pluginHandler.h</a>.</p>332 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00101">101</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">pluginHandler.h</a>.</p>
  
333 </div>333 </div>
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338 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4338 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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112 ········<tr>112 ········<tr>
113 ··········<td·class="memname">typedef·<a·class="el"·href="../../df/d96/a03402.html">TContour</a>&lt;<a·class="el"·href="../../de/ded/a09238.html">float</a>&gt;·<a·class="el"·href="../../da/d42/a02134.html#ga0028f774bd82ececc28738aabdd2d82b">BALL::Contour</a></td>113 ··········<td·class="memname">typedef·<a·class="el"·href="../../df/d96/a03402.html">TContour</a>&lt;<a·class="el"·href="../../de/ded/a09238.html">float</a>&gt;·<a·class="el"·href="../../da/d42/a02134.html#ga0028f774bd82ececc28738aabdd2d82b">BALL::Contour</a></td>
114 ········</tr>114 ········</tr>
115 ······</table>115 ······</table>
116 </div><div·class="memdoc">116 </div><div·class="memdoc">
117 <p·>Default·type·</p>117 <p·>Default·type·</p>
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d4b/a01883_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../db/d4b/a01883_source.html">contour.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d73/a00674_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../d8/d73/a00674_source.html">contour.h</a>.</p>
  
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120 </div>120 </div>
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70 <a·href="#pub-slots">Public·Slots</a>·&#124;70 <a·href="#pub-slots">Public·Slots</a>·&#124;
71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="../../d2/d08/a07607.html">List·of·all·members</a>··</div>72 <a·href="../../d2/d08/a07607.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::FieldLinesDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::FieldLinesDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d49/a01316_source.html">BALL/VIEW/DIALOGS/fieldLinesDialog.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d0/d5a/a01199_source.html">BALL/VIEW/DIALOGS/fieldLinesDialog.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::FieldLinesDialog:</div>78 Inheritance·diagram·for·BALL::VIEW::FieldLinesDialog:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../da/d42/a07610.png"·usemap="#BALL::VIEW::FieldLinesDialog_map"·alt=""/>81 ··<img·src="../../da/d42/a07610.png"·usemap="#BALL::VIEW::FieldLinesDialog_map"·alt=""/>
82 ··<map·id="BALL::VIEW::FieldLinesDialog_map"·name="BALL::VIEW::FieldLinesDialog_map">82 ··<map·id="BALL::VIEW::FieldLinesDialog_map"·name="BALL::VIEW::FieldLinesDialog_map">
83 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,181,24"/>83 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,181,24"/>
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157 <tr·class="separator:abeeafb3afe835477c72a6a9e09470345·inherit·pub_attribs_a08050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>157 <tr·class="separator:abeeafb3afe835477c72a6a9e09470345·inherit·pub_attribs_a08050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
158 <tr·class="memitem:ad0f85de6be54e5632f7b1d8d5b2f79bc·inherit·pub_attribs_a08050"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d02/a08050.html#ad0f85de6be54e5632f7b1d8d5b2f79bc">use_potential_grid_</a></td></tr>158 <tr·class="memitem:ad0f85de6be54e5632f7b1d8d5b2f79bc·inherit·pub_attribs_a08050"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d02/a08050.html#ad0f85de6be54e5632f7b1d8d5b2f79bc">use_potential_grid_</a></td></tr>
159 <tr·class="separator:ad0f85de6be54e5632f7b1d8d5b2f79bc·inherit·pub_attribs_a08050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>159 <tr·class="separator:ad0f85de6be54e5632f7b1d8d5b2f79bc·inherit·pub_attribs_a08050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
160 </table>160 </table>
161 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>161 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
162 <div·class="textblock"><p·>Dialog·for·creating·field·lines.·</p>162 <div·class="textblock"><p·>Dialog·for·creating·field·lines.·</p>
  
163 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d49/a01316_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d4/d49/a01316_source.html">fieldLinesDialog.h</a>.</p>163 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d5a/a01199_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d0/d5a/a01199_source.html">fieldLinesDialog.h</a>.</p>
164 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>164 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
165 <a·id="af9552e852524adf3fdc53a125022d327"·name="af9552e852524adf3fdc53a125022d327"></a>165 <a·id="af9552e852524adf3fdc53a125022d327"·name="af9552e852524adf3fdc53a125022d327"></a>
166 <h2·class="memtitle"><span·class="permalink"><a·href="#af9552e852524adf3fdc53a125022d327">&#9670;&nbsp;</a></span>FieldLinesDialog()</h2>166 <h2·class="memtitle"><span·class="permalink"><a·href="#af9552e852524adf3fdc53a125022d327">&#9670;&nbsp;</a></span>FieldLinesDialog()</h2>
  
167 <div·class="memitem">167 <div·class="memitem">
168 <div·class="memproto">168 <div·class="memproto">
169 ······<table·class="memname">169 ······<table·class="memname">
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8 <title>BALL:·mutator.h·File·Reference</title>8 <title>BALL:·crystalInfo.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_52a4bffbb942fe992d286b640b8d4d08.html">XRAY</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">mutator.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">crystalInfo.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/dd8/a01022_source.html">BALL/COMMON/debug.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d12/a00794_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d5/dd6/a01820_source.html">BALL/STRUCTURE/geometricTransformations.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>78 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d0/d11/a00842_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;string&gt;</code><br·/>
76 </div>81 </div>
77 <p><a·href="../../da/d46/a00665_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../da/d46/a00665_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">83 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>85 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dde/a06982.html">BALL::Mutator</a></td></tr>86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dfe/a08586.html">BALL::CrystalInfo</a></td></tr>
 87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d80/a08590.html">BALL::CrystalInfo::Option</a></td></tr>
 89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dc2/a08594.html">BALL::CrystalInfo::Default</a></td></tr>
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85 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">mainframe.C·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">mainframe.C·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&quot;<a·class="el"·href="../../d0/dfe/a02102_source.html">mainframe.h</a>&quot;</code><br·/>74 <div·class="textblock"><code>#include·&quot;<a·class="el"·href="../../d8/dd8/a02108_source.html">mainframe.h</a>&quot;</code><br·/>
75 <code>#include·&quot;<a·class="el"·href="../../dd/d77/a02096_source.html">icons.h</a>&quot;</code><br·/>75 <code>#include·&quot;<a·class="el"·href="../../d4/d64/a02111_source.html">icons.h</a>&quot;</code><br·/>
76 <code>#include·&quot;<a·class="el"·href="../../d4/d64/a02111_source.html">demoTutorialDialog.h</a>&quot;</code><br·/>76 <code>#include·&quot;<a·class="el"·href="../../d9/dff/a02099_source.html">demoTutorialDialog.h</a>&quot;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/KERNEL/iconLoader.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d8/d27/a01043_source.html">BALL/VIEW/KERNEL/iconLoader.h</a>&gt;</code><br·/>
78 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a01565_source.html">BALL/VIEW/WIDGETS/molecularStructure.h</a>&gt;</code><br·/>78 <code>#include·&lt;<a·class="el"·href="../../d0/d39/a01112_source.html">BALL/VIEW/WIDGETS/molecularStructure.h</a>&gt;</code><br·/>
79 <code>#include·&lt;<a·class="el"·href="../../dc/d96/a01517_source.html">BALL/VIEW/WIDGETS/molecularControl.h</a>&gt;</code><br·/>79 <code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/WIDGETS/molecularControl.h</a>&gt;</code><br·/>
80 <code>#include·&lt;<a·class="el"·href="../../db/dce/a01529_source.html">BALL/VIEW/WIDGETS/geometricControl.h</a>&gt;</code><br·/>80 <code>#include·&lt;<a·class="el"·href="../../da/db7/a01088_source.html">BALL/VIEW/WIDGETS/geometricControl.h</a>&gt;</code><br·/>
81 <code>#include·&lt;<a·class="el"·href="../../de/d2c/a01553_source.html">BALL/VIEW/WIDGETS/logView.h</a>&gt;</code><br·/>81 <code>#include·&lt;<a·class="el"·href="../../d1/dfa/a01097_source.html">BALL/VIEW/WIDGETS/logView.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../da/d0a/a01526_source.html">BALL/VIEW/WIDGETS/datasetControl.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../df/dd5/a01115_source.html">BALL/VIEW/WIDGETS/datasetControl.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../dc/d93/a01535_source.html">BALL/VIEW/WIDGETS/fileObserver.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d8/dbf/a01109_source.html">BALL/VIEW/WIDGETS/fileObserver.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../de/d90/a01313_source.html">BALL/VIEW/DIALOGS/pubchemDialog.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d2/d1d/a01277_source.html">BALL/VIEW/DIALOGS/pubchemDialog.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../d1/d72/a01319_source.html">BALL/VIEW/DIALOGS/undoManagerDialog.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../d6/d27/a01163_source.html">BALL/VIEW/DIALOGS/undoManagerDialog.h</a>&gt;</code><br·/>
86 <code>#include·&lt;<a·class="el"·href="../../dc/dd9/a01328_source.html">BALL/VIEW/DIALOGS/downloadPDBFile.h</a>&gt;</code><br·/>86 <code>#include·&lt;<a·class="el"·href="../../d8/d11/a01178_source.html">BALL/VIEW/DIALOGS/downloadPDBFile.h</a>&gt;</code><br·/>
87 <code>#include·&lt;<a·class="el"·href="../../d7/d1c/a01397_source.html">BALL/VIEW/DIALOGS/downloadElectronDensity.h</a>&gt;</code><br·/>87 <code>#include·&lt;<a·class="el"·href="../../d5/d16/a01154_source.html">BALL/VIEW/DIALOGS/downloadElectronDensity.h</a>&gt;</code><br·/>
88 <code>#include·&lt;<a·class="el"·href="../../d4/dd1/a01334_source.html">BALL/VIEW/DIALOGS/labelDialog.h</a>&gt;</code><br·/>88 <code>#include·&lt;<a·class="el"·href="../../d8/d0d/a01280_source.html">BALL/VIEW/DIALOGS/labelDialog.h</a>&gt;</code><br·/>
89 <code>#include·&lt;<a·class="el"·href="../../da/d06/a01403_source.html">BALL/VIEW/DIALOGS/displayProperties.h</a>&gt;</code><br·/>89 <code>#include·&lt;<a·class="el"·href="../../d6/df2/a01175_source.html">BALL/VIEW/DIALOGS/displayProperties.h</a>&gt;</code><br·/>
90 <code>#include·&lt;<a·class="el"·href="../../d2/d1f/a01361_source.html">BALL/VIEW/DIALOGS/molecularFileDialog.h</a>&gt;</code><br·/>90 <code>#include·&lt;<a·class="el"·href="../../de/d33/a01274_source.html">BALL/VIEW/DIALOGS/molecularFileDialog.h</a>&gt;</code><br·/>
91 <code>#include·&lt;<a·class="el"·href="../../dc/d47/a01487_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code><br·/>91 <code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code><br·/>
92 <code>#include·&lt;<a·class="el"·href="../../de/daf/a01736_source.html">BALL/SYSTEM/path.h</a>&gt;</code><br·/>92 <code>#include·&lt;<a·class="el"·href="../../d5/dae/a00767_source.html">BALL/SYSTEM/path.h</a>&gt;</code><br·/>
93 <code>#include·&lt;<a·class="el"·href="../../de/d34/a20344_source.html">BALL/KERNEL/forEach.h</a>&gt;</code><br·/>93 <code>#include·&lt;<a·class="el"·href="../../de/d34/a20344_source.html">BALL/KERNEL/forEach.h</a>&gt;</code><br·/>
94 <code>#include·&lt;<a·class="el"·href="../../d1/d3a/a01622_source.html">BALL/CONCEPT/moleculeObjectCreator.h</a>&gt;</code><br·/>94 <code>#include·&lt;<a·class="el"·href="../../d8/db7/a00812_source.html">BALL/CONCEPT/moleculeObjectCreator.h</a>&gt;</code><br·/>
95 <code>#include·&quot;ui_aboutDialog.h&quot;</code><br·/>95 <code>#include·&quot;ui_aboutDialog.h&quot;</code><br·/>
96 <code>#include·&lt;<a·class="el"·href="../../de/d96/a01685_source.html">BALL/PLUGIN/pluginManager.h</a>&gt;</code><br·/>96 <code>#include·&lt;<a·class="el"·href="../../d3/d8e/a00647_source.html">BALL/PLUGIN/pluginManager.h</a>&gt;</code><br·/>
97 <code>#include·&lt;<a·class="el"·href="../../d8/ddf/a01238_source.html">BALL/VIEW/PLUGIN/inputDevPluginHandler.h</a>&gt;</code><br·/>97 <code>#include·&lt;<a·class="el"·href="../../de/df1/a01151_source.html">BALL/VIEW/PLUGIN/inputDevPluginHandler.h</a>&gt;</code><br·/>
98 <code>#include·&lt;<a·class="el"·href="../../d0/d67/a01232_source.html">BALL/VIEW/PLUGIN/modularWidgetPluginHandler.h</a>&gt;</code><br·/>98 <code>#include·&lt;<a·class="el"·href="../../d3/ddc/a01142_source.html">BALL/VIEW/PLUGIN/modularWidgetPluginHandler.h</a>&gt;</code><br·/>
99 <code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/VIEW/PLUGIN/VIEWPlugin.h</a>&gt;</code><br·/>99 <code>#include·&lt;<a·class="el"·href="../../db/d17/a01148_source.html">BALL/VIEW/PLUGIN/VIEWPlugin.h</a>&gt;</code><br·/>
100 <code>#include·&lt;<a·class="el"·href="../../d9/dda/a01289_source.html">BALL/VIEW/DIALOGS/pluginDialog.h</a>&gt;</code><br·/>100 <code>#include·&lt;<a·class="el"·href="../../dc/d70/a01187_source.html">BALL/VIEW/DIALOGS/pluginDialog.h</a>&gt;</code><br·/>
101 <code>#include·&lt;<a·class="el"·href="../../d8/dbe/a01370_source.html">BALL/VIEW/DIALOGS/preferences.h</a>&gt;</code><br·/>101 <code>#include·&lt;<a·class="el"·href="../../d6/d0f/a01256_source.html">BALL/VIEW/DIALOGS/preferences.h</a>&gt;</code><br·/>
102 </div>102 </div>
103 <p><a·href="../../da/d4a/a02114_source.html">Go·to·the·source·code·of·this·file.</a></p>103 <p><a·href="../../da/d4a/a02114_source.html">Go·to·the·source·code·of·this·file.</a></p>
104 <table·class="memberdecls">104 <table·class="memberdecls">
105 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>105 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
106 Namespaces</h2></td></tr>106 Namespaces</h2></td></tr>
107 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>107 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
108 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>108 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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8 <title>BALL:·modularWidget.h·File·Reference</title>8 <title>BALL:·widgets.doc·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath"> 
63 ··<ul> 
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul> 
65 </div> 
66 </div><!--·top·-->62 </div><!--·top·-->
67 <div·class="header">63 <div·class="header">
68 ··<div·class="summary"> 
69 <a·href="#nested-classes">Classes</a>·&#124; 
70 <a·href="#namespaces">Namespaces</a>··</div> 
71 ··<div·class="headertitle"><div·class="title">modularWidget.h·File·Reference</div></div>64 ··<div·class="headertitle"><div·class="title">widgets.doc·File·Reference</div></div>
72 </div><!--header-->65 </div><!--header-->
73 <div·class="contents">66 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/dad/a01616_source.html">BALL/CONCEPT/embeddable.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../d2/df3/a01085_source.html">BALL/VIEW/KERNEL/connectionObject.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d2/d49/a01067_source.html">BALL/VIEW/KERNEL/UIOperationMode.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;QtGui/QKeySequence&gt;</code><br·/> 
78 <code>#include·&lt;QtWidgets/QToolBar&gt;</code><br·/> 
79 </div> 
80 <p><a·href="../../da/d4e/a01106_source.html">Go·to·the·source·code·of·this·file.</a></p> 
81 <table·class="memberdecls"> 
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
83 Classes</h2></td></tr> 
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d8a/a07922.html">BALL::VIEW::ModularWidget</a></td></tr> 
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
86 </table><table·class="memberdecls"> 
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
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89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
91 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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94 </div><!--·contents·-->67 </div><!--·contents·-->
95 <!--·start·footer·part·-->68 <!--·start·footer·part·-->
96 <hr·class="footer"/><address·class="footer"><small>69 <hr·class="footer"/><address·class="footer"><small>
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8 <title>BALL:·partialChargeBase.h·File·Reference</title>8 <title>BALL:·rescoring3D.h·File·Reference</title>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">partialChargeBase.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">rescoring3D.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d9b/a02039_source.html">BALL/QSAR/descriptor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d0a/a02015_source.html">BALL/SCORING/FUNCTIONS/rescoring.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
75 </div>76 </div>
76 <p><a·href="../../da/d51/a02000_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../da/d51/a02000_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">78 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>80 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc2/a05794.html">BALL::PartialChargeBase</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/ddb/a06430.html">BALL::Rescoring3D</a></td></tr>
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84 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../d0/dd4/a06595.html">List·of·all·members</a>··</div>71 <a·href="../../d0/dd4/a06595.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ReissCavFreeEnergyProcessor::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ReissCavFreeEnergyProcessor::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d2/d20/a01790_source.html">BALL/SOLVATION/reissCavFreeEnergyProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d18/a01925_source.html">BALL/SOLVATION/reissCavFreeEnergyProcessor.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:aa4a557f7f630c5c88ea4f4cd0b87e9ba"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d58/a06598.html#aa4a557f7f630c5c88ea4f4cd0b87e9ba">VERBOSITY</a></td></tr>79 <tr·class="memitem:aa4a557f7f630c5c88ea4f4cd0b87e9ba"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d58/a06598.html#aa4a557f7f630c5c88ea4f4cd0b87e9ba">VERBOSITY</a></td></tr>
80 <tr·class="separator:aa4a557f7f630c5c88ea4f4cd0b87e9ba"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:aa4a557f7f630c5c88ea4f4cd0b87e9ba"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a21b09cf4b9f6707eea551b8b68353b8d"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d58/a06598.html#a21b09cf4b9f6707eea551b8b68353b8d">SOLVENT_NUMBER_DENSITY</a></td></tr>81 <tr·class="memitem:a21b09cf4b9f6707eea551b8b68353b8d"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d58/a06598.html#a21b09cf4b9f6707eea551b8b68353b8d">SOLVENT_NUMBER_DENSITY</a></td></tr>
82 <tr·class="separator:a21b09cf4b9f6707eea551b8b68353b8d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a21b09cf4b9f6707eea551b8b68353b8d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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89 <tr·class="separator:a76c95e43115b52f5348987f0aa419549"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a76c95e43115b52f5348987f0aa419549"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p·>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../dd/d48/a06594.html#a040b55c019cbe356075d91f27cf54a16">ReissCavFreeEnergyProcessor::options</a>.·</p>92 <div·class="textblock"><p·>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../dd/d48/a06594.html#a040b55c019cbe356075d91f27cf54a16">ReissCavFreeEnergyProcessor::options</a>.·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d20/a01790_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d2/d20/a01790_source.html">reissCavFreeEnergyProcessor.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d18/a01925_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d6/d18/a01925_source.html">reissCavFreeEnergyProcessor.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="a76dba6d58d61b582a5114c88d8489aed"·name="a76dba6d58d61b582a5114c88d8489aed"></a>95 <a·id="a76dba6d58d61b582a5114c88d8489aed"·name="a76dba6d58d61b582a5114c88d8489aed"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a76dba6d58d61b582a5114c88d8489aed">&#9670;&nbsp;</a></span>ABSOLUTE_TEMPERATURE</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a76dba6d58d61b582a5114c88d8489aed">&#9670;&nbsp;</a></span>ABSOLUTE_TEMPERATURE</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 <table·class="mlabels">99 <table·class="mlabels">
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116 <dl·class="params"><dt>Parameters</dt><dd>116 <dl·class="params"><dt>Parameters</dt><dd>
117 ··<table·class="params">117 ··<table·class="params">
118 ····<tr><td·class="paramname">absolute_temperature</td><td>float;·</td></tr>118 ····<tr><td·class="paramname">absolute_temperature</td><td>float;·</td></tr>
119 ··</table>119 ··</table>
120 ··</dd>120 ··</dd>
121 </dl>121 </dl>
  
122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d20/a01790_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../d2/d20/a01790_source.html">reissCavFreeEnergyProcessor.h</a>.</p>122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d18/a01925_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../d6/d18/a01925_source.html">reissCavFreeEnergyProcessor.h</a>.</p>
  
123 </div>123 </div>
124 </div>124 </div>
125 <a·id="ab1a980e2232428b209f8526608ed2e2e"·name="ab1a980e2232428b209f8526608ed2e2e"></a>125 <a·id="ab1a980e2232428b209f8526608ed2e2e"·name="ab1a980e2232428b209f8526608ed2e2e"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#ab1a980e2232428b209f8526608ed2e2e">&#9670;&nbsp;</a></span>PRESSURE</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#ab1a980e2232428b209f8526608ed2e2e">&#9670;&nbsp;</a></span>PRESSURE</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
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147 <dl·class="params"><dt>Parameters</dt><dd>147 <dl·class="params"><dt>Parameters</dt><dd>
148 ··<table·class="params">148 ··<table·class="params">
149 ····<tr><td·class="paramname">pressure</td><td>float·</td></tr>149 ····<tr><td·class="paramname">pressure</td><td>float·</td></tr>
150 ··</table>150 ··</table>
151 ··</dd>151 ··</dd>
152 </dl>152 </dl>
  
153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d20/a01790_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../d2/d20/a01790_source.html">reissCavFreeEnergyProcessor.h</a>.</p>153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d18/a01925_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../d6/d18/a01925_source.html">reissCavFreeEnergyProcessor.h</a>.</p>
  
154 </div>154 </div>
155 </div>155 </div>
156 <a·id="a76c95e43115b52f5348987f0aa419549"·name="a76c95e43115b52f5348987f0aa419549"></a>156 <a·id="a76c95e43115b52f5348987f0aa419549"·name="a76c95e43115b52f5348987f0aa419549"></a>
157 <h2·class="memtitle"><span·class="permalink"><a·href="#a76c95e43115b52f5348987f0aa419549">&#9670;&nbsp;</a></span>PROBE_RADIUS</h2>157 <h2·class="memtitle"><span·class="permalink"><a·href="#a76c95e43115b52f5348987f0aa419549">&#9670;&nbsp;</a></span>PROBE_RADIUS</h2>
  
158 <div·class="memitem">158 <div·class="memitem">
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178 <dl·class="params"><dt>Parameters</dt><dd>178 <dl·class="params"><dt>Parameters</dt><dd>
179 ··<table·class="params">179 ··<table·class="params">
180 ····<tr><td·class="paramname">probe_radius</td><td>float;·</td></tr>180 ····<tr><td·class="paramname">probe_radius</td><td>float;·</td></tr>
181 ··</table>181 ··</table>
182 ··</dd>182 ··</dd>
183 </dl>183 </dl>
  
184 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d20/a01790_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../d2/d20/a01790_source.html">reissCavFreeEnergyProcessor.h</a>.</p>184 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d18/a01925_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../d6/d18/a01925_source.html">reissCavFreeEnergyProcessor.h</a>.</p>
  
185 </div>185 </div>
186 </div>186 </div>
187 <a·id="a21b09cf4b9f6707eea551b8b68353b8d"·name="a21b09cf4b9f6707eea551b8b68353b8d"></a>187 <a·id="a21b09cf4b9f6707eea551b8b68353b8d"·name="a21b09cf4b9f6707eea551b8b68353b8d"></a>
188 <h2·class="memtitle"><span·class="permalink"><a·href="#a21b09cf4b9f6707eea551b8b68353b8d">&#9670;&nbsp;</a></span>SOLVENT_NUMBER_DENSITY</h2>188 <h2·class="memtitle"><span·class="permalink"><a·href="#a21b09cf4b9f6707eea551b8b68353b8d">&#9670;&nbsp;</a></span>SOLVENT_NUMBER_DENSITY</h2>
  
189 <div·class="memitem">189 <div·class="memitem">
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209 <dl·class="params"><dt>Parameters</dt><dd>209 <dl·class="params"><dt>Parameters</dt><dd>
210 ··<table·class="params">210 ··<table·class="params">
211 ····<tr><td·class="paramname">solvent_number_density</td><td>float·</td></tr>211 ····<tr><td·class="paramname">solvent_number_density</td><td>float·</td></tr>
212 ··</table>212 ··</table>
213 ··</dd>213 ··</dd>
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215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d20/a01790_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../d2/d20/a01790_source.html">reissCavFreeEnergyProcessor.h</a>.</p>215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d18/a01925_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../d6/d18/a01925_source.html">reissCavFreeEnergyProcessor.h</a>.</p>
  
216 </div>216 </div>
217 </div>217 </div>
218 <a·id="aa4a557f7f630c5c88ea4f4cd0b87e9ba"·name="aa4a557f7f630c5c88ea4f4cd0b87e9ba"></a>218 <a·id="aa4a557f7f630c5c88ea4f4cd0b87e9ba"·name="aa4a557f7f630c5c88ea4f4cd0b87e9ba"></a>
219 <h2·class="memtitle"><span·class="permalink"><a·href="#aa4a557f7f630c5c88ea4f4cd0b87e9ba">&#9670;&nbsp;</a></span>VERBOSITY</h2>219 <h2·class="memtitle"><span·class="permalink"><a·href="#aa4a557f7f630c5c88ea4f4cd0b87e9ba">&#9670;&nbsp;</a></span>VERBOSITY</h2>
  
220 <div·class="memitem">220 <div·class="memitem">
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240 <dl·class="params"><dt>Parameters</dt><dd>240 <dl·class="params"><dt>Parameters</dt><dd>
241 ··<table·class="params">241 ··<table·class="params">
242 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>242 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>
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244 ··</dd>244 ··</dd>
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63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">typeRuleProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">dockResultFile.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d8a/a00899_source.html">BALL/MOLMEC/COMMON/ruleProcessor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d92/a00929_source.html">BALL/FORMAT/PDBFile.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../dc/dbf/a01595_source.html">BALL/DOCKING/COMMON/result.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d2/dc1/a01562_source.html">BALL/DOCKING/COMMON/receptor.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;QtXml/QXmlDefaultHandler&gt;</code><br·/>
 79 <code>#include·&lt;QtCore/QXmlStreamReader&gt;</code><br·/>
 80 <code>#include·&lt;QtCore/QXmlStreamWriter&gt;</code><br·/>
 81 <code>#include·&lt;QtCore/QFile&gt;</code><br·/>
 82 <code>#include·&lt;QtCore/QTemporaryFile&gt;</code><br·/>
 83 <code>#include·&lt;vector&gt;</code><br·/>
75 </div>84 </div>
76 <p><a·href="../../da/d5b/a00905_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../da/d5b/a00905_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">86 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>88 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dc4/a05134.html">BALL::TypeRuleProcessor</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d94/a03882.html">BALL::DockResultFile</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
84 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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72 <a·href="../../d8/de9/a06767.html">List·of·all·members</a>··</div>72 <a·href="../../d8/de9/a06767.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::ComputingData_·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::ComputingData_·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d2a/a00632_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8e/a01694_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a08b3e84a6aefd21fdc784c3380f083f0"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d5f/a06770.html#a08b3e84a6aefd21fdc784c3380f083f0">ComputingData_</a>·()</td></tr>80 <tr·class="memitem:a08b3e84a6aefd21fdc784c3380f083f0"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d5f/a06770.html#a08b3e84a6aefd21fdc784c3380f083f0">ComputingData_</a>·()</td></tr>
81 <tr·class="separator:a08b3e84a6aefd21fdc784c3380f083f0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a08b3e84a6aefd21fdc784c3380f083f0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:ac00c63f4007696405a9329bcd02b2791"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d5f/a06770.html#ac00c63f4007696405a9329bcd02b2791">~ComputingData_</a>·()</td></tr>82 <tr·class="memitem:ac00c63f4007696405a9329bcd02b2791"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d5f/a06770.html#ac00c63f4007696405a9329bcd02b2791">~ComputingData_</a>·()</td></tr>
83 <tr·class="separator:ac00c63f4007696405a9329bcd02b2791"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:ac00c63f4007696405a9329bcd02b2791"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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93 <tr·class="separator:a465d2dd286316157df73503751e73b4a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:a465d2dd286316157df73503751e73b4a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 <tr·class="memitem:a3caa2f7c759853e2bcf4fdbe7763b323"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·const·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d5f/a06770.html#a3caa2f7c759853e2bcf4fdbe7763b323">bonds</a></td></tr>94 <tr·class="memitem:a3caa2f7c759853e2bcf4fdbe7763b323"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·const·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d5f/a06770.html#a3caa2f7c759853e2bcf4fdbe7763b323">bonds</a></td></tr>
95 <tr·class="separator:a3caa2f7c759853e2bcf4fdbe7763b323"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:a3caa2f7c759853e2bcf4fdbe7763b323"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table>96 </table>
97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
98 <div·class="textblock"><p·>This·data·structure·contains·all·algorithm·data·which·is·generated·during·the·#start·function·and·which·can·be·shared·above·more·than·one·<a·class="el"·href="../../d4/d24/a06742.html">FPTBondOrderStrategy</a>·"iterator",·if·they·compute·all·the·same·molecule·with·the·same·penalty·table.·</p>98 <div·class="textblock"><p·>This·data·structure·contains·all·algorithm·data·which·is·generated·during·the·#start·function·and·which·can·be·shared·above·more·than·one·<a·class="el"·href="../../d4/d24/a06742.html">FPTBondOrderStrategy</a>·"iterator",·if·they·compute·all·the·same·molecule·with·the·same·penalty·table.·</p>
  
99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00650">650</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00650">650</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
100 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>100 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
101 <a·id="a08b3e84a6aefd21fdc784c3380f083f0"·name="a08b3e84a6aefd21fdc784c3380f083f0"></a>101 <a·id="a08b3e84a6aefd21fdc784c3380f083f0"·name="a08b3e84a6aefd21fdc784c3380f083f0"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#a08b3e84a6aefd21fdc784c3380f083f0">&#9670;&nbsp;</a></span>ComputingData_()</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#a08b3e84a6aefd21fdc784c3380f083f0">&#9670;&nbsp;</a></span>ComputingData_()</h2>
  
103 <div·class="memitem">103 <div·class="memitem">
104 <div·class="memproto">104 <div·class="memproto">
105 ······<table·class="memname">105 ······<table·class="memname">
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145 ········<tr>145 ········<tr>
146 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../dc/d0a/a06766.html">FPTBondOrderAssignment_</a>*&gt;·BALL::FPTBondOrderStrategy::ComputingData_::bond_assignments</td>146 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../dc/d0a/a06766.html">FPTBondOrderAssignment_</a>*&gt;·BALL::FPTBondOrderStrategy::ComputingData_::bond_assignments</td>
147 ········</tr>147 ········</tr>
148 ······</table>148 ······</table>
149 </div><div·class="memdoc">149 </div><div·class="memdoc">
150 <p·>The·bond·assignments·for·each·connection·component·of·this·molecule·</p>150 <p·>The·bond·assignments·for·each·connection·component·of·this·molecule·</p>
  
151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00666">666</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00666">666</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
152 </div>152 </div>
153 </div>153 </div>
154 <a·id="a3caa2f7c759853e2bcf4fdbe7763b323"·name="a3caa2f7c759853e2bcf4fdbe7763b323"></a>154 <a·id="a3caa2f7c759853e2bcf4fdbe7763b323"·name="a3caa2f7c759853e2bcf4fdbe7763b323"></a>
155 <h2·class="memtitle"><span·class="permalink"><a·href="#a3caa2f7c759853e2bcf4fdbe7763b323">&#9670;&nbsp;</a></span>bonds</h2>155 <h2·class="memtitle"><span·class="permalink"><a·href="#a3caa2f7c759853e2bcf4fdbe7763b323">&#9670;&nbsp;</a></span>bonds</h2>
  
156 <div·class="memitem">156 <div·class="memitem">
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163 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·const·*&gt;·BALL::FPTBondOrderStrategy::ComputingData_::bonds</td>163 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·const·*&gt;·BALL::FPTBondOrderStrategy::ComputingData_::bonds</td>
164 ········</tr>164 ········</tr>
165 ······</table>165 ······</table>
166 </div><div·class="memdoc">166 </div><div·class="memdoc">
167 <p·>a·vector·with·pointers·to·the·bonds·of·the·atom·container.·The·order·of·this·bonds·in·the·vector·is·the·same·as·the·order·of·the·bond·values·in·the·assignments.·</p>167 <p·>a·vector·with·pointers·to·the·bonds·of·the·atom·container.·The·order·of·this·bonds·in·the·vector·is·the·same·as·the·order·of·the·bond·values·in·the·assignments.·</p>
  
168 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00682">682</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>168 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00682">682</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
169 </div>169 </div>
170 </div>170 </div>
171 <a·id="a0cf163daadd68099750f3bb8ef129f0a"·name="a0cf163daadd68099750f3bb8ef129f0a"></a>171 <a·id="a0cf163daadd68099750f3bb8ef129f0a"·name="a0cf163daadd68099750f3bb8ef129f0a"></a>
172 <h2·class="memtitle"><span·class="permalink"><a·href="#a0cf163daadd68099750f3bb8ef129f0a">&#9670;&nbsp;</a></span>molecule_graph</h2>172 <h2·class="memtitle"><span·class="permalink"><a·href="#a0cf163daadd68099750f3bb8ef129f0a">&#9670;&nbsp;</a></span>molecule_graph</h2>
  
173 <div·class="memitem">173 <div·class="memitem">
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180 ··········<td·class="memname"><a·class="el"·href="../../d4/d60/a03446.html">MolecularGraph</a>*·BALL::FPTBondOrderStrategy::ComputingData_::molecule_graph</td>180 ··········<td·class="memname"><a·class="el"·href="../../d4/d60/a03446.html">MolecularGraph</a>*·BALL::FPTBondOrderStrategy::ComputingData_::molecule_graph</td>
181 ········</tr>181 ········</tr>
182 ······</table>182 ······</table>
183 </div><div·class="memdoc">183 </div><div·class="memdoc">
184 <p·>the·molecule·graph·</p>184 <p·>the·molecule·graph·</p>
  
185 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00671">671</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>185 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00671">671</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
186 </div>186 </div>
187 </div>187 </div>
188 <a·id="a465d2dd286316157df73503751e73b4a"·name="a465d2dd286316157df73503751e73b4a"></a>188 <a·id="a465d2dd286316157df73503751e73b4a"·name="a465d2dd286316157df73503751e73b4a"></a>
189 <h2·class="memtitle"><span·class="permalink"><a·href="#a465d2dd286316157df73503751e73b4a">&#9670;&nbsp;</a></span>tw</h2>189 <h2·class="memtitle"><span·class="permalink"><a·href="#a465d2dd286316157df73503751e73b4a">&#9670;&nbsp;</a></span>tw</h2>
  
190 <div·class="memitem">190 <div·class="memitem">
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196 ········<tr>196 ········<tr>
197 ··········<td·class="memname">boost::shared_ptr&lt;<a·class="el"·href="../../d5/d35/a03454.html">TreeWidth</a>&lt;<a·class="el"·href="../../d4/d60/a03446.html">MolecularGraph</a>&gt;·&gt;·BALL::FPTBondOrderStrategy::ComputingData_::tw</td>197 ··········<td·class="memname">boost::shared_ptr&lt;<a·class="el"·href="../../d5/d35/a03454.html">TreeWidth</a>&lt;<a·class="el"·href="../../d4/d60/a03446.html">MolecularGraph</a>&gt;·&gt;·BALL::FPTBondOrderStrategy::ComputingData_::tw</td>
198 ········</tr>198 ········</tr>
199 ······</table>199 ······</table>
200 </div><div·class="memdoc">200 </div><div·class="memdoc">
201 <p·>The·nice·tree·decompositions·for·each·connection·component·</p>201 <p·>The·nice·tree·decompositions·for·each·connection·component·</p>
  
202 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00676">676</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>202 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00676">676</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
203 </div>203 </div>
204 </div>204 </div>
205 </div><!--·contents·-->205 </div><!--·contents·-->
206 <!--·start·footer·part·-->206 <!--·start·footer·part·-->
207 <hr·class="footer"/><address·class="footer"><small>207 <hr·class="footer"/><address·class="footer"><small>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d7/d23/a08155.html">List·of·all·members</a>··</div>70 <a·href="../../d7/d23/a08155.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Box·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Box·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../da/df7/a01457_source.html">BALL/VIEW/PRIMITIVES/box.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d7/d38/a01373_source.html">BALL/VIEW/PRIMITIVES/box.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::Box:</div>76 Inheritance·diagram·for·BALL::VIEW::Box:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../da/d63/a08158.png"·usemap="#BALL::VIEW::Box_map"·alt=""/>79 ··<img·src="../../da/d63/a08158.png"·usemap="#BALL::VIEW::Box_map"·alt=""/>
80 ··<map·id="BALL::VIEW::Box_map"·name="BALL::VIEW::Box_map">80 ··<map·id="BALL::VIEW::Box_map"·name="BALL::VIEW::Box_map">
81 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>81 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>
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240 <tr·class="memitem:aab5d47c3abe3cfd44eda1953c618091a·inherit·pro_attribs_a04782"><td·class="memItemLeft"·align="right"·valign="top">T&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da6/a04782.html#aab5d47c3abe3cfd44eda1953c618091a">depth_</a></td></tr>240 <tr·class="memitem:aab5d47c3abe3cfd44eda1953c618091a·inherit·pro_attribs_a04782"><td·class="memItemLeft"·align="right"·valign="top">T&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da6/a04782.html#aab5d47c3abe3cfd44eda1953c618091a">depth_</a></td></tr>
241 <tr·class="separator:aab5d47c3abe3cfd44eda1953c618091a·inherit·pro_attribs_a04782"><td·class="memSeparator"·colspan="2">&#160;</td></tr>241 <tr·class="separator:aab5d47c3abe3cfd44eda1953c618091a·inherit·pro_attribs_a04782"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
242 </table>242 </table>
243 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>243 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
244 <div·class="textblock"><p·><a·class="el"·href="../../da/d63/a08158.html">Box</a>·class.·<br··/>244 <div·class="textblock"><p·><a·class="el"·href="../../da/d63/a08158.html">Box</a>·class.·<br··/>
245 ·An·instance·of·this·class·represents·an·instance·of·the·geometric·representation·of·a·threedimensional·box.·The·class·<a·class="el"·href="../../da/d63/a08158.html">Box</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·Box3.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>245 ·An·instance·of·this·class·represents·an·instance·of·the·geometric·representation·of·a·threedimensional·box.·The·class·<a·class="el"·href="../../da/d63/a08158.html">Box</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·Box3.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
246 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/df7/a01457_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../da/df7/a01457_source.html">box.h</a>.</p>246 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d38/a01373_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d7/d38/a01373_source.html">box.h</a>.</p>
247 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>247 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
248 <a·id="aad545f67f332d12e67b27a84c262fe24"·name="aad545f67f332d12e67b27a84c262fe24"></a>248 <a·id="aad545f67f332d12e67b27a84c262fe24"·name="aad545f67f332d12e67b27a84c262fe24"></a>
249 <h2·class="memtitle"><span·class="permalink"><a·href="#aad545f67f332d12e67b27a84c262fe24">&#9670;&nbsp;</a></span>Box()·<span·class="overload">[1/4]</span></h2>249 <h2·class="memtitle"><span·class="permalink"><a·href="#aad545f67f332d12e67b27a84c262fe24">&#9670;&nbsp;</a></span>Box()·<span·class="overload">[1/4]</span></h2>
  
250 <div·class="memitem">250 <div·class="memitem">
251 <div·class="memproto">251 <div·class="memproto">
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../da/dde/a05663.html">List·of·all·members</a>··</div>70 <a·href="../../da/dde/a05663.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::Descriptor·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::Descriptor·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d4/d9b/a02039_source.html">BALL/QSAR/descriptor.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d2/d9d/a00464_source.html">BALL/QSAR/descriptor.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::Descriptor:</div>76 Inheritance·diagram·for·BALL::Descriptor:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../da/d64/a05666.png"·usemap="#BALL::Descriptor_map"·alt=""/>79 ··<img·src="../../da/d64/a05666.png"·usemap="#BALL::Descriptor_map"·alt=""/>
80 ··<map·id="BALL::Descriptor_map"·name="BALL::Descriptor_map">80 ··<map·id="BALL::Descriptor_map"·name="BALL::Descriptor_map">
81 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·AtomContainer·&gt;"·shape="rect"·coords="1053,56,1394,80"/>81 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·AtomContainer·&gt;"·shape="rect"·coords="1053,56,1394,80"/>
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213 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>213 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
214 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>214 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
215 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>215 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
216 </table>216 </table>
217 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>217 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
218 <div·class="textblock"><p·>Generic·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·molecular·descriptor·class.·\·</p>218 <div·class="textblock"><p·>Generic·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·molecular·descriptor·class.·\·</p>
  
219 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a02039_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d4/d9b/a02039_source.html">descriptor.h</a>.</p>219 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d9d/a00464_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d2/d9d/a00464_source.html">descriptor.h</a>.</p>
220 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>220 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
221 <a·id="a89cec3a3e88d9dbd1ba350cc9e6bf72a"·name="a89cec3a3e88d9dbd1ba350cc9e6bf72a"></a>221 <a·id="a89cec3a3e88d9dbd1ba350cc9e6bf72a"·name="a89cec3a3e88d9dbd1ba350cc9e6bf72a"></a>
222 <h2·class="memtitle"><span·class="permalink"><a·href="#a89cec3a3e88d9dbd1ba350cc9e6bf72a">&#9670;&nbsp;</a></span>Descriptor()·<span·class="overload">[1/4]</span></h2>222 <h2·class="memtitle"><span·class="permalink"><a·href="#a89cec3a3e88d9dbd1ba350cc9e6bf72a">&#9670;&nbsp;</a></span>Descriptor()·<span·class="overload">[1/4]</span></h2>
  
223 <div·class="memitem">223 <div·class="memitem">
224 <div·class="memproto">224 <div·class="memproto">
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8 <title>BALL:·johnsonBoveyShiftProcessor.h·File·Reference</title>8 <title>BALL:·classificationValidation.h·File·Reference</title>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
65 </div>65 </div>
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">johnsonBoveyShiftProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">classificationValidation.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/def/a00446_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d8/d23/a00326_source.html">BALL/KERNEL/expression.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d2/d9d/a00464_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d9/d4a/a00479_source.html">BALL/QSAR/validation.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d9/d17/a01937_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../df/d98/a00107_source.html">BALL/FORMAT/parameters.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../d3/d00/a00113_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;list&gt;</code><br·/>76 <code>#include·&lt;iterator&gt;</code><br·/>
81 </div>77 </div>
82 <p><a·href="../../da/d65/a00458_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../da/d65/a00458_source.html">Go·to·the·source·code·of·this·file.</a></p>
83 <table·class="memberdecls">79 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d88/a05510.html">BALL::JohnsonBoveyShiftProcessor::Ring</a></td></tr> 
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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92 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
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100 ········</tr>100 ········</tr>
101 ······</table>101 ······</table>
102 </div><div·class="memdoc">102 </div><div·class="memdoc">
103 <p·>A·string·hash·set.·This·is·just·a·convenience·class.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>103 <p·>A·string·hash·set.·This·is·just·a·convenience·class.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd5/a01886_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d9/dd5/a01886_source.html">stringHashSet.h</a>.</p>104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d04/a00713_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d1/d04/a00713_source.html">stringHashSet.h</a>.</p>
  
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106 </div>106 </div>
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108 <!--·start·footer·part·-->108 <!--·start·footer·part·-->
109 <hr·class="footer"/><address·class="footer"><small>109 <hr·class="footer"/><address·class="footer"><small>
110 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4110 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../db/d1c/a07567.html">List·of·all·members</a>··</div>70 <a·href="../../db/d1c/a07567.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../dc/d10/a01412_source.html">BALL/VIEW/DIALOGS/dockDialog.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d3/d53/a01262_source.html">BALL/VIEW/DIALOGS/dockDialog.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::DockDialog:</div>76 Inheritance·diagram·for·BALL::VIEW::DockDialog:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../da/d6b/a07570.png"·usemap="#BALL::VIEW::DockDialog_map"·alt=""/>79 ··<img·src="../../da/d6b/a07570.png"·usemap="#BALL::VIEW::DockDialog_map"·alt=""/>
80 ··<map·id="BALL::VIEW::DockDialog_map"·name="BALL::VIEW::DockDialog_map">80 ··<map·id="BALL::VIEW::DockDialog_map"·name="BALL::VIEW::DockDialog_map">
81 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,186,24"/>81 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,186,24"/>
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246 <tr·class="separator:afcd01733c038e845ad6fb5e284e89238·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>246 <tr·class="separator:afcd01733c038e845ad6fb5e284e89238·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
247 <tr·class="memitem:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d3d/a07926.html#a257b5f0e49b1f24294c315d4d7363693">StackPages</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ab7942bdf4c88f10d41eec3aa452bbed5">stack_pages_</a></td></tr>247 <tr·class="memitem:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d3d/a07926.html#a257b5f0e49b1f24294c315d4d7363693">StackPages</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ab7942bdf4c88f10d41eec3aa452bbed5">stack_pages_</a></td></tr>
248 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>248 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
249 </table>249 </table>
250 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>250 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
251 <div·class="textblock"><p·>Dialog·for·docking·/·redocking·two·systems.·In·this·dialog·the·user·choose·the·two·docking·partners,·the·docking·algorithm·and·the·scoring·function.·Furthermore·he·can·set·the·options·for·the·algorithm·and·scroing·function·and·can·apply·processors·to·the·docking·parnters.·For·redocking·he·can·specify·the·euler·angles.·</p>251 <div·class="textblock"><p·>Dialog·for·docking·/·redocking·two·systems.·In·this·dialog·the·user·choose·the·two·docking·partners,·the·docking·algorithm·and·the·scoring·function.·Furthermore·he·can·set·the·options·for·the·algorithm·and·scroing·function·and·can·apply·processors·to·the·docking·parnters.·For·redocking·he·can·specify·the·euler·angles.·</p>
  
252 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d10/a01412_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../dc/d10/a01412_source.html">dockDialog.h</a>.</p>252 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d53/a01262_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d3/d53/a01262_source.html">dockDialog.h</a>.</p>
253 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>253 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
254 <a·id="a1cb2efb8451413f41a74c41365caad9f"·name="a1cb2efb8451413f41a74c41365caad9f"></a>254 <a·id="a1cb2efb8451413f41a74c41365caad9f"·name="a1cb2efb8451413f41a74c41365caad9f"></a>
255 <h2·class="memtitle"><span·class="permalink"><a·href="#a1cb2efb8451413f41a74c41365caad9f">&#9670;&nbsp;</a></span>DockDialog()</h2>255 <h2·class="memtitle"><span·class="permalink"><a·href="#a1cb2efb8451413f41a74c41365caad9f">&#9670;&nbsp;</a></span>DockDialog()</h2>
  
256 <div·class="memitem">256 <div·class="memitem">
257 <div·class="memproto">257 <div·class="memproto">
258 ······<table·class="memname">258 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d7/dba/a07283.html">List·of·all·members</a>··</div>70 <a·href="../../d7/dba/a07283.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::StructureMapper·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../df/d0e/a02195.html">Mapping·of·molecular·structures</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::StructureMapper·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../df/d0e/a02195.html">Mapping·of·molecular·structures</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d5/d8a/a00599_source.html">BALL/STRUCTURE/structureMapper.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d3/d4c/a01724_source.html">BALL/STRUCTURE/structureMapper.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::StructureMapper:</div>76 Inheritance·diagram·for·BALL::StructureMapper:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../da/d6c/a07286.png"·usemap="#BALL::StructureMapper_map"·alt=""/>79 ··<img·src="../../da/d6c/a07286.png"·usemap="#BALL::StructureMapper_map"·alt=""/>
80 ··<map·id="BALL::StructureMapper_map"·name="BALL::StructureMapper_map">80 ··<map·id="BALL::StructureMapper_map"·name="BALL::StructureMapper_map">
81 <area·href="../../d3/d4f/a06898.html"·alt="BALL::TransformationProcessor"·shape="rect"·coords="0,112,286,136"/>81 <area·href="../../d3/d4f/a06898.html"·alt="BALL::TransformationProcessor"·shape="rect"·coords="0,112,286,136"/>
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170 <tr·class="inherit_header·pro_attribs_a06898"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a06898')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/d4f/a06898.html">BALL::TransformationProcessor</a></td></tr>170 <tr·class="inherit_header·pro_attribs_a06898"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a06898')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/d4f/a06898.html">BALL::TransformationProcessor</a></td></tr>
171 <tr·class="memitem:a26af89b5a2e5a67496303e6fc87cced3·inherit·pro_attribs_a06898"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../df/de9/a02153.html#ga1e3aae59e2c9d5008df5b58ecd7bc99a">Matrix4x4</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d4f/a06898.html#a26af89b5a2e5a67496303e6fc87cced3">transformation_</a></td></tr>171 <tr·class="memitem:a26af89b5a2e5a67496303e6fc87cced3·inherit·pro_attribs_a06898"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../df/de9/a02153.html#ga1e3aae59e2c9d5008df5b58ecd7bc99a">Matrix4x4</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d4f/a06898.html#a26af89b5a2e5a67496303e6fc87cced3">transformation_</a></td></tr>
172 <tr·class="separator:a26af89b5a2e5a67496303e6fc87cced3·inherit·pro_attribs_a06898"><td·class="memSeparator"·colspan="2">&#160;</td></tr>172 <tr·class="separator:a26af89b5a2e5a67496303e6fc87cced3·inherit·pro_attribs_a06898"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
173 </table>173 </table>
174 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>174 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
175 <div·class="textblock"><p·>Structure·mapping·class.·</p>175 <div·class="textblock"><p·>Structure·mapping·class.·</p>
  
176 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8a/a00599_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d5/d8a/a00599_source.html">structureMapper.h</a>.</p>176 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4c/a01724_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d3/d4c/a01724_source.html">structureMapper.h</a>.</p>
177 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>177 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
178 <a·id="adf79978cfcb74b1b47f1094376fec3c5"·name="adf79978cfcb74b1b47f1094376fec3c5"></a>178 <a·id="adf79978cfcb74b1b47f1094376fec3c5"·name="adf79978cfcb74b1b47f1094376fec3c5"></a>
179 <h2·class="memtitle"><span·class="permalink"><a·href="#adf79978cfcb74b1b47f1094376fec3c5">&#9670;&nbsp;</a></span>StructureMapper()·<span·class="overload">[1/2]</span></h2>179 <h2·class="memtitle"><span·class="permalink"><a·href="#adf79978cfcb74b1b47f1094376fec3c5">&#9670;&nbsp;</a></span>StructureMapper()·<span·class="overload">[1/2]</span></h2>
  
180 <div·class="memitem">180 <div·class="memitem">
181 <div·class="memproto">181 <div·class="memproto">
182 ······<table·class="memname">182 ······<table·class="memname">
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399 ··<td·class="mlabels-right">399 ··<td·class="mlabels-right">
400 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>400 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
401 ··</tr>401 ··</tr>
402 </table>402 </table>
403 </div><div·class="memdoc">403 </div><div·class="memdoc">
404 <p·>Return·the·current·bijection·</p>404 <p·>Return·the·current·bijection·</p>
  
405 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8a/a00599_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../d5/d8a/a00599_source.html">structureMapper.h</a>.</p>405 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4c/a01724_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../d3/d4c/a01724_source.html">structureMapper.h</a>.</p>
  
406 </div>406 </div>
407 </div>407 </div>
408 <a·id="ac8cada613a24a9d6c2dff6e835cdc1e3"·name="ac8cada613a24a9d6c2dff6e835cdc1e3"></a>408 <a·id="ac8cada613a24a9d6c2dff6e835cdc1e3"·name="ac8cada613a24a9d6c2dff6e835cdc1e3"></a>
409 <h2·class="memtitle"><span·class="permalink"><a·href="#ac8cada613a24a9d6c2dff6e835cdc1e3">&#9670;&nbsp;</a></span>mapFragments()</h2>409 <h2·class="memtitle"><span·class="permalink"><a·href="#ac8cada613a24a9d6c2dff6e835cdc1e3">&#9670;&nbsp;</a></span>mapFragments()</h2>
  
410 <div·class="memitem">410 <div·class="memitem">
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747 ··</td>747 ··</td>
748 ··<td·class="mlabels-right">748 ··<td·class="mlabels-right">
749 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>749 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
750 ··</tr>750 ··</tr>
751 </table>751 </table>
752 </div><div·class="memdoc">752 </div><div·class="memdoc">
  
753 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8a/a00599_source.html#l00153">153</a>·of·file·<a·class="el"·href="../../d5/d8a/a00599_source.html">structureMapper.h</a>.</p>753 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4c/a01724_source.html#l00153">153</a>·of·file·<a·class="el"·href="../../d3/d4c/a01724_source.html">structureMapper.h</a>.</p>
  
754 </div>754 </div>
755 </div>755 </div>
756 <a·id="a9689a4314ed5deb23d916acfa269c08c"·name="a9689a4314ed5deb23d916acfa269c08c"></a>756 <a·id="a9689a4314ed5deb23d916acfa269c08c"·name="a9689a4314ed5deb23d916acfa269c08c"></a>
757 <h2·class="memtitle"><span·class="permalink"><a·href="#a9689a4314ed5deb23d916acfa269c08c">&#9670;&nbsp;</a></span>B_</h2>757 <h2·class="memtitle"><span·class="permalink"><a·href="#a9689a4314ed5deb23d916acfa269c08c">&#9670;&nbsp;</a></span>B_</h2>
  
758 <div·class="memitem">758 <div·class="memitem">
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771 ··</td>771 ··</td>
772 ··<td·class="mlabels-right">772 ··<td·class="mlabels-right">
773 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>773 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
774 ··</tr>774 ··</tr>
775 </table>775 </table>
776 </div><div·class="memdoc">776 </div><div·class="memdoc">
  
777 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8a/a00599_source.html#l00157">157</a>·of·file·<a·class="el"·href="../../d5/d8a/a00599_source.html">structureMapper.h</a>.</p>777 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4c/a01724_source.html#l00157">157</a>·of·file·<a·class="el"·href="../../d3/d4c/a01724_source.html">structureMapper.h</a>.</p>
  
778 </div>778 </div>
779 </div>779 </div>
780 <a·id="ae2c76770fe2a2298ed8e7e6ac68fa570"·name="ae2c76770fe2a2298ed8e7e6ac68fa570"></a>780 <a·id="ae2c76770fe2a2298ed8e7e6ac68fa570"·name="ae2c76770fe2a2298ed8e7e6ac68fa570"></a>
781 <h2·class="memtitle"><span·class="permalink"><a·href="#ae2c76770fe2a2298ed8e7e6ac68fa570">&#9670;&nbsp;</a></span>bijection_</h2>781 <h2·class="memtitle"><span·class="permalink"><a·href="#ae2c76770fe2a2298ed8e7e6ac68fa570">&#9670;&nbsp;</a></span>bijection_</h2>
  
782 <div·class="memitem">782 <div·class="memitem">
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795 ··</td>795 ··</td>
796 ··<td·class="mlabels-right">796 ··<td·class="mlabels-right">
797 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>797 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
798 ··</tr>798 ··</tr>
799 </table>799 </table>
800 </div><div·class="memdoc">800 </div><div·class="memdoc">
  
801 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8a/a00599_source.html#l00162">162</a>·of·file·<a·class="el"·href="../../d5/d8a/a00599_source.html">structureMapper.h</a>.</p>801 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4c/a01724_source.html#l00162">162</a>·of·file·<a·class="el"·href="../../d3/d4c/a01724_source.html">structureMapper.h</a>.</p>
  
802 </div>802 </div>
803 </div>803 </div>
804 <a·id="a294d481a41ddd311ef383f28fa968a82"·name="a294d481a41ddd311ef383f28fa968a82"></a>804 <a·id="a294d481a41ddd311ef383f28fa968a82"·name="a294d481a41ddd311ef383f28fa968a82"></a>
805 <h2·class="memtitle"><span·class="permalink"><a·href="#a294d481a41ddd311ef383f28fa968a82">&#9670;&nbsp;</a></span>rmsd_</h2>805 <h2·class="memtitle"><span·class="permalink"><a·href="#a294d481a41ddd311ef383f28fa968a82">&#9670;&nbsp;</a></span>rmsd_</h2>
  
806 <div·class="memitem">806 <div·class="memitem">
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819 ··</td>819 ··</td>
820 ··<td·class="mlabels-right">820 ··<td·class="mlabels-right">
821 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>821 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
822 ··</tr>822 ··</tr>
823 </table>823 </table>
824 </div><div·class="memdoc">824 </div><div·class="memdoc">
  
825 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8a/a00599_source.html#l00166">166</a>·of·file·<a·class="el"·href="../../d5/d8a/a00599_source.html">structureMapper.h</a>.</p>825 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4c/a01724_source.html#l00166">166</a>·of·file·<a·class="el"·href="../../d3/d4c/a01724_source.html">structureMapper.h</a>.</p>
  
826 </div>826 </div>
827 </div>827 </div>
828 </div><!--·contents·-->828 </div><!--·contents·-->
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830 <hr·class="footer"/><address·class="footer"><small>830 <hr·class="footer"/><address·class="footer"><small>
831 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4831 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../de/d19/a03311.html">List·of·all·members</a>··</div>70 <a·href="../../de/d19/a03311.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::PersistentObject·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::PersistentObject·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d3/da1/a01613_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d5/d12/a00794_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::PersistentObject:</div>76 Inheritance·diagram·for·BALL::PersistentObject:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../da/d6e/a03314.png"·usemap="#BALL::PersistentObject_map"·alt=""/>79 ··<img·src="../../da/d6e/a03314.png"·usemap="#BALL::PersistentObject_map"·alt=""/>
80 ··<map·id="BALL::PersistentObject_map"·name="BALL::PersistentObject_map">80 ··<map·id="BALL::PersistentObject_map"·name="BALL::PersistentObject_map">
81 <area·href="../../d5/da8/a03302.html"·alt="BALL::Object"·shape="rect"·coords="0,56,170,80"/>81 <area·href="../../d5/da8/a03302.html"·alt="BALL::Object"·shape="rect"·coords="0,56,170,80"/>
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175 <tr·class="memitem:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html#a345d52e6c41aed91ec149e74a63e22bc">AutoDeletable</a>·(const·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·&amp;auto_deletable,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·deep=false)</td></tr>175 <tr·class="memitem:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html#a345d52e6c41aed91ec149e74a63e22bc">AutoDeletable</a>·(const·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·&amp;auto_deletable,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·deep=false)</td></tr>
176 <tr·class="separator:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>176 <tr·class="separator:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
177 </table>177 </table>
178 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>178 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
179 <div·class="textblock"><p·>The·persistent·object.·Each·object·that·needs·persistence,·has·to·be·derived·from·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·to·define·an·interface·to·the·<a·class="el"·href="../../d7/d2e/a03310.html">PersistenceManager·</a>·.·</p><dl·class="section·user"><dt></dt><dd>The·class·itself·has·no·functionality·except·for·the·<code>operator·&gt;&gt;</code>.·</dd></dl>179 <div·class="textblock"><p·>The·persistent·object.·Each·object·that·needs·persistence,·has·to·be·derived·from·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·to·define·an·interface·to·the·<a·class="el"·href="../../d7/d2e/a03310.html">PersistenceManager·</a>·.·</p><dl·class="section·user"><dt></dt><dd>The·class·itself·has·no·functionality·except·for·the·<code>operator·&gt;&gt;</code>.·</dd></dl>
180 <dl·class="section·user"><dt></dt><dd></dd></dl>180 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da1/a01613_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d3/da1/a01613_source.html">persistentObject.h</a>.</p>181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">persistentObject.h</a>.</p>
182 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>182 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
183 <a·id="a66e051ecda65e736c24ed58a8aa5ec9c"·name="a66e051ecda65e736c24ed58a8aa5ec9c"></a>183 <a·id="a66e051ecda65e736c24ed58a8aa5ec9c"·name="a66e051ecda65e736c24ed58a8aa5ec9c"></a>
184 <h2·class="memtitle"><span·class="permalink"><a·href="#a66e051ecda65e736c24ed58a8aa5ec9c">&#9670;&nbsp;</a></span>PersistentObject()</h2>184 <h2·class="memtitle"><span·class="permalink"><a·href="#a66e051ecda65e736c24ed58a8aa5ec9c">&#9670;&nbsp;</a></span>PersistentObject()</h2>
  
185 <div·class="memitem">185 <div·class="memitem">
186 <div·class="memproto">186 <div·class="memproto">
187 <table·class="mlabels">187 <table·class="mlabels">
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201 ··<td·class="mlabels-right">201 ··<td·class="mlabels-right">
202 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>202 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
203 ··</tr>203 ··</tr>
204 </table>204 </table>
205 </div><div·class="memdoc">205 </div><div·class="memdoc">
206 <p·>Default·constructor.·The·default·constructor·has·no·functionality.·</p>206 <p·>Default·constructor.·The·default·constructor·has·no·functionality.·</p>
  
207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da1/a01613_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d3/da1/a01613_source.html">persistentObject.h</a>.</p>207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">persistentObject.h</a>.</p>
  
208 </div>208 </div>
209 </div>209 </div>
210 <a·id="aea56d7d795c976f7d248b6aa8984f162"·name="aea56d7d795c976f7d248b6aa8984f162"></a>210 <a·id="aea56d7d795c976f7d248b6aa8984f162"·name="aea56d7d795c976f7d248b6aa8984f162"></a>
211 <h2·class="memtitle"><span·class="permalink"><a·href="#aea56d7d795c976f7d248b6aa8984f162">&#9670;&nbsp;</a></span>~PersistentObject()</h2>211 <h2·class="memtitle"><span·class="permalink"><a·href="#aea56d7d795c976f7d248b6aa8984f162">&#9670;&nbsp;</a></span>~PersistentObject()</h2>
  
212 <div·class="memitem">212 <div·class="memitem">
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229 ··<td·class="mlabels-right">229 ··<td·class="mlabels-right">
230 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>230 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
231 ··</tr>231 ··</tr>
232 </table>232 </table>
233 </div><div·class="memdoc">233 </div><div·class="memdoc">
234 <p·>Destructor.·The·destructor·has·no·functionality.·</p>234 <p·>Destructor.·The·destructor·has·no·functionality.·</p>
  
235 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da1/a01613_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d3/da1/a01613_source.html">persistentObject.h</a>.</p>235 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">persistentObject.h</a>.</p>
  
236 </div>236 </div>
237 </div>237 </div>
238 <h2·class="groupheader">Member·Function·Documentation</h2>238 <h2·class="groupheader">Member·Function·Documentation</h2>
239 <a·id="a757aba916c363e201f0d3e712e9e54a7"·name="a757aba916c363e201f0d3e712e9e54a7"></a>239 <a·id="a757aba916c363e201f0d3e712e9e54a7"·name="a757aba916c363e201f0d3e712e9e54a7"></a>
240 <h2·class="memtitle"><span·class="permalink"><a·href="#a757aba916c363e201f0d3e712e9e54a7">&#9670;&nbsp;</a></span>finalize()</h2>240 <h2·class="memtitle"><span·class="permalink"><a·href="#a757aba916c363e201f0d3e712e9e54a7">&#9670;&nbsp;</a></span>finalize()</h2>
  
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265 ····<tr><td·class="paramname"><a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a></td><td></td></tr>265 ····<tr><td·class="paramname"><a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a></td><td></td></tr>
266 ··</table>266 ··</table>
267 ··</dd>267 ··</dd>
268 </dl>268 </dl>
  
269 <p>Reimplemented·in·<a·class="el"·href="../../df/dd2/a04486.html#a7f7f74e71c2dc31b6b599ff6e065cf67">BALL::Bond</a>.</p>269 <p>Reimplemented·in·<a·class="el"·href="../../df/dd2/a04486.html#a7f7f74e71c2dc31b6b599ff6e065cf67">BALL::Bond</a>.</p>
  
270 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da1/a01613_source.html#l00103">103</a>·of·file·<a·class="el"·href="../../d3/da1/a01613_source.html">persistentObject.h</a>.</p>270 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00103">103</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">persistentObject.h</a>.</p>
  
271 </div>271 </div>
272 </div>272 </div>
273 <a·id="a509858e40894334214784c6a424e2aba"·name="a509858e40894334214784c6a424e2aba"></a>273 <a·id="a509858e40894334214784c6a424e2aba"·name="a509858e40894334214784c6a424e2aba"></a>
274 <h2·class="memtitle"><span·class="permalink"><a·href="#a509858e40894334214784c6a424e2aba">&#9670;&nbsp;</a></span>operator&gt;&gt;()</h2>274 <h2·class="memtitle"><span·class="permalink"><a·href="#a509858e40894334214784c6a424e2aba">&#9670;&nbsp;</a></span>operator&gt;&gt;()</h2>
  
275 <div·class="memitem">275 <div·class="memitem">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="../../d3/d0e/a06403.html">List·of·all·members</a>··</div>72 <a·href="../../d3/d0e/a06403.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::PBScoring·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::PBScoring·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d0/d61/a00302_source.html">BALL/SCORING/FUNCTIONS/PBScoring.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d8/de7/a02030_source.html">BALL/SCORING/FUNCTIONS/PBScoring.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::PBScoring:</div>78 Inheritance·diagram·for·BALL::PBScoring:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../da/d70/a06406.png"·usemap="#BALL::PBScoring_map"·alt=""/>81 ··<img·src="../../da/d70/a06406.png"·usemap="#BALL::PBScoring_map"·alt=""/>
82 ··<map·id="BALL::PBScoring_map"·name="BALL::PBScoring_map">82 ··<map·id="BALL::PBScoring_map"·name="BALL::PBScoring_map">
83 <area·href="../../d0/d64/a06166.html"·alt="BALL::ScoringFunction"·shape="rect"·coords="0,0,142,24"/>83 <area·href="../../d0/d64/a06166.html"·alt="BALL::ScoringFunction"·shape="rect"·coords="0,0,142,24"/>
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393 <tr·class="memitem:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a6884ad80f5b4a53ac9075b09e080488c">rotatable_ligand_bonds_</a>·{}</td></tr>393 <tr·class="memitem:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a6884ad80f5b4a53ac9075b09e080488c">rotatable_ligand_bonds_</a>·{}</td></tr>
394 <tr·class="separator:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>394 <tr·class="separator:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
395 <tr·class="memitem:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·list&lt;·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a1b984092e5214e6adbd1cdf8b6b62976">flexres_org_positions_</a>·{}</td></tr>395 <tr·class="memitem:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·list&lt;·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a1b984092e5214e6adbd1cdf8b6b62976">flexres_org_positions_</a>·{}</td></tr>
396 <tr·class="separator:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>396 <tr·class="separator:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
397 </table>397 </table>
398 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>398 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
399 <div·class="textblock">399 <div·class="textblock">
400 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d61/a00302_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d0/d61/a00302_source.html">PBScoring.h</a>.</p>400 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/de7/a02030_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d8/de7/a02030_source.html">PBScoring.h</a>.</p>
401 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>401 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
402 <a·id="a7c05d987656c2b4b6168491841ed1ece"·name="a7c05d987656c2b4b6168491841ed1ece"></a>402 <a·id="a7c05d987656c2b4b6168491841ed1ece"·name="a7c05d987656c2b4b6168491841ed1ece"></a>
403 <h2·class="memtitle"><span·class="permalink"><a·href="#a7c05d987656c2b4b6168491841ed1ece">&#9670;&nbsp;</a></span>PBScoring()·<span·class="overload">[1/2]</span></h2>403 <h2·class="memtitle"><span·class="permalink"><a·href="#a7c05d987656c2b4b6168491841ed1ece">&#9670;&nbsp;</a></span>PBScoring()·<span·class="overload">[1/2]</span></h2>
  
404 <div·class="memitem">404 <div·class="memitem">
405 <div·class="memproto">405 <div·class="memproto">
406 ······<table·class="memname">406 ······<table·class="memname">
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72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d4e/a00329_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d1b/a00827_source.html">BALL/CONCEPT/bidirectionalIterator.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d7/dcf/a00845_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>
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76 <p><a·href="../../da/d7e/a00530_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../da/d7e/a00530_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">79 <table·class="memberdecls">
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 110 <p·>A·macro·defining·kernel·iterators.·This·macro·allows·th·definition·of·arbitrary·bidirectional·iterators·for·kernel·container·classes.·Multiple·iterator·definition·macros·can·be·included·at·the·same·time,·thus·enabling·the·iteration·over·different·types·of·kernel·objects.·Each·macro·defines·beginX()/endX()·(const·and·mutable)·and·rendX()/rbeginX()·where·X·is·the·type·of·item·to·iterate·over.·</p>
  
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108 <tr·class="separator:a43f81cf09910a62c6ca559d11c514167"><td·class="memSeparator"·colspan="2">&#160;</td></tr>108 <tr·class="separator:a43f81cf09910a62c6ca559d11c514167"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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115 <h2·class="memtitle"><span·class="permalink"><a·href="#aa23878d92d03d8b3256ea84bf19dfcad">&#9670;&nbsp;</a></span>ConstIterator</h2>115 <h2·class="memtitle"><span·class="permalink"><a·href="#aa23878d92d03d8b3256ea84bf19dfcad">&#9670;&nbsp;</a></span>ConstIterator</h2>
  
116 <div·class="memitem">116 <div·class="memitem">
117 <div·class="memproto">117 <div·class="memproto">
118 ······<table·class="memname">118 ······<table·class="memname">
119 ········<tr>119 ········<tr>
120 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../d4/d36/a07462.html">VIEW::ColorRGBA</a>&gt;::const_iterator·<a·class="el"·href="../../da/d7e/a05558.html#aa23878d92d03d8b3256ea84bf19dfcad">BALL::PyColorRGBAVector::ConstIterator</a></td>120 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../d4/d36/a07462.html">VIEW::ColorRGBA</a>&gt;::const_iterator·<a·class="el"·href="../../da/d7e/a05558.html#aa23878d92d03d8b3256ea84bf19dfcad">BALL::PyColorRGBAVector::ConstIterator</a></td>
121 ········</tr>121 ········</tr>
122 ······</table>122 ······</table>
123 </div><div·class="memdoc">123 </div><div·class="memdoc">
124 <p·><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·iterator·type.·</p>124 <p·><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·iterator·type.·</p>
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/df8/a00155_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d3/df8/a00155_source.html">pyColorRGBAVector.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d95/a00299_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../df/d95/a00299_source.html">pyColorRGBAVector.h</a>.</p>
  
126 </div>126 </div>
127 </div>127 </div>
128 <a·id="afd1a23ce62e04d2e91ee01057ff947d1"·name="afd1a23ce62e04d2e91ee01057ff947d1"></a>128 <a·id="afd1a23ce62e04d2e91ee01057ff947d1"·name="afd1a23ce62e04d2e91ee01057ff947d1"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#afd1a23ce62e04d2e91ee01057ff947d1">&#9670;&nbsp;</a></span>Iterator</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#afd1a23ce62e04d2e91ee01057ff947d1">&#9670;&nbsp;</a></span>Iterator</h2>
  
130 <div·class="memitem">130 <div·class="memitem">
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138 ········<tr>138 ········<tr>
139 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../d4/d36/a07462.html">VIEW::ColorRGBA</a>&gt;::iterator·<a·class="el"·href="../../da/d7e/a05558.html#afd1a23ce62e04d2e91ee01057ff947d1">BALL::PyColorRGBAVector::Iterator</a></td>139 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../d4/d36/a07462.html">VIEW::ColorRGBA</a>&gt;::iterator·<a·class="el"·href="../../da/d7e/a05558.html#afd1a23ce62e04d2e91ee01057ff947d1">BALL::PyColorRGBAVector::Iterator</a></td>
140 ········</tr>140 ········</tr>
141 ······</table>141 ······</table>
142 </div><div·class="memdoc">142 </div><div·class="memdoc">
143 <p·>Iterator·type.·</p>143 <p·>Iterator·type.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/df8/a00155_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d3/df8/a00155_source.html">pyColorRGBAVector.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d95/a00299_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../df/d95/a00299_source.html">pyColorRGBAVector.h</a>.</p>
  
145 </div>145 </div>
146 </div>146 </div>
147 <a·id="a0928f678ac4895c9ae168583e7b76c19"·name="a0928f678ac4895c9ae168583e7b76c19"></a>147 <a·id="a0928f678ac4895c9ae168583e7b76c19"·name="a0928f678ac4895c9ae168583e7b76c19"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#a0928f678ac4895c9ae168583e7b76c19">&#9670;&nbsp;</a></span>PointerType</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#a0928f678ac4895c9ae168583e7b76c19">&#9670;&nbsp;</a></span>PointerType</h2>
  
149 <div·class="memitem">149 <div·class="memitem">
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155 ········<tr>155 ········<tr>
156 ··········<td·class="memname">typedef·<a·class="el"·href="../../d4/d36/a07462.html">VIEW::ColorRGBA</a>*·<a·class="el"·href="../../da/d7e/a05558.html#a0928f678ac4895c9ae168583e7b76c19">BALL::PyColorRGBAVector::PointerType</a></td>156 ··········<td·class="memname">typedef·<a·class="el"·href="../../d4/d36/a07462.html">VIEW::ColorRGBA</a>*·<a·class="el"·href="../../da/d7e/a05558.html#a0928f678ac4895c9ae168583e7b76c19">BALL::PyColorRGBAVector::PointerType</a></td>
157 ········</tr>157 ········</tr>
158 ······</table>158 ······</table>
159 </div><div·class="memdoc">159 </div><div·class="memdoc">
160 <p·>Pointer·type·</p>160 <p·>Pointer·type·</p>
  
161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/df8/a00155_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d3/df8/a00155_source.html">pyColorRGBAVector.h</a>.</p>161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d95/a00299_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../df/d95/a00299_source.html">pyColorRGBAVector.h</a>.</p>
  
162 </div>162 </div>
163 </div>163 </div>
164 <a·id="a12b200b9a8b1841fe06a5ebf02ff7f12"·name="a12b200b9a8b1841fe06a5ebf02ff7f12"></a>164 <a·id="a12b200b9a8b1841fe06a5ebf02ff7f12"·name="a12b200b9a8b1841fe06a5ebf02ff7f12"></a>
165 <h2·class="memtitle"><span·class="permalink"><a·href="#a12b200b9a8b1841fe06a5ebf02ff7f12">&#9670;&nbsp;</a></span>ValueType</h2>165 <h2·class="memtitle"><span·class="permalink"><a·href="#a12b200b9a8b1841fe06a5ebf02ff7f12">&#9670;&nbsp;</a></span>ValueType</h2>
  
166 <div·class="memitem">166 <div·class="memitem">
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172 ········<tr>172 ········<tr>
173 ··········<td·class="memname">typedef·<a·class="el"·href="../../d4/d36/a07462.html">VIEW::ColorRGBA</a>·<a·class="el"·href="../../da/d7e/a05558.html#a12b200b9a8b1841fe06a5ebf02ff7f12">BALL::PyColorRGBAVector::ValueType</a></td>173 ··········<td·class="memname">typedef·<a·class="el"·href="../../d4/d36/a07462.html">VIEW::ColorRGBA</a>·<a·class="el"·href="../../da/d7e/a05558.html#a12b200b9a8b1841fe06a5ebf02ff7f12">BALL::PyColorRGBAVector::ValueType</a></td>
174 ········</tr>174 ········</tr>
175 ······</table>175 ······</table>
176 </div><div·class="memdoc">176 </div><div·class="memdoc">
177 <p·>ColorRGBA·type·</p>177 <p·>ColorRGBA·type·</p>
  
178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/df8/a00155_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d3/df8/a00155_source.html">pyColorRGBAVector.h</a>.</p>178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d95/a00299_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../df/d95/a00299_source.html">pyColorRGBAVector.h</a>.</p>
  
179 </div>179 </div>
180 </div>180 </div>
181 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>181 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
182 <a·id="aff237055309b4f22dc267eabe1023004"·name="aff237055309b4f22dc267eabe1023004"></a>182 <a·id="aff237055309b4f22dc267eabe1023004"·name="aff237055309b4f22dc267eabe1023004"></a>
183 <h2·class="memtitle"><span·class="permalink"><a·href="#aff237055309b4f22dc267eabe1023004">&#9670;&nbsp;</a></span>PyColorRGBAVector()·<span·class="overload">[1/3]</span></h2>183 <h2·class="memtitle"><span·class="permalink"><a·href="#aff237055309b4f22dc267eabe1023004">&#9670;&nbsp;</a></span>PyColorRGBAVector()·<span·class="overload">[1/3]</span></h2>
  
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../dc/dd8/a03755.html">List·of·all·members</a>··</div>71 <a·href="../../dc/dd8/a03755.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::QuaternionGene·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QuaternionGene·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d60/a00491_source.html">BALL/DOCKING/GENETICDOCK/genes.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d8/daf/a01550_source.html">BALL/DOCKING/GENETICDOCK/genes.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::QuaternionGene:</div>77 Inheritance·diagram·for·BALL::QuaternionGene:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../da/d85/a03758.png"·usemap="#BALL::QuaternionGene_map"·alt=""/>80 ··<img·src="../../da/d85/a03758.png"·usemap="#BALL::QuaternionGene_map"·alt=""/>
81 ··<map·id="BALL::QuaternionGene_map"·name="BALL::QuaternionGene_map">81 ··<map·id="BALL::QuaternionGene_map"·name="BALL::QuaternionGene_map">
82 <area·href="../../d2/d17/a03750.html"·alt="BALL::GenericGene"·shape="rect"·coords="0,0,142,24"/>82 <area·href="../../d2/d17/a03750.html"·alt="BALL::GenericGene"·shape="rect"·coords="0,0,142,24"/>
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121 <tr·class="separator:af848aae5e57d30904a96e9f30b011a17·inherit·pro_methods_a03750"><td·class="memSeparator"·colspan="2">&#160;</td></tr>121 <tr·class="separator:af848aae5e57d30904a96e9f30b011a17·inherit·pro_methods_a03750"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
122 <tr·class="memitem:aa17a5330120d334c94c07edf7a647d90·inherit·pro_methods_a03750"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d17/a03750.html#aa17a5330120d334c94c07edf7a647d90">randomGenePosition</a>·(int·from,·int·to)</td></tr>122 <tr·class="memitem:aa17a5330120d334c94c07edf7a647d90·inherit·pro_methods_a03750"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d17/a03750.html#aa17a5330120d334c94c07edf7a647d90">randomGenePosition</a>·(int·from,·int·to)</td></tr>
123 <tr·class="separator:aa17a5330120d334c94c07edf7a647d90·inherit·pro_methods_a03750"><td·class="memSeparator"·colspan="2">&#160;</td></tr>123 <tr·class="separator:aa17a5330120d334c94c07edf7a647d90·inherit·pro_methods_a03750"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
124 </table>124 </table>
125 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>125 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
126 <div·class="textblock"><p·>gene·with·one·quaternion·value·</p>126 <div·class="textblock"><p·>gene·with·one·quaternion·value·</p>
  
127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d60/a00491_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../d6/d60/a00491_source.html">genes.h</a>.</p>127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/daf/a01550_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../d8/daf/a01550_source.html">genes.h</a>.</p>
128 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>128 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
129 <a·id="a0680d822a01a036ed20cd0d06eb0a6c1"·name="a0680d822a01a036ed20cd0d06eb0a6c1"></a>129 <a·id="a0680d822a01a036ed20cd0d06eb0a6c1"·name="a0680d822a01a036ed20cd0d06eb0a6c1"></a>
130 <h2·class="memtitle"><span·class="permalink"><a·href="#a0680d822a01a036ed20cd0d06eb0a6c1">&#9670;&nbsp;</a></span>QuaternionGene()</h2>130 <h2·class="memtitle"><span·class="permalink"><a·href="#a0680d822a01a036ed20cd0d06eb0a6c1">&#9670;&nbsp;</a></span>QuaternionGene()</h2>
  
131 <div·class="memitem">131 <div·class="memitem">
132 <div·class="memproto">132 <div·class="memproto">
133 ······<table·class="memname">133 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../d2/d77/a04939.html">List·of·all·members</a>··</div>71 <a·href="../../d2/d77/a04939.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::AmberNonBonded·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d86/a02170.html">AMBER·Force·Field.</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::AmberNonBonded·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d86/a02170.html">AMBER·Force·Field.</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/MOLMEC/AMBER/amberNonBonded.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dc/d87/a00032_source.html">BALL/MOLMEC/AMBER/amberNonBonded.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::AmberNonBonded:</div>77 Inheritance·diagram·for·BALL::AmberNonBonded:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../da/d88/a04942.png"·usemap="#BALL::AmberNonBonded_map"·alt=""/>80 ··<img·src="../../da/d88/a04942.png"·usemap="#BALL::AmberNonBonded_map"·alt=""/>
81 ··<map·id="BALL::AmberNonBonded_map"·name="BALL::AmberNonBonded_map">81 ··<map·id="BALL::AmberNonBonded_map"·name="BALL::AmberNonBonded_map">
82 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>82 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>
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255 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>255 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
256 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>256 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
257 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>257 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
258 </table>258 </table>
259 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>259 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
260 <div·class="textblock"><p·>Amber·NonBonded·(VdW·+·<a·class="el"·href="../../d1/d66/a06266.html">Electrostatic</a>)·component·</p>260 <div·class="textblock"><p·>Amber·NonBonded·(VdW·+·<a·class="el"·href="../../d1/d66/a06266.html">Electrostatic</a>)·component·</p>
  
261 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/de9/a00923_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../df/de9/a00923_source.html">amberNonBonded.h</a>.</p>261 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a00032_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../dc/d87/a00032_source.html">amberNonBonded.h</a>.</p>
262 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>262 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
263 <a·id="a83f85cecffb8cce7c9922839c79c6e7f"·name="a83f85cecffb8cce7c9922839c79c6e7f"></a>263 <a·id="a83f85cecffb8cce7c9922839c79c6e7f"·name="a83f85cecffb8cce7c9922839c79c6e7f"></a>
264 <h2·class="memtitle"><span·class="permalink"><a·href="#a83f85cecffb8cce7c9922839c79c6e7f">&#9670;&nbsp;</a></span>AmberNonBonded()·<span·class="overload">[1/3]</span></h2>264 <h2·class="memtitle"><span·class="permalink"><a·href="#a83f85cecffb8cce7c9922839c79c6e7f">&#9670;&nbsp;</a></span>AmberNonBonded()·<span·class="overload">[1/3]</span></h2>
  
265 <div·class="memitem">265 <div·class="memitem">
266 <div·class="memproto">266 <div·class="memproto">
267 ······<table·class="memname">267 ······<table·class="memname">
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769 ··</td>769 ··</td>
770 ··<td·class="mlabels-right">770 ··<td·class="mlabels-right">
771 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>771 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
772 ··</tr>772 ··</tr>
773 </table>773 </table>
774 </div><div·class="memdoc">774 </div><div·class="memdoc">
  
775 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/de9/a00923_source.html#l00186">186</a>·of·file·<a·class="el"·href="../../df/de9/a00923_source.html">amberNonBonded.h</a>.</p>775 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a00032_source.html#l00186">186</a>·of·file·<a·class="el"·href="../../dc/d87/a00032_source.html">amberNonBonded.h</a>.</p>
  
776 </div>776 </div>
777 </div>777 </div>
778 <a·id="a5034bf12215c67399a7073315c2960b3"·name="a5034bf12215c67399a7073315c2960b3"></a>778 <a·id="a5034bf12215c67399a7073315c2960b3"·name="a5034bf12215c67399a7073315c2960b3"></a>
779 <h2·class="memtitle"><span·class="permalink"><a·href="#a5034bf12215c67399a7073315c2960b3">&#9670;&nbsp;</a></span>ELECTROSTATIC_FACTOR</h2>779 <h2·class="memtitle"><span·class="permalink"><a·href="#a5034bf12215c67399a7073315c2960b3">&#9670;&nbsp;</a></span>ELECTROSTATIC_FACTOR</h2>
  
780 <div·class="memitem">780 <div·class="memitem">
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793 ··</td>793 ··</td>
794 ··<td·class="mlabels-right">794 ··<td·class="mlabels-right">
795 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>795 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
796 ··</tr>796 ··</tr>
797 </table>797 </table>
798 </div><div·class="memdoc">798 </div><div·class="memdoc">
  
799 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/de9/a00923_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../df/de9/a00923_source.html">amberNonBonded.h</a>.</p>799 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a00032_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../dc/d87/a00032_source.html">amberNonBonded.h</a>.</p>
  
800 </div>800 </div>
801 </div>801 </div>
802 <a·id="aa59de421b11773253295610dd16e7d1a"·name="aa59de421b11773253295610dd16e7d1a"></a>802 <a·id="aa59de421b11773253295610dd16e7d1a"·name="aa59de421b11773253295610dd16e7d1a"></a>
803 <h2·class="memtitle"><span·class="permalink"><a·href="#aa59de421b11773253295610dd16e7d1a">&#9670;&nbsp;</a></span>vdw_energy_</h2>803 <h2·class="memtitle"><span·class="permalink"><a·href="#aa59de421b11773253295610dd16e7d1a">&#9670;&nbsp;</a></span>vdw_energy_</h2>
  
804 <div·class="memitem">804 <div·class="memitem">
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817 ··</td>817 ··</td>
818 ··<td·class="mlabels-right">818 ··<td·class="mlabels-right">
819 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>819 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
820 ··</tr>820 ··</tr>
821 </table>821 </table>
822 </div><div·class="memdoc">822 </div><div·class="memdoc">
  
823 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/de9/a00923_source.html#l00190">190</a>·of·file·<a·class="el"·href="../../df/de9/a00923_source.html">amberNonBonded.h</a>.</p>823 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a00032_source.html#l00190">190</a>·of·file·<a·class="el"·href="../../dc/d87/a00032_source.html">amberNonBonded.h</a>.</p>
  
824 </div>824 </div>
825 </div>825 </div>
826 </div><!--·contents·-->826 </div><!--·contents·-->
827 <!--·start·footer·part·-->827 <!--·start·footer·part·-->
828 <hr·class="footer"/><address·class="footer"><small>828 <hr·class="footer"/><address·class="footer"><small>
829 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4829 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../db/d2c/a06363.html">List·of·all·members</a>··</div>71 <a·href="../../db/d2c/a06363.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VanDerWaals·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VanDerWaals·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/dd9/a00179_source.html">BALL/SCORING/COMPONENTS/vanDerWaals.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d9b/a02039_source.html">BALL/SCORING/COMPONENTS/vanDerWaals.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VanDerWaals:</div>77 Inheritance·diagram·for·BALL::VanDerWaals:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../da/d89/a06366.png"·usemap="#BALL::VanDerWaals_map"·alt=""/>80 ··<img·src="../../da/d89/a06366.png"·usemap="#BALL::VanDerWaals_map"·alt=""/>
81 ··<map·id="BALL::VanDerWaals_map"·name="BALL::VanDerWaals_map">81 ··<map·id="BALL::VanDerWaals_map"·name="BALL::VanDerWaals_map">
82 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>82 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
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183 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>183 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>
184 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>184 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
185 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>185 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
186 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>186 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
187 </table>187 </table>
188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
189 <div·class="textblock">189 <div·class="textblock">
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dd9/a00179_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../db/dd9/a00179_source.html">vanDerWaals.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a02039_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d4/d9b/a02039_source.html">vanDerWaals.h</a>.</p>
191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
192 <a·id="a036ad6a47df1c489eecdba88ccac3553"·name="a036ad6a47df1c489eecdba88ccac3553"></a>192 <a·id="a036ad6a47df1c489eecdba88ccac3553"·name="a036ad6a47df1c489eecdba88ccac3553"></a>
193 <h2·class="memtitle"><span·class="permalink"><a·href="#a036ad6a47df1c489eecdba88ccac3553">&#9670;&nbsp;</a></span>VanDerWaals()·<span·class="overload">[1/2]</span></h2>193 <h2·class="memtitle"><span·class="permalink"><a·href="#a036ad6a47df1c489eecdba88ccac3553">&#9670;&nbsp;</a></span>VanDerWaals()·<span·class="overload">[1/2]</span></h2>
  
194 <div·class="memitem">194 <div·class="memitem">
195 <div·class="memproto">195 <div·class="memproto">
196 ······<table·class="memname">196 ······<table·class="memname">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="../../d7/dae/a08567.html">List·of·all·members</a>··</div>72 <a·href="../../d7/dae/a08567.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TextEditorWidget::LineNumbers·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TextEditorWidget::LineNumbers·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d51/a01520_source.html">BALL/VIEW/WIDGETS/textEditorWidget.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dd/d09/a01118_source.html">BALL/VIEW/WIDGETS/textEditorWidget.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::TextEditorWidget::LineNumbers:</div>78 Inheritance·diagram·for·BALL::VIEW::TextEditorWidget::LineNumbers:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../da/d8a/a08570.png"·usemap="#BALL::VIEW::TextEditorWidget::LineNumbers_map"·alt=""/>81 ··<img·src="../../da/d8a/a08570.png"·usemap="#BALL::VIEW::TextEditorWidget::LineNumbers_map"·alt=""/>
82 ··<map·id="BALL::VIEW::TextEditorWidget::LineNumbers_map"·name="BALL::VIEW::TextEditorWidget::LineNumbers_map">82 ··<map·id="BALL::VIEW::TextEditorWidget::LineNumbers_map"·name="BALL::VIEW::TextEditorWidget::LineNumbers_map">
83 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,260,24"/>83 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,260,24"/>
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95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pro-methods"·name="pro-methods"></a>95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pro-methods"·name="pro-methods"></a>
96 Protected·Member·Functions</h2></td></tr>96 Protected·Member·Functions</h2></td></tr>
97 <tr·class="memitem:a224092ced4e2e1ea2cf058411d3a3b47"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d8a/a08570.html#a224092ced4e2e1ea2cf058411d3a3b47">paintEvent</a>·(QPaintEvent·*event)</td></tr>97 <tr·class="memitem:a224092ced4e2e1ea2cf058411d3a3b47"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d8a/a08570.html#a224092ced4e2e1ea2cf058411d3a3b47">paintEvent</a>·(QPaintEvent·*event)</td></tr>
98 <tr·class="separator:a224092ced4e2e1ea2cf058411d3a3b47"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:a224092ced4e2e1ea2cf058411d3a3b47"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>99 </table>
100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
101 <div·class="textblock">101 <div·class="textblock">
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d51/a01520_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d4/d51/a01520_source.html">textEditorWidget.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">textEditorWidget.h</a>.</p>
103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
104 <a·id="a81835c2b485f70e34cf517c12b245fd8"·name="a81835c2b485f70e34cf517c12b245fd8"></a>104 <a·id="a81835c2b485f70e34cf517c12b245fd8"·name="a81835c2b485f70e34cf517c12b245fd8"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#a81835c2b485f70e34cf517c12b245fd8">&#9670;&nbsp;</a></span>LineNumbers()</h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#a81835c2b485f70e34cf517c12b245fd8">&#9670;&nbsp;</a></span>LineNumbers()</h2>
  
106 <div·class="memitem">106 <div·class="memitem">
107 <div·class="memproto">107 <div·class="memproto">
108 ······<table·class="memname">108 ······<table·class="memname">
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3 <head>3 <head>
4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>
5 <meta·http-equiv="X-UA-Compatible"·content="IE=11"/>5 <meta·http-equiv="X-UA-Compatible"·content="IE=11"/>
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7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·circle3.h·File·Reference</title>8 <title>BALL:·RSFace.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
59 ········name="MSearchResults"·id="MSearchResults">59 ········name="MSearchResults"·id="MSearchResults">
60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">circle3.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">RSFace.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d66/a01721_source.html">BALL/STRUCTURE/graphFace.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
76 </div>76 </div>
77 <p><a·href="../../da/d8b/a01871_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../da/d8b/a01871_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>80 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dec/a04786.html">BALL::TCircle3&lt;·T·&gt;</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d43/a07122.html">BALL::RSFace</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table><table·class="memberdecls">83 </table><table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
85 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table><table·class="memberdecls">88 </table><table·class="memberdecls">
 89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 90 Functions</h2></td></tr>
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Storers</h2></td></tr>91 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>
90 <tr·class="memitem:ga5064f4ce78d2598c86fa41e000f528bc"><td·class="memItemLeft"·align="right"·valign="top">typedef·TCircle3&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a0215[·...·truncated·by·diffoscope;·len:·60,·SHA:·9b127c314555a3cdd0cbe613fe9efa9653b3bc78de180a8fb39f326551f4e80b·...·]</td></tr>92 <tr·class="memitem:gaed695096cd98f223e7d3f57026097887"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·cl[·...·truncated·by·diffoscope;·len:·150,·SHA:·1f462cbfb4e9f00bb9667251144077d4b2e53e9fc32fbbdae34eb1e94443c422·...·]</td></tr>
91 <tr·class="separator:ga5064f4ce78d2598c86fa41e000f528bc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:gaed695096cd98f223e7d3f57026097887"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:gae118e927880e9b77d6db7f90481c4b78"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
93 <tr·class="memitem:gae118e927880e9b77d6db7f90481c4b78"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gae118e927880e9b77d6db7f90481c4b78">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·TCircle3&lt;·T·&gt;·&amp;circle)</td></tr> 
94 <tr·class="separator:gae118e927880e9b77d6db7f90481c4b78"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 <tr·class="memitem:ga8a53e5e9e51c1b15f3d5ee0a14a95077"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
96 <tr·class="memitem:ga8a53e5e9e51c1b15f3d5ee0a14a95077"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga8a53e5e9e51c1b15f3d5ee0a14a95077">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·TCircle3&lt;·T·&gt;·&amp;circle)</td></tr> 
97 <tr·class="separator:ga8a53e5e9e51c1b15f3d5ee0a14a95077"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 </table>94 </table>
99 </div><!--·contents·-->95 </div><!--·contents·-->
100 <!--·start·footer·part·-->96 <!--·start·footer·part·-->
101 <hr·class="footer"/><address·class="footer"><small>97 <hr·class="footer"/><address·class="footer"><small>
102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.498 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../dc/d9b/a03155.html">List·of·all·members</a>··</div>71 <a·href="../../dc/d9b/a03155.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Exception::CUDAError·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::CUDAError·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Exception::CUDAError:</div>77 Inheritance·diagram·for·BALL::Exception::CUDAError:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../da/d8d/a03158.png"·usemap="#BALL::Exception::CUDAError_map"·alt=""/>80 ··<img·src="../../da/d8d/a03158.png"·usemap="#BALL::Exception::CUDAError_map"·alt=""/>
81 ··<map·id="BALL::Exception::CUDAError_map"·name="BALL::Exception::CUDAError_map">81 ··<map·id="BALL::Exception::CUDAError_map"·name="BALL::Exception::CUDAError_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>CUDA·Error·CUDA·or·any·of·its·calls·caused·an·error·</p>136 <div·class="textblock"><p·>CUDA·Error·CUDA·or·any·of·its·calls·caused·an·error·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00447">447</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00447">447</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="a97e91c3d3c2c3c39b3544c8853c860eb"·name="a97e91c3d3c2c3c39b3544c8853c860eb"></a>139 <a·id="a97e91c3d3c2c3c39b3544c8853c860eb"·name="a97e91c3d3c2c3c39b3544c8853c860eb"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a97e91c3d3c2c3c39b3544c8853c860eb">&#9670;&nbsp;</a></span>CUDAError()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a97e91c3d3c2c3c39b3544c8853c860eb">&#9670;&nbsp;</a></span>CUDAError()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
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143 ······<table·class="memname">143 ······<table·class="memname">
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../dc/d86/a07971.html">List·of·all·members</a>··</div>70 <a·href="../../dc/d86/a07971.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Stage::RaytracingMaterial·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Stage::RaytracingMaterial·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d6/dea/a01094_source.html">BALL/VIEW/KERNEL/stage.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d2/d41/a01037_source.html">BALL/VIEW/KERNEL/stage.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::Stage::RaytracingMaterial:</div>76 Inheritance·diagram·for·BALL::VIEW::Stage::RaytracingMaterial:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../da/d90/a07974.png"·usemap="#BALL::VIEW::Stage::RaytracingMaterial_map"·alt=""/>79 ··<img·src="../../da/d90/a07974.png"·usemap="#BALL::VIEW::Stage::RaytracingMaterial_map"·alt=""/>
80 ··<map·id="BALL::VIEW::Stage::RaytracingMaterial_map"·name="BALL::VIEW::Stage::RaytracingMaterial_map">80 ··<map·id="BALL::VIEW::Stage::RaytracingMaterial_map"·name="BALL::VIEW::Stage::RaytracingMaterial_map">
81 <area·href="../../d9/d71/a07970.html"·alt="BALL::VIEW::Stage::Material"·shape="rect"·coords="0,168,231,192"/>81 <area·href="../../d9/d71/a07970.html"·alt="BALL::VIEW::Stage::Material"·shape="rect"·coords="0,168,231,192"/>
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183 <tr·class="memitem:a8270b7deb227a22296f0b2f6b3e3ee5e·inherit·pro_methods_a03206"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html#a8270b7deb227a22296f0b2f6b3e3ee5e">AutoDeletable</a>·()</td></tr>183 <tr·class="memitem:a8270b7deb227a22296f0b2f6b3e3ee5e·inherit·pro_methods_a03206"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html#a8270b7deb227a22296f0b2f6b3e3ee5e">AutoDeletable</a>·()</td></tr>
184 <tr·class="separator:a8270b7deb227a22296f0b2f6b3e3ee5e·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>184 <tr·class="separator:a8270b7deb227a22296f0b2f6b3e3ee5e·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
185 <tr·class="memitem:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html#a345d52e6c41aed91ec149e74a63e22bc">AutoDeletable</a>·(const·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·&amp;auto_deletable,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·deep=false)</td></tr>185 <tr·class="memitem:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html#a345d52e6c41aed91ec149e74a63e22bc">AutoDeletable</a>·(const·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·&amp;auto_deletable,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·deep=false)</td></tr>
186 <tr·class="separator:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>186 <tr·class="separator:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
187 </table>187 </table>
188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
189 <div·class="textblock">189 <div·class="textblock">
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dea/a01094_source.html#l00285">285</a>·of·file·<a·class="el"·href="../../d6/dea/a01094_source.html">stage.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d41/a01037_source.html#l00285">285</a>·of·file·<a·class="el"·href="../../d2/d41/a01037_source.html">stage.h</a>.</p>
191 </div></div><!--·contents·-->191 </div></div><!--·contents·-->
192 <!--·start·footer·part·-->192 <!--·start·footer·part·-->
193 <hr·class="footer"/><address·class="footer"><small>193 <hr·class="footer"/><address·class="footer"><small>
194 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4194 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
195 </small></address>195 </small></address>
196 </body>196 </body>
197 </html>197 </html>
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8 <title>BALL:·RSFace.h·File·Reference</title>8 <title>BALL:·autoDeletable.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">RSFace.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">autoDeletable.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;BALL/CONFIG/config.h&gt;</code><br·/>
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d3b/a00728_source.html">BALL/STRUCTURE/graphFace.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../dc/d4d/a00620_source.html">BALL/COMMON/debug.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;cstdlib&gt;</code><br·/>
 78 <code>#include·&lt;new&gt;</code><br·/>
 79 <code>#include·&lt;iostream&gt;</code><br·/>
 80 <code>#include·&lt;BALL/CONCEPT/autoDeletable.iC&gt;</code><br·/>
76 </div>81 </div>
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87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table><table·class="memberdecls"> 
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
90 Functions</h2></td></tr> 
91 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr> 
92 <tr·class="memitem:gaed695096cd98f223e7d3f57026097887"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gaed695096cd98f223e7d3f57026097887">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·RSFace·&amp;rsface)</td></tr> 
93 <tr·class="separator:gaed695096cd98f223e7d3f57026097887"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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97 <hr·class="footer"/><address·class="footer"><small>96 <hr·class="footer"/><address·class="footer"><small>
98 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.497 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 <a·href="../../da/dd1/a08287.html">List·of·all·members</a>··</div>71 <a·href="../../da/dd1/a08287.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·RTpieCpp::MeshHandle·&gt;::conv·Union·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·RTpieCpp::MeshHandle·&gt;::conv·Union·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d27/a01163_source.html">BALL/VIEW/RENDERING/RENDERERS/rtfactRenderer.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/d8b/a01469_source.html">BALL/VIEW/RENDERING/RENDERERS/rtfactRenderer.h</a>&gt;</code></p>
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77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
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85 <div·class="textblock">85 <div·class="textblock">
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d27/a01163_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d6/d27/a01163_source.html">rtfactRenderer.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d8b/a01469_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d9/d8b/a01469_source.html">rtfactRenderer.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
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89 <h2·class="memtitle"><span·class="permalink"><a·href="#adc2b2f686c63bdcaab5db52c231afe79">&#9670;&nbsp;</a></span>p</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#adc2b2f686c63bdcaab5db52c231afe79">&#9670;&nbsp;</a></span>p</h2>
  
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122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
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71 <a·href="../../dc/d65/a05195.html">List·of·all·members</a>··</div>71 <a·href="../../dc/d65/a05195.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ShiftedLVMMMinimizer::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ShiftedLVMMMinimizer::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d82/a00857_source.html">BALL/MOLMEC/MINIMIZATION/shiftedLVMM.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dd0/a00191_source.html">BALL/MOLMEC/MINIMIZATION/shiftedLVMM.h</a>&gt;</code></p>
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80 <tr·class="separator:ae10defb8702ae55e26e641722dd8539c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:ae10defb8702ae55e26e641722dd8539c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a368231238b16fa9762330eb85d038f98"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dac/a05198.html#a368231238b16fa9762330eb85d038f98">CORRECTION_PARAMETER</a></td></tr>81 <tr·class="memitem:a368231238b16fa9762330eb85d038f98"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dac/a05198.html#a368231238b16fa9762330eb85d038f98">CORRECTION_PARAMETER</a></td></tr>
82 <tr·class="separator:a368231238b16fa9762330eb85d038f98"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a368231238b16fa9762330eb85d038f98"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:ae720ad602d148fb3e9c0d171efa04d56"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dac/a05198.html#ae720ad602d148fb3e9c0d171efa04d56">NUM_OF_COLUMNS</a></td></tr>83 <tr·class="memitem:ae720ad602d148fb3e9c0d171efa04d56"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dac/a05198.html#ae720ad602d148fb3e9c0d171efa04d56">NUM_OF_COLUMNS</a></td></tr>
84 <tr·class="separator:ae720ad602d148fb3e9c0d171efa04d56"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:ae720ad602d148fb3e9c0d171efa04d56"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock"><p·>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../d8/d35/a05178.html#a96b309d96054f91c2ee6b631ae9dacb7">ShiftedLVMMMinimizer::options</a>.·</p><dl·class="section·user"><dt></dt><dd>For·each·symbol·the·required·type·is·given·under·parameters.·</dd></dl>87 <div·class="textblock"><p·>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../d8/d35/a05178.html#a96b309d96054f91c2ee6b631ae9dacb7">ShiftedLVMMMinimizer::options</a>.·</p><dl·class="section·user"><dt></dt><dd>For·each·symbol·the·required·type·is·given·under·parameters.·</dd></dl>
  
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d82/a00857_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d0/d82/a00857_source.html">shiftedLVMM.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd0/a00191_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d9/dd0/a00191_source.html">shiftedLVMM.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="a368231238b16fa9762330eb85d038f98"·name="a368231238b16fa9762330eb85d038f98"></a>90 <a·id="a368231238b16fa9762330eb85d038f98"·name="a368231238b16fa9762330eb85d038f98"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#a368231238b16fa9762330eb85d038f98">&#9670;&nbsp;</a></span>CORRECTION_PARAMETER</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#a368231238b16fa9762330eb85d038f98">&#9670;&nbsp;</a></span>CORRECTION_PARAMETER</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
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106 ··<td·class="mlabels-right">106 ··<td·class="mlabels-right">
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108 ··</tr>108 ··</tr>
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110 </div><div·class="memdoc">110 </div><div·class="memdoc">
111 <p·>Which·correction·parameter·should·be·used?·</p>111 <p·>Which·correction·parameter·should·be·used?·</p>
  
112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d82/a00857_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../d0/d82/a00857_source.html">shiftedLVMM.h</a>.</p>112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd0/a00191_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../d9/dd0/a00191_source.html">shiftedLVMM.h</a>.</p>
  
113 </div>113 </div>
114 </div>114 </div>
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116 <h2·class="memtitle"><span·class="permalink"><a·href="#ae720ad602d148fb3e9c0d171efa04d56">&#9670;&nbsp;</a></span>NUM_OF_COLUMNS</h2>116 <h2·class="memtitle"><span·class="permalink"><a·href="#ae720ad602d148fb3e9c0d171efa04d56">&#9670;&nbsp;</a></span>NUM_OF_COLUMNS</h2>
  
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132 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>132 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
133 ··</tr>133 ··</tr>
134 </table>134 </table>
135 </div><div·class="memdoc">135 </div><div·class="memdoc">
136 <p·>The·number·of·columns·of·the·factor·of·the·shifted·inverse·hessian·approximation.·</p>136 <p·>The·number·of·columns·of·the·factor·of·the·shifted·inverse·hessian·approximation.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d82/a00857_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d0/d82/a00857_source.html">shiftedLVMM.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd0/a00191_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d9/dd0/a00191_source.html">shiftedLVMM.h</a>.</p>
  
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141 <h2·class="memtitle"><span·class="permalink"><a·href="#ae10defb8702ae55e26e641722dd8539c">&#9670;&nbsp;</a></span>UPDATE_METHOD</h2>141 <h2·class="memtitle"><span·class="permalink"><a·href="#ae10defb8702ae55e26e641722dd8539c">&#9670;&nbsp;</a></span>UPDATE_METHOD</h2>
  
142 <div·class="memitem">142 <div·class="memitem">
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156 ··<td·class="mlabels-right">156 ··<td·class="mlabels-right">
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158 ··</tr>158 ··</tr>
159 </table>159 </table>
160 </div><div·class="memdoc">160 </div><div·class="memdoc">
161 <p·>Which·update·method·should·be·used?·</p>161 <p·>Which·update·method·should·be·used?·</p>
  
162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d82/a00857_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d0/d82/a00857_source.html">shiftedLVMM.h</a>.</p>162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd0/a00191_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d9/dd0/a00191_source.html">shiftedLVMM.h</a>.</p>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">gridColorWidget.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">flexibleMolecule.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;BALL/VIEW/UIC/ui_gridColorWidget.h&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d1e/a00497_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../de/d34/a20344_source.html">BALL/KERNEL/forEach.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../de/d1a/a01559_source.html">BALL/DOCKING/COMMON/conformation.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;iostream&gt;</code><br·/>
75 </div>81 </div>
76 <p><a·href="../../da/daf/a01568_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../da/daf/a01568_source.html">Go·to·the·source·code·of·this·file.</a></p>
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 96 <tr·class="memitem:ab1c8a3cac59d926f4f67100682962b5c"><td·class="memItemLeft"·align="right"·valign="top">typedef·FlexibleMolecule&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ab1c8a3cac59d926f4f67100682962b5c">BALL::Ligand</a></td></tr>
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72 ··<div·class="headertitle"><div·class="title">BALL::SideChainOptimizer·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SideChainOptimizer·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dc/d19/a00515_source.html">BALL/DOCKING/COMMON/sideChainOptimizer.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d3/daa/a01577_source.html">BALL/DOCKING/COMMON/sideChainOptimizer.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
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79 <tr·class="memitem:a97427bb5d132c0eb997c57ef5cf5c5e5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/daf/a03718.html#a97427bb5d132c0eb997c57ef5cf5c5e5">SideChainOptimizer</a>·(<a·class="el"·href="../../d0/d64/a06166.html">ScoringFunction</a>·*sf)</td></tr>79 <tr·class="memitem:a97427bb5d132c0eb997c57ef5cf5c5e5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/daf/a03718.html#a97427bb5d132c0eb997c57ef5cf5c5e5">SideChainOptimizer</a>·(<a·class="el"·href="../../d0/d64/a06166.html">ScoringFunction</a>·*sf)</td></tr>
80 <tr·class="separator:a97427bb5d132c0eb997c57ef5cf5c5e5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a97427bb5d132c0eb997c57ef5cf5c5e5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:acc98fc99a4694c22e7474ce35f00d3f8"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/daf/a03718.html#acc98fc99a4694c22e7474ce35f00d3f8">~SideChainOptimizer</a>·()</td></tr>81 <tr·class="memitem:acc98fc99a4694c22e7474ce35f00d3f8"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/daf/a03718.html#acc98fc99a4694c22e7474ce35f00d3f8">~SideChainOptimizer</a>·()</td></tr>
82 <tr·class="separator:acc98fc99a4694c22e7474ce35f00d3f8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:acc98fc99a4694c22e7474ce35f00d3f8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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86 <tr·class="memitem:a5c207a782218d666f9493f2987e5637b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/daf/a03718.html#a5c207a782218d666f9493f2987e5637b">optimize</a>·()</td></tr>86 <tr·class="memitem:a5c207a782218d666f9493f2987e5637b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/daf/a03718.html#a5c207a782218d666f9493f2987e5637b">optimize</a>·()</td></tr>
87 <tr·class="separator:a5c207a782218d666f9493f2987e5637b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a5c207a782218d666f9493f2987e5637b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a03169844cd5a03ea9b13e69cbf1a6d5f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/daf/a03718.html#a03169844cd5a03ea9b13e69cbf1a6d5f">findFlexibleSideChains</a>·(std::set&lt;·<a·class="el"·href="../../d3/d84/a04622.html">Residue</a>·*·&gt;·&amp;<a·class="el"·href="../../da/da2/a02217.html#ab7ead65ca6a9cfc6e1248b3b5133a1af">residues</a>,·const·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;dist_cutoff,·const·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;min_B_factor)</td></tr>88 <tr·class="memitem:a03169844cd5a03ea9b13e69cbf1a6d5f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/daf/a03718.html#a03169844cd5a03ea9b13e69cbf1a6d5f">findFlexibleSideChains</a>·(std::set&lt;·<a·class="el"·href="../../d3/d84/a04622.html">Residue</a>·*·&gt;·&amp;<a·class="el"·href="../../da/da2/a02217.html#ab7ead65ca6a9cfc6e1248b3b5133a1af">residues</a>,·const·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;dist_cutoff,·const·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;min_B_factor)</td></tr>
89 <tr·class="separator:a03169844cd5a03ea9b13e69cbf1a6d5f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a03169844cd5a03ea9b13e69cbf1a6d5f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock">92 <div·class="textblock">
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d19/a00515_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../dc/d19/a00515_source.html">sideChainOptimizer.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/daa/a01577_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d3/daa/a01577_source.html">sideChainOptimizer.h</a>.</p>
94 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>94 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
95 <a·id="a97427bb5d132c0eb997c57ef5cf5c5e5"·name="a97427bb5d132c0eb997c57ef5cf5c5e5"></a>95 <a·id="a97427bb5d132c0eb997c57ef5cf5c5e5"·name="a97427bb5d132c0eb997c57ef5cf5c5e5"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a97427bb5d132c0eb997c57ef5cf5c5e5">&#9670;&nbsp;</a></span>SideChainOptimizer()</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a97427bb5d132c0eb997c57ef5cf5c5e5">&#9670;&nbsp;</a></span>SideChainOptimizer()</h2>
  
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99 ······<table·class="memname">99 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../d2/dc7/a04303.html">List·of·all·members</a>··</div>71 <a·href="../../d2/dc7/a04303.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordSCALE2·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordSCALE2·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">templates.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">property.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d00/a00113_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d4/deb/a00710_source.html">BALL/DATATYPE/bitVector.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d5/d12/a00794_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;iostream&gt;</code><br·/>
 78 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/>
 79 <code>#include·&lt;boost/any.hpp&gt;</code><br·/>
76 <code>#include·&lt;BALL/DATATYPE/hashset.h&gt;</code><br·/>80 <code>#include·&lt;BALL/CONCEPT/property.iC&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/> 
78 </div>81 </div>
79 <p><a·href="../../da/db8/a00797_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../da/db8/a00797_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">83 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>85 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/db8/a05450.html">BALL::Templates</a></td></tr>86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d18/a03350.html">BALL::NamedProperty</a></td></tr>
 87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d67/a03354.html">BALL::PropertyManager</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
87 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 </table><table·class="memberdecls">
 96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
 97 Typedefs</h2></td></tr>
 98 <tr><td·colspan="2"><div·class="groupHeader">Properties</div></td></tr>
 99 <tr·class="memitem:ae4843e14866ef5d7f02ab0aae29a592e"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::vector&lt;·NamedProperty·&gt;::iterator&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ae4843e14866ef5d7f02ab0aae29a592e">BALL::NamedPropertyIterator</a></td></tr>
 100 <tr·class="separator:ae4843e14866ef5d7f02ab0aae29a592e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>101 </table>
91 </div><!--·contents·-->102 </div><!--·contents·-->
92 <!--·start·footer·part·-->103 <!--·start·footer·part·-->
93 <hr·class="footer"/><address·class="footer"><small>104 <hr·class="footer"/><address·class="footer"><small>
94 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
95 </small></address>106 </small></address>
96 </body>107 </body>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../d0/d73/a07939.html">List·of·all·members</a>··</div>71 <a·href="../../d0/d73/a07939.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ServerWidget·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../df/d4a/a02204.html">Kernel</a>·&raquo;·<a·class="el"·href="../../dc/d43/a02205.html">Client/Server·request·handling</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ServerWidget·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../df/d4a/a02204.html">Kernel</a>·&raquo;·<a·class="el"·href="../../dc/d43/a02205.html">Client/Server·request·handling</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d8/dbf/a01109_source.html">BALL/VIEW/KERNEL/serverWidget.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d2/d71/a01055_source.html">BALL/VIEW/KERNEL/serverWidget.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::ServerWidget:</div>77 Inheritance·diagram·for·BALL::VIEW::ServerWidget:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../da/dbd/a07942.png"·usemap="#BALL::VIEW::ServerWidget_map"·alt=""/>80 ··<img·src="../../da/dbd/a07942.png"·usemap="#BALL::VIEW::ServerWidget_map"·alt=""/>
81 ··<map·id="BALL::VIEW::ServerWidget_map"·name="BALL::VIEW::ServerWidget_map">81 ··<map·id="BALL::VIEW::ServerWidget_map"·name="BALL::VIEW::ServerWidget_map">
82 <area·href="../../dc/d45/a20003.html"·alt="QObject"·shape="rect"·coords="0,56,187,80"/>82 <area·href="../../dc/d45/a20003.html"·alt="QObject"·shape="rect"·coords="0,56,187,80"/>
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266 <tr·class="separator:a97ee3765672911ceedd08fbc4ced37ab·inherit·pro_attribs_a07922"><td·class="memSeparator"·colspan="2">&#160;</td></tr>266 <tr·class="separator:a97ee3765672911ceedd08fbc4ced37ab·inherit·pro_attribs_a07922"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
267 <tr·class="memitem:a52952722d0450408e058bdd3234adeb3·inherit·pro_attribs_a07922"><td·class="memItemLeft"·align="right"·valign="top">QList&lt;·QAction·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d8a/a07922.html#a52952722d0450408e058bdd3234adeb3">main_toolbar_actions_</a></td></tr>267 <tr·class="memitem:a52952722d0450408e058bdd3234adeb3·inherit·pro_attribs_a07922"><td·class="memItemLeft"·align="right"·valign="top">QList&lt;·QAction·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d8a/a07922.html#a52952722d0450408e058bdd3234adeb3">main_toolbar_actions_</a></td></tr>
268 <tr·class="separator:a52952722d0450408e058bdd3234adeb3·inherit·pro_attribs_a07922"><td·class="memSeparator"·colspan="2">&#160;</td></tr>268 <tr·class="separator:a52952722d0450408e058bdd3234adeb3·inherit·pro_attribs_a07922"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
269 </table>269 </table>
270 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>270 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
271 <div·class="textblock"><p·><a·class="el"·href="../../da/dbd/a07942.html">ServerWidget</a>·class.·The·class·<a·class="el"·href="../../da/dbd/a07942.html">ServerWidget</a>·handles·all·incoming·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·objects,·converts·them·into·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects·(if·possible)·and·sents·them·through·the·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·tree·with·the·message·NewCompositeMessage.·Also·it·stores·all·received·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects·and·replaces·them·if·the·same·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object·is·received·again.·If·a·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object·is·replaced·the·message·RemovedCompositeMessage·will·be·sent·through·the·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·tree·and·after·that·the·the·message·NewCompositeMessage·with·the·new·received·composite·will·be·sent.·</p>271 <div·class="textblock"><p·><a·class="el"·href="../../da/dbd/a07942.html">ServerWidget</a>·class.·The·class·<a·class="el"·href="../../da/dbd/a07942.html">ServerWidget</a>·handles·all·incoming·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·objects,·converts·them·into·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects·(if·possible)·and·sents·them·through·the·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·tree·with·the·message·NewCompositeMessage.·Also·it·stores·all·received·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects·and·replaces·them·if·the·same·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object·is·received·again.·If·a·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object·is·replaced·the·message·RemovedCompositeMessage·will·be·sent·through·the·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·tree·and·after·that·the·the·message·NewCompositeMessage·with·the·new·received·composite·will·be·sent.·</p>
  
272 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbf/a01109_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../d8/dbf/a01109_source.html">serverWidget.h</a>.</p>272 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d71/a01055_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../d2/d71/a01055_source.html">serverWidget.h</a>.</p>
273 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>273 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
274 <a·id="af202c286cf64b218c10b208648a20b38"·name="af202c286cf64b218c10b208648a20b38"></a>274 <a·id="af202c286cf64b218c10b208648a20b38"·name="af202c286cf64b218c10b208648a20b38"></a>
275 <h2·class="memtitle"><span·class="permalink"><a·href="#af202c286cf64b218c10b208648a20b38">&#9670;&nbsp;</a></span>ServerWidget()·<span·class="overload">[1/2]</span></h2>275 <h2·class="memtitle"><span·class="permalink"><a·href="#af202c286cf64b218c10b208648a20b38">&#9670;&nbsp;</a></span>ServerWidget()·<span·class="overload">[1/2]</span></h2>
  
276 <div·class="memitem">276 <div·class="memitem">
277 <div·class="memproto">277 <div·class="memproto">
278 ······<table·class="memname">278 ······<table·class="memname">
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371 ··<td·class="mlabels-right">371 ··<td·class="mlabels-right">
372 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>372 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
373 ··</tr>373 ··</tr>
374 </table>374 </table>
375 </div><div·class="memdoc">375 </div><div·class="memdoc">
376 <p·>Start·the·server.·</p>376 <p·>Start·the·server.·</p>
  
377 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbf/a01109_source.html#l00169">169</a>·of·file·<a·class="el"·href="../../d8/dbf/a01109_source.html">serverWidget.h</a>.</p>377 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d71/a01055_source.html#l00169">169</a>·of·file·<a·class="el"·href="../../d2/d71/a01055_source.html">serverWidget.h</a>.</p>
  
378 </div>378 </div>
379 </div>379 </div>
380 <a·id="a11aecc068be199eb5df523e11829c998"·name="a11aecc068be199eb5df523e11829c998"></a>380 <a·id="a11aecc068be199eb5df523e11829c998"·name="a11aecc068be199eb5df523e11829c998"></a>
381 <h2·class="memtitle"><span·class="permalink"><a·href="#a11aecc068be199eb5df523e11829c998">&#9670;&nbsp;</a></span>applyPreferences()</h2>381 <h2·class="memtitle"><span·class="permalink"><a·href="#a11aecc068be199eb5df523e11829c998">&#9670;&nbsp;</a></span>applyPreferences()</h2>
  
382 <div·class="memitem">382 <div·class="memitem">
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494 ··<td·class="mlabels-right">494 ··<td·class="mlabels-right">
495 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>495 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
496 ··</tr>496 ··</tr>
497 </table>497 </table>
498 </div><div·class="memdoc">498 </div><div·class="memdoc">
499 <p·>Stop·the·server.·</p>499 <p·>Stop·the·server.·</p>
  
500 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbf/a01109_source.html#l00173">173</a>·of·file·<a·class="el"·href="../../d8/dbf/a01109_source.html">serverWidget.h</a>.</p>500 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d71/a01055_source.html#l00173">173</a>·of·file·<a·class="el"·href="../../d2/d71/a01055_source.html">serverWidget.h</a>.</p>
  
501 </div>501 </div>
502 </div>502 </div>
503 <a·id="a20841273c5092ffc9bef04f8f90e4394"·name="a20841273c5092ffc9bef04f8f90e4394"></a>503 <a·id="a20841273c5092ffc9bef04f8f90e4394"·name="a20841273c5092ffc9bef04f8f90e4394"></a>
504 <h2·class="memtitle"><span·class="permalink"><a·href="#a20841273c5092ffc9bef04f8f90e4394">&#9670;&nbsp;</a></span>dump()</h2>504 <h2·class="memtitle"><span·class="permalink"><a·href="#a20841273c5092ffc9bef04f8f90e4394">&#9670;&nbsp;</a></span>dump()</h2>
  
505 <div·class="memitem">505 <div·class="memitem">
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8 <title>BALL:·kernelModel.h·File·Reference</title>8 <title>BALL:·rotationalEntropy.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">kernelModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">rotationalEntropy.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/de8/a02006_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../de/d0a/a02015_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d7/dd7/a20338_source.html">BALL/QSAR/kernel.h</a>&gt;</code><br·/> 
77 </div>75 </div>
78 <p><a·href="../../da/dbe/a02084_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../da/dbe/a02084_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">77 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>79 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dd1/a05730.html">BALL::QSAR::KernelModel</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d14/a06358.html">BALL::RotationalEntropy</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
84 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
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86 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
91 </table>87 </table>
92 </div><!--·contents·-->88 </div><!--·contents·-->
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71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="../../d2/df8/a07539.html">List·of·all·members</a>··</div>72 <a·href="../../d2/df8/a07539.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::BondProperties·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::BondProperties·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d8/d4e/a01355_source.html">BALL/VIEW/DIALOGS/bondProperties.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d0/d67/a01232_source.html">BALL/VIEW/DIALOGS/bondProperties.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::BondProperties:</div>78 Inheritance·diagram·for·BALL::VIEW::BondProperties:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../da/dc0/a07542.png"·usemap="#BALL::VIEW::BondProperties_map"·alt=""/>81 ··<img·src="../../da/dc0/a07542.png"·usemap="#BALL::VIEW::BondProperties_map"·alt=""/>
82 ··<map·id="BALL::VIEW::BondProperties_map"·name="BALL::VIEW::BondProperties_map">82 ··<map·id="BALL::VIEW::BondProperties_map"·name="BALL::VIEW::BondProperties_map">
83 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,173,24"/>83 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,173,24"/>
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100 <tr·class="separator:a7aa28316ed9ff8ff49990bb6dc9545cd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:a7aa28316ed9ff8ff49990bb6dc9545cd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 <tr·class="memitem:a8bda53899e7f0b497d12a296e6930167"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dc0/a07542.html#a8bda53899e7f0b497d12a296e6930167">~BondProperties</a>·()</td></tr>101 <tr·class="memitem:a8bda53899e7f0b497d12a296e6930167"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dc0/a07542.html#a8bda53899e7f0b497d12a296e6930167">~BondProperties</a>·()</td></tr>
102 <tr·class="separator:a8bda53899e7f0b497d12a296e6930167"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:a8bda53899e7f0b497d12a296e6930167"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 </table>103 </table>
104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
105 <div·class="textblock"><p·>Dialog·for·showing·and·changing·the·properties·of·the·bonds·of·an·atom·</p>105 <div·class="textblock"><p·>Dialog·for·showing·and·changing·the·properties·of·the·bonds·of·an·atom·</p>
  
106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d4e/a01355_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d8/d4e/a01355_source.html">bondProperties.h</a>.</p>106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d67/a01232_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d0/d67/a01232_source.html">bondProperties.h</a>.</p>
107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
108 <a·id="a7aa28316ed9ff8ff49990bb6dc9545cd"·name="a7aa28316ed9ff8ff49990bb6dc9545cd"></a>108 <a·id="a7aa28316ed9ff8ff49990bb6dc9545cd"·name="a7aa28316ed9ff8ff49990bb6dc9545cd"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#a7aa28316ed9ff8ff49990bb6dc9545cd">&#9670;&nbsp;</a></span>BondProperties()</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#a7aa28316ed9ff8ff49990bb6dc9545cd">&#9670;&nbsp;</a></span>BondProperties()</h2>
  
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../d3/d83/a06287.html">List·of·all·members</a>··</div>71 <a·href="../../d3/d83/a06287.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::HydrogenBondSlick·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::HydrogenBondSlick·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/SCORING/COMPONENTS/hydrogenBondSlick.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d2/d8a/a02063_source.html">BALL/SCORING/COMPONENTS/hydrogenBondSlick.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::HydrogenBondSlick:</div>77 Inheritance·diagram·for·BALL::HydrogenBondSlick:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../da/dc8/a06290.png"·usemap="#BALL::HydrogenBondSlick_map"·alt=""/>80 ··<img·src="../../da/dc8/a06290.png"·usemap="#BALL::HydrogenBondSlick_map"·alt=""/>
81 ··<map·id="BALL::HydrogenBondSlick_map"·name="BALL::HydrogenBondSlick_map">81 ··<map·id="BALL::HydrogenBondSlick_map"·name="BALL::HydrogenBondSlick_map">
82 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,161,24"/>82 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,161,24"/>
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208 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>208 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
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210 </table>210 </table>
211 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>211 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
212 <div·class="textblock"><p·>Fresno·Hydrogen·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·component.·{\bf·Definition:}·\URL{<a·class="el"·href="../../d3/dd5/a00215.html">BALL/SCORING/COMPONENTS/hydrogenBondSlick.h</a>}·</p>212 <div·class="textblock"><p·>Fresno·Hydrogen·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·component.·{\bf·Definition:}·\URL{<a·class="el"·href="../../d2/d8a/a02063.html">BALL/SCORING/COMPONENTS/hydrogenBondSlick.h</a>}·</p>
  
213 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dd5/a00215_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d3/dd5/a00215_source.html">hydrogenBondSlick.h</a>.</p>213 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d8a/a02063_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d2/d8a/a02063_source.html">hydrogenBondSlick.h</a>.</p>
214 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>214 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
215 <a·id="a81dc6cd126d01abd9e13bcc00dfb8802"·name="a81dc6cd126d01abd9e13bcc00dfb8802"></a>215 <a·id="a81dc6cd126d01abd9e13bcc00dfb8802"·name="a81dc6cd126d01abd9e13bcc00dfb8802"></a>
216 <h2·class="memtitle"><span·class="permalink"><a·href="#a81dc6cd126d01abd9e13bcc00dfb8802">&#9670;&nbsp;</a></span>HydrogenBondSlick()·<span·class="overload">[1/4]</span></h2>216 <h2·class="memtitle"><span·class="permalink"><a·href="#a81dc6cd126d01abd9e13bcc00dfb8802">&#9670;&nbsp;</a></span>HydrogenBondSlick()·<span·class="overload">[1/4]</span></h2>
  
217 <div·class="memitem">217 <div·class="memitem">
218 <div·class="memproto">218 <div·class="memproto">
219 ······<table·class="memname">219 ······<table·class="memname">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
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67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">vector2.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">nucleotideMapping.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;string&gt;</code><br·/>
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d49/a01643_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/MATHS/common.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
77 </div>76 </div>
78 <p><a·href="../../da/dcd/a01835_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../da/dcd/a01835_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">78 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>80 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/df6/a04914.html">BALL::TVector2&lt;·T·&gt;</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/ded/a06986.html">BALL::NucleotideMapping</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
84 </table><table·class="memberdecls">83 </table><table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
86 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls"> 
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Global·binary·operator·functions·for·two·dimensional·vectors.</h2></td></tr> 
91 <tr·class="memitem:ga79bc772aca78579b6294de9f76e7cdc0"><td·class="memItemLeft"·align="right"·valign="top">typedef·TVector2&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d48/a02167.html#ga79bc772aca78579b6294de9f76e7cdc0">BALL::Vector2</a></td></tr> 
92 <tr·class="separator:ga79bc772aca78579b6294de9f76e7cdc0"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 <tr·class="memitem:ga7225a6d15e4a2caf763ee108e42a2a53"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
94 <tr·class="memitem:ga7225a6d15e4a2caf763ee108e42a2a53"><td·class="memTemplItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d1/dd8/a01022.html#aac36dac5eb210529000645a87a85b79c">BALL_INLINE</a>·TVector2&lt;·T·&gt;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../de/d48/a02167.html#ga7225a6d15e4a2caf763ee108e42a2a53">BALL::operator*</a>·(const·T·&amp;scalar,·const·TVector2&lt;·T·&gt;·&amp;vector)</td></tr> 
95 <tr·class="separator:ga7225a6d15e4a2caf763ee108e42a2a53"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
96 <tr·class="memitem:ga371dfbf0109f113eda2f6539fdefe4f2"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
97 <tr·class="memitem:ga371dfbf0109f113eda2f6539fdefe4f2"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../de/d48/a02167.html#ga371dfbf0109f113eda2f6539fdefe4f2">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·TVector2&lt;·T·&gt;·&amp;vector)</td></tr> 
98 <tr·class="separator:ga371dfbf0109f113eda2f6539fdefe4f2"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
99 <tr·class="memitem:gaa5abe9bc265b7707e37eead6ae1c2ff7"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
100 <tr·class="memitem:gaa5abe9bc265b7707e37eead6ae1c2ff7"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../de/d48/a02167.html#gaa5abe9bc265b7707e37eead6ae1c2ff7">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·TVector2&lt;·T·&gt;·&amp;vector)</td></tr> 
101 <tr·class="separator:gaa5abe9bc265b7707e37eead6ae1c2ff7"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 </table>88 </table>
103 </div><!--·contents·-->89 </div><!--·contents·-->
104 <!--·start·footer·part·-->90 <!--·start·footer·part·-->
105 <hr·class="footer"/><address·class="footer"><small>91 <hr·class="footer"/><address·class="footer"><small>
106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.492 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../de/dc7/a06607.html">List·of·all·members</a>··</div>70 <a·href="../../de/dc7/a06607.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::SolventDescriptor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::SolventDescriptor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d0/d9d/a01760_source.html">BALL/SOLVATION/solventDescriptor.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d4/d93/a01955_source.html">BALL/SOLVATION/solventDescriptor.h</a>&gt;</code></p>
75 <table·class="memberdecls">75 <table·class="memberdecls">
76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
77 Public·Member·Functions</h2></td></tr>77 Public·Member·Functions</h2></td></tr>
78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·destructor</div></td></tr>78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·destructor</div></td></tr>
79 <tr·class="memitem:a6870296c2392fa5ca73c73727e0ec816"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd2/a06610.html#a6870296c2392fa5ca73c73727e0ec816">SolventDescriptor</a>·()</td></tr>79 <tr·class="memitem:a6870296c2392fa5ca73c73727e0ec816"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd2/a06610.html#a6870296c2392fa5ca73c73727e0ec816">SolventDescriptor</a>·()</td></tr>
80 <tr·class="separator:a6870296c2392fa5ca73c73727e0ec816"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a6870296c2392fa5ca73c73727e0ec816"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:ab13b659d5bbf18084ebbb22867d9da76"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd2/a06610.html#ab13b659d5bbf18084ebbb22867d9da76">SolventDescriptor</a>·(const·<a·class="el"·href="../../da/dd2/a06610.html">SolventDescriptor</a>·&amp;solvent)</td></tr>81 <tr·class="memitem:ab13b659d5bbf18084ebbb22867d9da76"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd2/a06610.html#ab13b659d5bbf18084ebbb22867d9da76">SolventDescriptor</a>·(const·<a·class="el"·href="../../da/dd2/a06610.html">SolventDescriptor</a>·&amp;solvent)</td></tr>
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125 <tr·class="separator:a84a3afee99b42299160f61fdc5a8eccb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>125 <tr·class="separator:a84a3afee99b42299160f61fdc5a8eccb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
126 <tr·class="memitem:a8263af7ba4f402c3ebebea7986a441a0"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd2/a06610.html#a8263af7ba4f402c3ebebea7986a441a0">operator==</a>·(const·<a·class="el"·href="../../da/dd2/a06610.html">SolventDescriptor</a>·&amp;descriptor)·const</td></tr>126 <tr·class="memitem:a8263af7ba4f402c3ebebea7986a441a0"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd2/a06610.html#a8263af7ba4f402c3ebebea7986a441a0">operator==</a>·(const·<a·class="el"·href="../../da/dd2/a06610.html">SolventDescriptor</a>·&amp;descriptor)·const</td></tr>
127 <tr·class="separator:a8263af7ba4f402c3ebebea7986a441a0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>127 <tr·class="separator:a8263af7ba4f402c3ebebea7986a441a0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
128 </table>128 </table>
129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
130 <div·class="textblock"><p·>Solvent·Description.·The·calculation·of·van-der-Waals·energies·requires·information·about·the·solvent·which·is·stored·in·this·structure.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>130 <div·class="textblock"><p·>Solvent·Description.·The·calculation·of·van-der-Waals·energies·requires·information·about·the·solvent·which·is·stored·in·this·structure.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>
  
131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d9d/a01760_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d0/d9d/a01760_source.html">solventDescriptor.h</a>.</p>131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">solventDescriptor.h</a>.</p>
132 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>132 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
133 <a·id="a6870296c2392fa5ca73c73727e0ec816"·name="a6870296c2392fa5ca73c73727e0ec816"></a>133 <a·id="a6870296c2392fa5ca73c73727e0ec816"·name="a6870296c2392fa5ca73c73727e0ec816"></a>
134 <h2·class="memtitle"><span·class="permalink"><a·href="#a6870296c2392fa5ca73c73727e0ec816">&#9670;&nbsp;</a></span>SolventDescriptor()·<span·class="overload">[1/3]</span></h2>134 <h2·class="memtitle"><span·class="permalink"><a·href="#a6870296c2392fa5ca73c73727e0ec816">&#9670;&nbsp;</a></span>SolventDescriptor()·<span·class="overload">[1/3]</span></h2>
  
135 <div·class="memitem">135 <div·class="memitem">
136 <div·class="memproto">136 <div·class="memproto">
137 ······<table·class="memname">137 ······<table·class="memname">
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516 ··</td>516 ··</td>
517 ··<td·class="mlabels-right">517 ··<td·class="mlabels-right">
518 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>518 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
519 ··</tr>519 ··</tr>
520 </table>520 </table>
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523 </div>523 </div>
524 </div>524 </div>
525 <a·id="a0f2560bd27b7724730601283215d9761"·name="a0f2560bd27b7724730601283215d9761"></a>525 <a·id="a0f2560bd27b7724730601283215d9761"·name="a0f2560bd27b7724730601283215d9761"></a>
526 <h2·class="memtitle"><span·class="permalink"><a·href="#a0f2560bd27b7724730601283215d9761">&#9670;&nbsp;</a></span>number_density_</h2>526 <h2·class="memtitle"><span·class="permalink"><a·href="#a0f2560bd27b7724730601283215d9761">&#9670;&nbsp;</a></span>number_density_</h2>
  
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540 ··</td>540 ··</td>
541 ··<td·class="mlabels-right">541 ··<td·class="mlabels-right">
542 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>542 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
543 ··</tr>543 ··</tr>
544 </table>544 </table>
545 </div><div·class="memdoc">545 </div><div·class="memdoc">
  
546 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d9d/a01760_source.html#l00174">174</a>·of·file·<a·class="el"·href="../../d0/d9d/a01760_source.html">solventDescriptor.h</a>.</p>546 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00174">174</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">solventDescriptor.h</a>.</p>
  
547 </div>547 </div>
548 </div>548 </div>
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550 <h2·class="memtitle"><span·class="permalink"><a·href="#a94abaeb3e4fde1c3df81921f5a7a4fe5">&#9670;&nbsp;</a></span>solvent_atoms_</h2>550 <h2·class="memtitle"><span·class="permalink"><a·href="#a94abaeb3e4fde1c3df81921f5a7a4fe5">&#9670;&nbsp;</a></span>solvent_atoms_</h2>
  
551 <div·class="memitem">551 <div·class="memitem">
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564 ··</td>564 ··</td>
565 ··<td·class="mlabels-right">565 ··<td·class="mlabels-right">
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567 ··</tr>567 ··</tr>
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569 </div><div·class="memdoc">569 </div><div·class="memdoc">
  
570 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d9d/a01760_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../d0/d9d/a01760_source.html">solventDescriptor.h</a>.</p>570 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">solventDescriptor.h</a>.</p>
  
571 </div>571 </div>
572 </div>572 </div>
573 <a·id="a5965a45ccc05fd7515c4f5dbfc75a50b"·name="a5965a45ccc05fd7515c4f5dbfc75a50b"></a>573 <a·id="a5965a45ccc05fd7515c4f5dbfc75a50b"·name="a5965a45ccc05fd7515c4f5dbfc75a50b"></a>
574 <h2·class="memtitle"><span·class="permalink"><a·href="#a5965a45ccc05fd7515c4f5dbfc75a50b">&#9670;&nbsp;</a></span>valid_</h2>574 <h2·class="memtitle"><span·class="permalink"><a·href="#a5965a45ccc05fd7515c4f5dbfc75a50b">&#9670;&nbsp;</a></span>valid_</h2>
  
575 <div·class="memitem">575 <div·class="memitem">
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588 ··</td>588 ··</td>
589 ··<td·class="mlabels-right">589 ··<td·class="mlabels-right">
590 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>590 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
591 ··</tr>591 ··</tr>
592 </table>592 </table>
593 </div><div·class="memdoc">593 </div><div·class="memdoc">
  
594 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d9d/a01760_source.html#l00182">182</a>·of·file·<a·class="el"·href="../../d0/d9d/a01760_source.html">solventDescriptor.h</a>.</p>594 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00182">182</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">solventDescriptor.h</a>.</p>
  
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600 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4600 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d8/dd4/a03195.html">List·of·all·members</a>··</div>70 <a·href="../../d8/dd4/a03195.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::LogStream·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::LogStream·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/COMMON/logStream.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../df/d6f/a00623_source.html">BALL/COMMON/logStream.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::LogStream:</div>76 Inheritance·diagram·for·BALL::LogStream:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../da/dd3/a03198.png"·alt=""/>79 ··<img·src="../../da/dd3/a03198.png"·alt=""/>
80 ·</div></div>80 ·</div></div>
81 <table·class="memberdecls">81 <table·class="memberdecls">
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153 <tr·class="memitem:a0c5e797c57f512b2046d1b32eab8be4a"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd3/a03198.html#a0c5e797c57f512b2046d1b32eab8be4a">filterLines</a>·(int·min_level=<a·class="el"·href="../../dd/d71/a03182.html#af0ea614ff30a60ea25cf1ba0500801f1">LogStreamBuf::MIN_LEVEL</a>,·int·max_level=<a·class="el"·href="../../dd/d71/a03182.html#a1f5b83414d4c0974de7baf036ac2dc15">LogStreamBuf::MAX_LEVEL</a>,·<a·class="el"·href="../../da/da2/a02217.html#a33313e0068bbaa94fae16f21ec2e6b25">Time</a>·earliest=0,·<a·class="el"·href="../../da/da2/a02217.html#a33313e0068bbaa94fae16f21ec2e6b25">Time</a>·latest=<a·class="el"·href="../../dd/d71/a03182.html#a817da7bbaf05d2b4bc7c12ec9695f021">LogStreamBuf::MAX_TIME</a>,·const·string·&amp;s=&quot;&quot;)·const</td></tr>153 <tr·class="memitem:a0c5e797c57f512b2046d1b32eab8be4a"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd3/a03198.html#a0c5e797c57f512b2046d1b32eab8be4a">filterLines</a>·(int·min_level=<a·class="el"·href="../../dd/d71/a03182.html#af0ea614ff30a60ea25cf1ba0500801f1">LogStreamBuf::MIN_LEVEL</a>,·int·max_level=<a·class="el"·href="../../dd/d71/a03182.html#a1f5b83414d4c0974de7baf036ac2dc15">LogStreamBuf::MAX_LEVEL</a>,·<a·class="el"·href="../../da/da2/a02217.html#a33313e0068bbaa94fae16f21ec2e6b25">Time</a>·earliest=0,·<a·class="el"·href="../../da/da2/a02217.html#a33313e0068bbaa94fae16f21ec2e6b25">Time</a>·latest=<a·class="el"·href="../../dd/d71/a03182.html#a817da7bbaf05d2b4bc7c12ec9695f021">LogStreamBuf::MAX_TIME</a>,·const·string·&amp;s=&quot;&quot;)·const</td></tr>
154 <tr·class="separator:a0c5e797c57f512b2046d1b32eab8be4a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>154 <tr·class="separator:a0c5e797c57f512b2046d1b32eab8be4a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
155 </table>155 </table>
156 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>156 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
157 <div·class="textblock"><p·>Log·Stream·Class.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>157 <div·class="textblock"><p·>Log·Stream·Class.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
158 <dl·class="section·user"><dt></dt><dd></dd></dl>158 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00244">244</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">logStream.h</a>.</p>159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6f/a00623_source.html#l00244">244</a>·of·file·<a·class="el"·href="../../df/d6f/a00623_source.html">logStream.h</a>.</p>
160 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>160 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
161 <a·id="ab94cfbfb6713957e645c264676de9409"·name="ab94cfbfb6713957e645c264676de9409"></a>161 <a·id="ab94cfbfb6713957e645c264676de9409"·name="ab94cfbfb6713957e645c264676de9409"></a>
162 <h2·class="memtitle"><span·class="permalink"><a·href="#ab94cfbfb6713957e645c264676de9409">&#9670;&nbsp;</a></span>LogStreamLevel</h2>162 <h2·class="memtitle"><span·class="permalink"><a·href="#ab94cfbfb6713957e645c264676de9409">&#9670;&nbsp;</a></span>LogStreamLevel</h2>
  
163 <div·class="memitem">163 <div·class="memitem">
164 <div·class="memproto">164 <div·class="memproto">
165 ······<table·class="memname">165 ······<table·class="memname">
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176 </td></tr>176 </td></tr>
177 <tr><td·class="fieldname"><a·id="ab94cfbfb6713957e645c264676de9409a44f8ad54cb36eb32d43c9959bf0a5b4a"·name="ab94cfbfb6713957e645c264676de9409a44f8ad54cb36eb32d43c9959bf0a5b4a"></a>WARNING_LEVEL&#160;</td><td·class="fielddoc"><p·>Loglevels·&gt;=·WARNING·should·be·used·to·indicate·warnings·</p>177 <tr><td·class="fieldname"><a·id="ab94cfbfb6713957e645c264676de9409a44f8ad54cb36eb32d43c9959bf0a5b4a"·name="ab94cfbfb6713957e645c264676de9409a44f8ad54cb36eb32d43c9959bf0a5b4a"></a>WARNING_LEVEL&#160;</td><td·class="fielddoc"><p·>Loglevels·&gt;=·WARNING·should·be·used·to·indicate·warnings·</p>
178 </td></tr>178 </td></tr>
179 <tr><td·class="fieldname"><a·id="ab94cfbfb6713957e645c264676de9409a78a0b94e22725a2bbb36a43293365be1"·name="ab94cfbfb6713957e645c264676de9409a78a0b94e22725a2bbb36a43293365be1"></a>INFORMATION_LEVEL&#160;</td><td·class="fielddoc"><p·>Loglevels·&gt;=·INFORMATION·indicate·information·messages·</p>179 <tr><td·class="fieldname"><a·id="ab94cfbfb6713957e645c264676de9409a78a0b94e22725a2bbb36a43293365be1"·name="ab94cfbfb6713957e645c264676de9409a78a0b94e22725a2bbb36a43293365be1"></a>INFORMATION_LEVEL&#160;</td><td·class="fielddoc"><p·>Loglevels·&gt;=·INFORMATION·indicate·information·messages·</p>
180 </td></tr>180 </td></tr>
181 </table>181 </table>
  
182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00261">261</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">logStream.h</a>.</p>182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6f/a00623_source.html#l00261">261</a>·of·file·<a·class="el"·href="../../df/d6f/a00623_source.html">logStream.h</a>.</p>
  
183 </div>183 </div>
184 </div>184 </div>
185 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>185 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
186 <a·id="a7b2c997720e38af035b7768a5487ace0"·name="a7b2c997720e38af035b7768a5487ace0"></a>186 <a·id="a7b2c997720e38af035b7768a5487ace0"·name="a7b2c997720e38af035b7768a5487ace0"></a>
187 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b2c997720e38af035b7768a5487ace0">&#9670;&nbsp;</a></span>LogStream()</h2>187 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b2c997720e38af035b7768a5487ace0">&#9670;&nbsp;</a></span>LogStream()</h2>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>
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66 </div><!--·top·-->66 </div><!--·top·-->
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71 ··<div·class="headertitle"><div·class="title">pyWidget.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">gridAnalysis.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d9/df5/a01574_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d4/d51/a01520_source.html">BALL/VIEW/WIDGETS/textEditorWidget.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;QtGui/QDragEnterEvent&gt;</code><br·/> 
79 <code>#include·&lt;QtGui/QKeyEvent&gt;</code><br·/> 
80 <code>#include·&lt;QtGui/QDropEvent&gt;</code><br·/> 
81 <code>#include·&lt;QtWidgets/QLineEdit&gt;</code><br·/> 
82 <code>#include·&lt;QtWidgets/QComboBox&gt;</code><br·/> 
83 <code>#include·&lt;QtWidgets/QTabWidget&gt;</code><br·/> 
84 <code>#include·&lt;QtGui/QSyntaxHighlighter&gt;</code><br·/> 
85 <code>#include·&lt;QtGui/QValidator&gt;</code><br·/> 
86 <code>#include·&lt;QtCore/QStringList&gt;</code><br·/> 
87 <code>#include·&lt;QtCore/QThread&gt;</code><br·/>76 <code>#include·&lt;map&gt;</code><br·/>
88 </div>77 </div>
89 <p><a·href="../../da/dd5/a01580_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../da/dd5/a01580_source.html">Go·to·the·source·code·of·this·file.</a></p>
90 <table·class="memberdecls">79 <table·class="memberdecls">
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63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">stretchComponent.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">commandlineParser.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../dc/d17/a00872_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../dc/d17/a00872_source.html">BALL/FORMAT/paramFile.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d0/dad/a00806_source.html">BALL/MOLMEC/PARAMETER/quadraticBondStretch.h</a>&gt;</code><br·/>77 <code>#include·&lt;map&gt;</code><br·/>
 78 <code>#include·&lt;set&gt;</code><br·/>
77 </div>79 </div>
78 <p><a·href="../../da/dd6/a00896_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../da/dd6/a00896_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">81 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>83 Classes</h2></td></tr>
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84 </table><table·class="memberdecls">86 </table><table·class="memberdecls">
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86 Namespaces</h2></td></tr>88 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c87a3f409bf7b467c2853acf63d5429e.html">INPUT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
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66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">notificationEvent.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">FDPBDialog.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;QtCore/QEvent&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d0/d39/a01112_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d0/dce/a01946_source.html">BALL/SOLVATION/poissonBoltzmann.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../de/de1/a00065_source.html">BALL/MOLMEC/COMMON/radiusRuleProcessor.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/MOLMEC/COMMON/chargeRuleProcessor.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../da/d18/a01850_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code><br·/>
 81 <code>#include·&lt;BALL/VIEW/UIC/ui_FDPBDialog.h&gt;</code><br·/>
76 </div>82 </div>
77 <p><a·href="../../da/dd8/a01265_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../da/dd8/a01265_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">84 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d49/a07778.html">BALL::VIEW::NotificationEvent</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd4/a07606.html">BALL::VIEW::FDPBDialog</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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85 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d4/dfd/a08203.html">List·of·all·members</a>··</div>70 <a·href="../../d4/dfd/a08203.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Tube·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Tube·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d2/d48/a01472_source.html">BALL/VIEW/PRIMITIVES/tube.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../da/d06/a01403_source.html">BALL/VIEW/PRIMITIVES/tube.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::Tube:</div>76 Inheritance·diagram·for·BALL::VIEW::Tube:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../da/de1/a08206.png"·usemap="#BALL::VIEW::Tube_map"·alt=""/>79 ··<img·src="../../da/de1/a08206.png"·usemap="#BALL::VIEW::Tube_map"·alt=""/>
80 ··<map·id="BALL::VIEW::Tube_map"·name="BALL::VIEW::Tube_map">80 ··<map·id="BALL::VIEW::Tube_map"·name="BALL::VIEW::Tube_map">
81 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>81 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>
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232 <li>radius·-·the·radius·of·the·tube</li>232 <li>radius·-·the·radius·of·the·tube</li>
233 <li>vertex1·-·the·first·vertex·of·the·tube</li>233 <li>vertex1·-·the·first·vertex·of·the·tube</li>
234 <li>vertex2·-·the·second·vertex·of·the·tube·<dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../da/de1/a08206.html">Tube</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·Radius·and·<a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</dd></dl>234 <li>vertex2·-·the·second·vertex·of·the·tube·<dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../da/de1/a08206.html">Tube</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·Radius·and·<a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</dd></dl>
235 <dl·class="section·user"><dt></dt><dd></dd></dl>235 <dl·class="section·user"><dt></dt><dd></dd></dl>
236 </li>236 </li>
237 </ul>237 </ul>
  
238 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d48/a01472_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d2/d48/a01472_source.html">tube.h</a>.</p>238 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d06/a01403_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../da/d06/a01403_source.html">tube.h</a>.</p>
239 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>239 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
240 <a·id="a9894cc1b786f5d9e6266c3403e4b5d81"·name="a9894cc1b786f5d9e6266c3403e4b5d81"></a>240 <a·id="a9894cc1b786f5d9e6266c3403e4b5d81"·name="a9894cc1b786f5d9e6266c3403e4b5d81"></a>
241 <h2·class="memtitle"><span·class="permalink"><a·href="#a9894cc1b786f5d9e6266c3403e4b5d81">&#9670;&nbsp;</a></span>Tube()·<span·class="overload">[1/2]</span></h2>241 <h2·class="memtitle"><span·class="permalink"><a·href="#a9894cc1b786f5d9e6266c3403e4b5d81">&#9670;&nbsp;</a></span>Tube()·<span·class="overload">[1/2]</span></h2>
  
242 <div·class="memitem">242 <div·class="memitem">
243 <div·class="memproto">243 <div·class="memproto">
244 ······<table·class="memname">244 ······<table·class="memname">
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420 ··<td·class="mlabels-right">420 ··<td·class="mlabels-right">
421 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>421 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
422 ··</tr>422 ··</tr>
423 </table>423 </table>
424 </div><div·class="memdoc">424 </div><div·class="memdoc">
425 <p·>Inspection·of·the·length·of·the·tube.·Access·the·length·of·this·tube.·</p><dl·class="section·return"><dt>Returns</dt><dd>float·the·length·of·this·tube·</dd></dl>425 <p·>Inspection·of·the·length·of·the·tube.·Access·the·length·of·this·tube.·</p><dl·class="section·return"><dt>Returns</dt><dd>float·the·length·of·this·tube·</dd></dl>
  
426 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d48/a01472_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../d2/d48/a01472_source.html">tube.h</a>.</p>426 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d06/a01403_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../da/d06/a01403_source.html">tube.h</a>.</p>
  
427 </div>427 </div>
428 </div>428 </div>
429 <a·id="ab53d0653fe70dd4305d1c6fe6c8f57e6"·name="ab53d0653fe70dd4305d1c6fe6c8f57e6"></a>429 <a·id="ab53d0653fe70dd4305d1c6fe6c8f57e6"·name="ab53d0653fe70dd4305d1c6fe6c8f57e6"></a>
430 <h2·class="memtitle"><span·class="permalink"><a·href="#ab53d0653fe70dd4305d1c6fe6c8f57e6">&#9670;&nbsp;</a></span>getRadius()</h2>430 <h2·class="memtitle"><span·class="permalink"><a·href="#ab53d0653fe70dd4305d1c6fe6c8f57e6">&#9670;&nbsp;</a></span>getRadius()</h2>
  
431 <div·class="memitem">431 <div·class="memitem">
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448 ··<td·class="mlabels-right">448 ··<td·class="mlabels-right">
449 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>449 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
450 ··</tr>450 ··</tr>
451 </table>451 </table>
452 </div><div·class="memdoc">452 </div><div·class="memdoc">
453 <p·>Get·the·radius.·</p>453 <p·>Get·the·radius.·</p>
  
454 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d48/a01472_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../d2/d48/a01472_source.html">tube.h</a>.</p>454 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d06/a01403_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../da/d06/a01403_source.html">tube.h</a>.</p>
  
455 </div>455 </div>
456 </div>456 </div>
457 <a·id="ab6133f0c12e496f20ea587551ec6d893"·name="ab6133f0c12e496f20ea587551ec6d893"></a>457 <a·id="ab6133f0c12e496f20ea587551ec6d893"·name="ab6133f0c12e496f20ea587551ec6d893"></a>
458 <h2·class="memtitle"><span·class="permalink"><a·href="#ab6133f0c12e496f20ea587551ec6d893">&#9670;&nbsp;</a></span>getSquareLength()</h2>458 <h2·class="memtitle"><span·class="permalink"><a·href="#ab6133f0c12e496f20ea587551ec6d893">&#9670;&nbsp;</a></span>getSquareLength()</h2>
  
459 <div·class="memitem">459 <div·class="memitem">
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476 ··<td·class="mlabels-right">476 ··<td·class="mlabels-right">
477 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>477 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
478 ··</tr>478 ··</tr>
479 </table>479 </table>
480 </div><div·class="memdoc">480 </div><div·class="memdoc">
481 <p·>Inspection·of·the·square·length·of·the·tube.·Access·the·square·length·of·this·tube.·</p><dl·class="section·return"><dt>Returns</dt><dd>float·the·square·length·of·this·tube·</dd></dl>481 <p·>Inspection·of·the·square·length·of·the·tube.·Access·the·square·length·of·this·tube.·</p><dl·class="section·return"><dt>Returns</dt><dd>float·the·square·length·of·this·tube·</dd></dl>
  
482 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d48/a01472_source.html#l00127">127</a>·of·file·<a·class="el"·href="../../d2/d48/a01472_source.html">tube.h</a>.</p>482 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d06/a01403_source.html#l00127">127</a>·of·file·<a·class="el"·href="../../da/d06/a01403_source.html">tube.h</a>.</p>
  
483 </div>483 </div>
484 </div>484 </div>
485 <a·id="ad3e050ac04989ab9f1b3a8abdbc08ff2"·name="ad3e050ac04989ab9f1b3a8abdbc08ff2"></a>485 <a·id="ad3e050ac04989ab9f1b3a8abdbc08ff2"·name="ad3e050ac04989ab9f1b3a8abdbc08ff2"></a>
486 <h2·class="memtitle"><span·class="permalink"><a·href="#ad3e050ac04989ab9f1b3a8abdbc08ff2">&#9670;&nbsp;</a></span>getVertices()</h2>486 <h2·class="memtitle"><span·class="permalink"><a·href="#ad3e050ac04989ab9f1b3a8abdbc08ff2">&#9670;&nbsp;</a></span>getVertices()</h2>
  
487 <div·class="memitem">487 <div·class="memitem">
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608 ··<td·class="mlabels-right">608 ··<td·class="mlabels-right">
609 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>609 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
610 ··</tr>610 ··</tr>
611 </table>611 </table>
612 </div><div·class="memdoc">612 </div><div·class="memdoc">
613 <p·>Set·the·radius.·</p>613 <p·>Set·the·radius.·</p>
  
614 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d48/a01472_source.html#l00176">176</a>·of·file·<a·class="el"·href="../../d2/d48/a01472_source.html">tube.h</a>.</p>614 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d06/a01403_source.html#l00176">176</a>·of·file·<a·class="el"·href="../../da/d06/a01403_source.html">tube.h</a>.</p>
  
615 </div>615 </div>
616 </div>616 </div>
617 <a·id="a39e95670baf6fdb949603310d952a8e2"·name="a39e95670baf6fdb949603310d952a8e2"></a>617 <a·id="a39e95670baf6fdb949603310d952a8e2"·name="a39e95670baf6fdb949603310d952a8e2"></a>
618 <h2·class="memtitle"><span·class="permalink"><a·href="#a39e95670baf6fdb949603310d952a8e2">&#9670;&nbsp;</a></span>swap()</h2>618 <h2·class="memtitle"><span·class="permalink"><a·href="#a39e95670baf6fdb949603310d952a8e2">&#9670;&nbsp;</a></span>swap()</h2>
  
619 <div·class="memitem">619 <div·class="memitem">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d2/d94/a03167.html">List·of·all·members</a>··</div>71 <a·href="../../d2/d94/a03167.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Exception::NotInitialized·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::NotInitialized·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Exception::NotInitialized:</div>77 Inheritance·diagram·for·BALL::Exception::NotInitialized:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../da/de5/a03170.png"·usemap="#BALL::Exception::NotInitialized_map"·alt=""/>80 ··<img·src="../../da/de5/a03170.png"·usemap="#BALL::Exception::NotInitialized_map"·alt=""/>
81 ··<map·id="BALL::Exception::NotInitialized_map"·name="BALL::Exception::NotInitialized_map">81 ··<map·id="BALL::Exception::NotInitialized_map"·name="BALL::Exception::NotInitialized_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·><a·class="el"·href="../../da/de5/a03170.html">NotInitialized</a>·<a·class="el"·href="../../de/d59/a02219.html">Exception</a></p>136 <div·class="textblock"><p·><a·class="el"·href="../../da/de5/a03170.html">NotInitialized</a>·<a·class="el"·href="../../de/d59/a02219.html">Exception</a></p>
137 <p·>Objects·may·throw·this·exception·if·they·have·not·been·sufficiently·initialized.·</p>137 <p·>Objects·may·throw·this·exception·if·they·have·not·been·sufficiently·initialized.·</p>
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00485">485</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00485">485</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
140 <a·id="ae2f1465355287a3e6bcf3ae6594db66b"·name="ae2f1465355287a3e6bcf3ae6594db66b"></a>140 <a·id="ae2f1465355287a3e6bcf3ae6594db66b"·name="ae2f1465355287a3e6bcf3ae6594db66b"></a>
141 <h2·class="memtitle"><span·class="permalink"><a·href="#ae2f1465355287a3e6bcf3ae6594db66b">&#9670;&nbsp;</a></span>NotInitialized()</h2>141 <h2·class="memtitle"><span·class="permalink"><a·href="#ae2f1465355287a3e6bcf3ae6594db66b">&#9670;&nbsp;</a></span>NotInitialized()</h2>
  
142 <div·class="memitem">142 <div·class="memitem">
143 <div·class="memproto">143 <div·class="memproto">
144 ······<table·class="memname">144 ······<table·class="memname">
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73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockingFinishedMessage·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockingFinishedMessage·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·to·notify·docking·has·finished.··76 <p><a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·to·notify·docking·has·finished.··
77 ·<a·href="../../da/de7/a07890.html#details">More...</a></p>77 ·<a·href="../../da/de7/a07890.html#details">More...</a></p>
  
78 <p><code>#include·&lt;<a·class="el"·href="../../d0/d39/a01112_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
80 Inheritance·diagram·for·BALL::VIEW::DockingFinishedMessage:</div>80 Inheritance·diagram·for·BALL::VIEW::DockingFinishedMessage:</div>
81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../da/de7/a07890.png"·usemap="#BALL::VIEW::DockingFinishedMessage_map"·alt=""/>83 ··<img·src="../../da/de7/a07890.png"·usemap="#BALL::VIEW::DockingFinishedMessage_map"·alt=""/>
84 ··<map·id="BALL::VIEW::DockingFinishedMessage_map"·name="BALL::VIEW::DockingFinishedMessage_map">84 ··<map·id="BALL::VIEW::DockingFinishedMessage_map"·name="BALL::VIEW::DockingFinishedMessage_map">
85 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,231,24"/>85 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,231,24"/>
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127 <tr·class="separator:a92eda62ed84f7e0175b4babad6010b68"><td·class="memSeparator"·colspan="2">&#160;</td></tr>127 <tr·class="separator:a92eda62ed84f7e0175b4babad6010b68"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
128 <tr·class="memitem:a273a9dd043d63cf8b1fc526d8908a224"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/de7/a07890.html#a273a9dd043d63cf8b1fc526d8908a224">abort_</a></td></tr>128 <tr·class="memitem:a273a9dd043d63cf8b1fc526d8908a224"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/de7/a07890.html#a273a9dd043d63cf8b1fc526d8908a224">abort_</a></td></tr>
129 <tr·class="separator:a273a9dd043d63cf8b1fc526d8908a224"><td·class="memSeparator"·colspan="2">&#160;</td></tr>129 <tr·class="separator:a273a9dd043d63cf8b1fc526d8908a224"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
130 </table>130 </table>
131 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>131 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
132 <div·class="textblock"><p·><a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·to·notify·docking·has·finished.·</p>132 <div·class="textblock"><p·><a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·to·notify·docking·has·finished.·</p>
  
133 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00846">846</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>133 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00846">846</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
134 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>134 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
135 <a·id="a42fba7534abf4f07c5e531bf88664da5"·name="a42fba7534abf4f07c5e531bf88664da5"></a>135 <a·id="a42fba7534abf4f07c5e531bf88664da5"·name="a42fba7534abf4f07c5e531bf88664da5"></a>
136 <h2·class="memtitle"><span·class="permalink"><a·href="#a42fba7534abf4f07c5e531bf88664da5">&#9670;&nbsp;</a></span>DockingFinishedMessage()·<span·class="overload">[1/2]</span></h2>136 <h2·class="memtitle"><span·class="permalink"><a·href="#a42fba7534abf4f07c5e531bf88664da5">&#9670;&nbsp;</a></span>DockingFinishedMessage()·<span·class="overload">[1/2]</span></h2>
  
137 <div·class="memitem">137 <div·class="memitem">
138 <div·class="memproto">138 <div·class="memproto">
139 ······<table·class="memname">139 ······<table·class="memname">
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213 ··</td>213 ··</td>
214 ··<td·class="mlabels-right">214 ··<td·class="mlabels-right">
215 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>215 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
216 ··</tr>216 ··</tr>
217 </table>217 </table>
218 </div><div·class="memdoc">218 </div><div·class="memdoc">
  
219 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00866">866</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>219 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00866">866</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
220 </div>220 </div>
221 </div>221 </div>
222 <a·id="a246116a1b311d63e6eb7cc6f2e4573f4"·name="a246116a1b311d63e6eb7cc6f2e4573f4"></a>222 <a·id="a246116a1b311d63e6eb7cc6f2e4573f4"·name="a246116a1b311d63e6eb7cc6f2e4573f4"></a>
223 <h2·class="memtitle"><span·class="permalink"><a·href="#a246116a1b311d63e6eb7cc6f2e4573f4">&#9670;&nbsp;</a></span>setConformationSet()</h2>223 <h2·class="memtitle"><span·class="permalink"><a·href="#a246116a1b311d63e6eb7cc6f2e4573f4">&#9670;&nbsp;</a></span>setConformationSet()</h2>
  
224 <div·class="memitem">224 <div·class="memitem">
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241 ··</td>241 ··</td>
242 ··<td·class="mlabels-right">242 ··<td·class="mlabels-right">
243 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>243 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
244 ··</tr>244 ··</tr>
245 </table>245 </table>
246 </div><div·class="memdoc">246 </div><div·class="memdoc">
  
247 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00860">860</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>247 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00860">860</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
248 </div>248 </div>
249 </div>249 </div>
250 <a·id="ac1037fcad79a5e6d213d7669a0e2b95f"·name="ac1037fcad79a5e6d213d7669a0e2b95f"></a>250 <a·id="ac1037fcad79a5e6d213d7669a0e2b95f"·name="ac1037fcad79a5e6d213d7669a0e2b95f"></a>
251 <h2·class="memtitle"><span·class="permalink"><a·href="#ac1037fcad79a5e6d213d7669a0e2b95f">&#9670;&nbsp;</a></span>wasAborted()</h2>251 <h2·class="memtitle"><span·class="permalink"><a·href="#ac1037fcad79a5e6d213d7669a0e2b95f">&#9670;&nbsp;</a></span>wasAborted()</h2>
  
252 <div·class="memitem">252 <div·class="memitem">
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268 ··</td>268 ··</td>
269 ··<td·class="mlabels-right">269 ··<td·class="mlabels-right">
270 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>270 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
271 ··</tr>271 ··</tr>
272 </table>272 </table>
273 </div><div·class="memdoc">273 </div><div·class="memdoc">
  
274 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00869">869</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>274 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00869">869</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
275 </div>275 </div>
276 </div>276 </div>
277 <h2·class="groupheader">Member·Data·Documentation</h2>277 <h2·class="groupheader">Member·Data·Documentation</h2>
278 <a·id="a273a9dd043d63cf8b1fc526d8908a224"·name="a273a9dd043d63cf8b1fc526d8908a224"></a>278 <a·id="a273a9dd043d63cf8b1fc526d8908a224"·name="a273a9dd043d63cf8b1fc526d8908a224"></a>
279 <h2·class="memtitle"><span·class="permalink"><a·href="#a273a9dd043d63cf8b1fc526d8908a224">&#9670;&nbsp;</a></span>abort_</h2>279 <h2·class="memtitle"><span·class="permalink"><a·href="#a273a9dd043d63cf8b1fc526d8908a224">&#9670;&nbsp;</a></span>abort_</h2>
  
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293 ··</td>293 ··</td>
294 ··<td·class="mlabels-right">294 ··<td·class="mlabels-right">
295 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>295 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
296 ··</tr>296 ··</tr>
297 </table>297 </table>
298 </div><div·class="memdoc">298 </div><div·class="memdoc">
  
299 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00875">875</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>299 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00875">875</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
300 </div>300 </div>
301 </div>301 </div>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c7a6b3e443e6f200d85971bee20841b.html">GENETICDOCK</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">dockingController.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">rotateBonds.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../dc/d10/a01412_source.html">BALL/VIEW/DIALOGS/dockDialog.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d5/dee/a00518_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d3/da5/a01598_source.html">BALL/DOCKING/COMMON/staticLigandFragment.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;vector&gt;</code><br·/>
76 </div>80 </div>
77 <p><a·href="../../da/ded/a01547_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../da/ded/a01547_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">82 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d8d/a08374.html">BALL::VIEW::DockingController</a></td></tr>85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d38/a03786.html">BALL::RotateBonds</a></td></tr>
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86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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70 <a·href="#pub-types">Public·Types</a>·&#124;70 <a·href="#pub-types">Public·Types</a>·&#124;
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73 ··<div·class="headertitle"><div·class="title">BALL::NucleotideMapping·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::NucleotideMapping·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/STRUCTURE/nucleotideMapping.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../da/dcd/a01835_source.html">BALL/STRUCTURE/nucleotideMapping.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
79 Public·Types</h2></td></tr>79 Public·Types</h2></td></tr>
80 <tr·class="memitem:ac21714f74a05fda47f59c3512f5c2332"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::pair&lt;·const·std::string,·const·std::string·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/ded/a06986.html#ac21714f74a05fda47f59c3512f5c2332">Alignment</a></td></tr>80 <tr·class="memitem:ac21714f74a05fda47f59c3512f5c2332"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::pair&lt;·const·std::string,·const·std::string·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/ded/a06986.html#ac21714f74a05fda47f59c3512f5c2332">Alignment</a></td></tr>
81 <tr·class="separator:ac21714f74a05fda47f59c3512f5c2332"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:ac21714f74a05fda47f59c3512f5c2332"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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104 <tr·class="separator:a15c0f4e5d7aa9f324182fb1e08ca9504"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:a15c0f4e5d7aa9f324182fb1e08ca9504"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 <tr·class="memitem:aad086ac44fdfc11392d6c6b72031e47c"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/ded/a06986.html">NucleotideMapping</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/ded/a06986.html#aad086ac44fdfc11392d6c6b72031e47c">assignFromAlignment</a>·(<a·class="el"·href="../../d4/d22/a04494.html">Chain</a>·&amp;a,·<a·class="el"·href="../../d4/d22/a04494.html">Chain</a>·&amp;b,·const·<a·class="el"·href="../../da/ded/a06986.html#ac21714f74a05fda47f59c3512f5c2332">Alignment</a>·&amp;alignment)</td></tr>105 <tr·class="memitem:aad086ac44fdfc11392d6c6b72031e47c"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/ded/a06986.html">NucleotideMapping</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/ded/a06986.html#aad086ac44fdfc11392d6c6b72031e47c">assignFromAlignment</a>·(<a·class="el"·href="../../d4/d22/a04494.html">Chain</a>·&amp;a,·<a·class="el"·href="../../d4/d22/a04494.html">Chain</a>·&amp;b,·const·<a·class="el"·href="../../da/ded/a06986.html#ac21714f74a05fda47f59c3512f5c2332">Alignment</a>·&amp;alignment)</td></tr>
106 <tr·class="separator:aad086ac44fdfc11392d6c6b72031e47c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>106 <tr·class="separator:aad086ac44fdfc11392d6c6b72031e47c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
107 </table>107 </table>
108 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>108 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
109 <div·class="textblock"><p·>This·class·defines·the·mapping·between·complementary·bases·in·to·strands·of·DNA.·Ideally·this·should·be·tightly·coupled·with·<a·class="el"·href="../../d2/df8/a04550.html">NucleicAcid</a>,·however·as·this·is·currently·broken·this·class·has·to·do·the·job.·This·also·explains·why·a·<a·class="el"·href="../../d4/d22/a04494.html">Chain</a>·is·required·as·an·input.</p>109 <div·class="textblock"><p·>This·class·defines·the·mapping·between·complementary·bases·in·to·strands·of·DNA.·Ideally·this·should·be·tightly·coupled·with·<a·class="el"·href="../../d2/df8/a04550.html">NucleicAcid</a>,·however·as·this·is·currently·broken·this·class·has·to·do·the·job.·This·also·explains·why·a·<a·class="el"·href="../../d4/d22/a04494.html">Chain</a>·is·required·as·an·input.</p>
  
110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d87/a00689_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d1/d87/a00689_source.html">nucleotideMapping.h</a>.</p>110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dcd/a01835_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../da/dcd/a01835_source.html">nucleotideMapping.h</a>.</p>
111 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>111 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
112 <a·id="ac21714f74a05fda47f59c3512f5c2332"·name="ac21714f74a05fda47f59c3512f5c2332"></a>112 <a·id="ac21714f74a05fda47f59c3512f5c2332"·name="ac21714f74a05fda47f59c3512f5c2332"></a>
113 <h2·class="memtitle"><span·class="permalink"><a·href="#ac21714f74a05fda47f59c3512f5c2332">&#9670;&nbsp;</a></span>Alignment</h2>113 <h2·class="memtitle"><span·class="permalink"><a·href="#ac21714f74a05fda47f59c3512f5c2332">&#9670;&nbsp;</a></span>Alignment</h2>
  
114 <div·class="memitem">114 <div·class="memitem">
115 <div·class="memproto">115 <div·class="memproto">
116 ······<table·class="memname">116 ······<table·class="memname">
117 ········<tr>117 ········<tr>
118 ··········<td·class="memname">typedef·std::pair&lt;const·std::string,·const·std::string&gt;·<a·class="el"·href="../../da/ded/a06986.html#ac21714f74a05fda47f59c3512f5c2332">BALL::NucleotideMapping::Alignment</a></td>118 ··········<td·class="memname">typedef·std::pair&lt;const·std::string,·const·std::string&gt;·<a·class="el"·href="../../da/ded/a06986.html#ac21714f74a05fda47f59c3512f5c2332">BALL::NucleotideMapping::Alignment</a></td>
119 ········</tr>119 ········</tr>
120 ······</table>120 ······</table>
121 </div><div·class="memdoc">121 </div><div·class="memdoc">
  
122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d87/a00689_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d1/d87/a00689_source.html">nucleotideMapping.h</a>.</p>122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dcd/a01835_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../da/dcd/a01835_source.html">nucleotideMapping.h</a>.</p>
  
123 </div>123 </div>
124 </div>124 </div>
125 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>125 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
126 <a·id="a8fbc97778f51f7a9386365e2594cca97"·name="a8fbc97778f51f7a9386365e2594cca97"></a>126 <a·id="a8fbc97778f51f7a9386365e2594cca97"·name="a8fbc97778f51f7a9386365e2594cca97"></a>
127 <h2·class="memtitle"><span·class="permalink"><a·href="#a8fbc97778f51f7a9386365e2594cca97">&#9670;&nbsp;</a></span>NucleotideMapping()</h2>127 <h2·class="memtitle"><span·class="permalink"><a·href="#a8fbc97778f51f7a9386365e2594cca97">&#9670;&nbsp;</a></span>NucleotideMapping()</h2>
  
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#typedef-members">Typedefs</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">nucleotideIterator.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">rrModel.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d9c/a00413_source.html">BALL/KERNEL/iterator.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d5f/a00461_source.html">BALL/QSAR/mlrModel.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/predicate.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../dd/d8d/a01667_source.html">BALL/CONCEPT/stdIteratorWrapper.h</a>&gt;</code><br·/> 
78 </div>76 </div>
79 <p><a·href="../../da/dee/a00383_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../da/dee/a00383_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">78 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>80 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d5b/a04562.html">BALL::NucleotideIteratorTraits</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d9a/a05866.html">BALL::QSAR::RRModel</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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92 Typedefs</h2></td></tr> 
93 <tr·class="memitem:a499394aeb00a8bd140722cd9d9e361e3"><td·class="memItemLeft"·align="right"·valign="top">typedef·BidirectionalIterator&lt;·Composite,·Nucleotide,·Composite::CompositeIterator,·NucleotideIteratorTraits·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a499394aeb00a8bd140722cd9d9e361e3">BALL::NucleotideIterator</a></td></tr> 
94 <tr·class="separator:a499394aeb00a8bd140722cd9d9e361e3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 <tr·class="memitem:a10e9fd1b8699a486d37759da120d1f28"><td·class="memItemLeft"·align="right"·valign="top">typedef·ConstBidirectionalIterator&lt;·Composite,·Nucleotide,·Composite::CompositeIterator,·NucleotideIteratorTraits·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a10e9fd1b8699a486d37759da120d1f28">BALL::NucleotideConstIterator</a></td></tr> 
96 <tr·class="separator:a10e9fd1b8699a486d37759da120d1f28"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 <tr·class="memitem:ac9e2e6e8d833f39eb4ae6b5262287a2d"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·NucleotideIterator·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ac9e2e6e8d833f39eb4ae6b5262287a2d">BALL::NucleotideReverseIterator</a></td></tr> 
98 <tr·class="separator:ac9e2e6e8d833f39eb4ae6b5262287a2d"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
99 <tr·class="memitem:a99e7764dd09790f3fbd8081782371fba"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·NucleotideConstIterator·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a99e7764dd09790f3fbd8081782371fba">BALL::NucleotideConstReverseIterator</a></td></tr> 
100 <tr·class="separator:a99e7764dd09790f3fbd8081782371fba"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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73 ··<div·class="headertitle"><div·class="title">BALL::AssignBaseProcessor·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::AssignBaseProcessor·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p>Only·used·for·deriving·interface.··76 <p>Only·used·for·deriving·interface.··
77 ·<a·href="../../da/df4/a05050.html#details">More...</a></p>77 ·<a·href="../../da/df4/a05050.html#details">More...</a></p>
  
78 <p><code>#include·&lt;<a·class="el"·href="../../dd/d08/a00884_source.html">BALL/MOLMEC/COMMON/assignTypes.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../d1/d44/a00098_source.html">BALL/MOLMEC/COMMON/assignTypes.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
80 Inheritance·diagram·for·BALL::AssignBaseProcessor:</div>80 Inheritance·diagram·for·BALL::AssignBaseProcessor:</div>
81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../da/df4/a05050.png"·usemap="#BALL::AssignBaseProcessor_map"·alt=""/>83 ··<img·src="../../da/df4/a05050.png"·usemap="#BALL::AssignBaseProcessor_map"·alt=""/>
84 ··<map·id="BALL::AssignBaseProcessor_map"·name="BALL::AssignBaseProcessor_map">84 ··<map·id="BALL::AssignBaseProcessor_map"·name="BALL::AssignBaseProcessor_map">
85 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="148,56,434,80"/>85 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="148,56,434,80"/>
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141 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>141 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
142 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>142 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
143 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>143 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
144 </table>144 </table>
145 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>145 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
146 <div·class="textblock"><p·>Only·used·for·deriving·interface.·</p>146 <div·class="textblock"><p·>Only·used·for·deriving·interface.·</p>
  
147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a00884_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../dd/d08/a00884_source.html">assignTypes.h</a>.</p>147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">assignTypes.h</a>.</p>
148 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>148 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
149 <a·id="a6e43c7df4b63c01e30db060f4aa4d6cd"·name="a6e43c7df4b63c01e30db060f4aa4d6cd"></a>149 <a·id="a6e43c7df4b63c01e30db060f4aa4d6cd"·name="a6e43c7df4b63c01e30db060f4aa4d6cd"></a>
150 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e43c7df4b63c01e30db060f4aa4d6cd">&#9670;&nbsp;</a></span>AssignBaseProcessor()</h2>150 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e43c7df4b63c01e30db060f4aa4d6cd">&#9670;&nbsp;</a></span>AssignBaseProcessor()</h2>
  
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257 ··</td>257 ··</td>
258 ··<td·class="mlabels-right">258 ··<td·class="mlabels-right">
259 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>259 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
260 ··</tr>260 ··</tr>
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263 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a00884_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../dd/d08/a00884_source.html">assignTypes.h</a>.</p>263 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">assignTypes.h</a>.</p>
  
264 </div>264 </div>
265 </div>265 </div>
266 <a·id="a1007dcb2de9d4aaf10c2fd9f4ac89776"·name="a1007dcb2de9d4aaf10c2fd9f4ac89776"></a>266 <a·id="a1007dcb2de9d4aaf10c2fd9f4ac89776"·name="a1007dcb2de9d4aaf10c2fd9f4ac89776"></a>
267 <h2·class="memtitle"><span·class="permalink"><a·href="#a1007dcb2de9d4aaf10c2fd9f4ac89776">&#9670;&nbsp;</a></span>unassigned_atoms_</h2>267 <h2·class="memtitle"><span·class="permalink"><a·href="#a1007dcb2de9d4aaf10c2fd9f4ac89776">&#9670;&nbsp;</a></span>unassigned_atoms_</h2>
  
268 <div·class="memitem">268 <div·class="memitem">
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281 ··</td>281 ··</td>
282 ··<td·class="mlabels-right">282 ··<td·class="mlabels-right">
283 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>283 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
284 ··</tr>284 ··</tr>
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293 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4293 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li><li·class="navelem"><a·class="el"·href="../../dir_63800ef38c29322dc72b2a63f41a2424.html">RENDERERS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">quadMesh.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">STLRenderer.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d27/a01043_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d6f/a01445_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d1/dde/a01496_source.html">BALL/VIEW/DATATYPE/colorExtensions.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
76 </div>78 </div>
77 <p><a·href="../../da/df6/a01454_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../da/df6/a01454_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">80 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d40/a08190.html">BALL::VIEW::QuadMesh</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/da3/a08310.html">BALL::VIEW::STLRenderer</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d5b/a08194.html">BALL::VIEW::QuadMesh::Quadruple</a></td></tr> 
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87 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
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90 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>90 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d27/a01043_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d2f/a01460_source.html">BALL/VIEW/RENDERING/RENDERERS/raytracingRenderer.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../dc/d06/a01832_source.html">BALL/MATHS/box3.h</a>&gt;</code><br·/>76 <code>#include·&lt;cudamm/cuda.hpp&gt;</code><br·/>
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77 <p><a·href="../../da/df7/a01457_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../da/df7/a01457_source.html">Go·to·the·source·code·of·this·file.</a></p>
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 97 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 98 <a·id="aaebad9ffd64a84520df1c3ee6bbb15ca"·name="aaebad9ffd64a84520df1c3ee6bbb15ca"></a>
 99 <h2·class="memtitle"><span·class="permalink"><a·href="#aaebad9ffd64a84520df1c3ee6bbb15ca">&#9670;&nbsp;</a></span>BALLVIEW_CUDAVOLUMERENDERER_THROW</h2>
  
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 104 ··········<td·class="memname">#define·BALLVIEW_CUDAVOLUMERENDERER_THROW</td>
 105 ··········<td>(</td>
 106 ··········<td·class="paramtype">&#160;</td>
 107 ··········<td·class="paramname">exceptionName,·</td>
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 110 ··········<td·class="paramkey"></td>
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 116 ··········<td></td>
 117 ··········<td>)</td>
 118 ··········<td></td><td>&#160;&#160;&#160;(throw·BALL::Exception::##exceptionName##(__FILE__,·__LINE__,·message))</td>
 119 ········</tr>
 120 ······</table>
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 122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/df7/a01457_source.html#l00008">8</a>·of·file·<a·class="el"·href="../../da/df7/a01457_source.html">cudaVolumeRenderer.h</a>.</p>
  
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../da/d7d/a06615.html">List·of·all·members</a>··</div>71 <a·href="../../da/d7d/a06615.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::UhligCavFreeEnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::UhligCavFreeEnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/d0d/a01748_source.html">BALL/SOLVATION/uhligCavFreeEnergyProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/da9/a01934_source.html">BALL/SOLVATION/uhligCavFreeEnergyProcessor.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::UhligCavFreeEnergyProcessor:</div>77 Inheritance·diagram·for·BALL::UhligCavFreeEnergyProcessor:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../db/d03/a06618.png"·usemap="#BALL::UhligCavFreeEnergyProcessor_map"·alt=""/>80 ··<img·src="../../db/d03/a06618.png"·usemap="#BALL::UhligCavFreeEnergyProcessor_map"·alt=""/>
81 ··<map·id="BALL::UhligCavFreeEnergyProcessor_map"·name="BALL::UhligCavFreeEnergyProcessor_map">81 ··<map·id="BALL::UhligCavFreeEnergyProcessor_map"·name="BALL::UhligCavFreeEnergyProcessor_map">
82 <area·href="../../de/db6/a03826.html"·alt="BALL::EnergyProcessor"·shape="rect"·coords="0,112,341,136"/>82 <area·href="../../de/db6/a03826.html"·alt="BALL::EnergyProcessor"·shape="rect"·coords="0,112,341,136"/>
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166 <tr·class="separator:a423fd75c0b0943e2244fe3de3cfc8ebc·inherit·pro_attribs_a03826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>166 <tr·class="separator:a423fd75c0b0943e2244fe3de3cfc8ebc·inherit·pro_attribs_a03826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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168 <tr·class="separator:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>168 <tr·class="separator:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
169 </table>169 </table>
170 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>170 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
171 <div·class="textblock"><p·><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·the·computation·of·the·cavitation·free·energy.·This·processor·is·using·the·method·proposed·by·Simonson/Bruenger,·J.·Phys.·Chem.·98:4683&ndash;4694,·1994·which·is·based·on·Uhlig,·J.·Phys.·Chem.·41(9):1215&ndash;1225,·1937.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>171 <div·class="textblock"><p·><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·the·computation·of·the·cavitation·free·energy.·This·processor·is·using·the·method·proposed·by·Simonson/Bruenger,·J.·Phys.·Chem.·98:4683&ndash;4694,·1994·which·is·based·on·Uhlig,·J.·Phys.·Chem.·41(9):1215&ndash;1225,·1937.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>
  
172 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d0d/a01748_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d9/d0d/a01748_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>172 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/da9/a01934_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../de/da9/a01934_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>
173 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>173 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
174 <a·id="a67b1dc0275baf1c7424a24d4155dd88a"·name="a67b1dc0275baf1c7424a24d4155dd88a"></a>174 <a·id="a67b1dc0275baf1c7424a24d4155dd88a"·name="a67b1dc0275baf1c7424a24d4155dd88a"></a>
175 <h2·class="memtitle"><span·class="permalink"><a·href="#a67b1dc0275baf1c7424a24d4155dd88a">&#9670;&nbsp;</a></span>UhligCavFreeEnergyProcessor()·<span·class="overload">[1/2]</span></h2>175 <h2·class="memtitle"><span·class="permalink"><a·href="#a67b1dc0275baf1c7424a24d4155dd88a">&#9670;&nbsp;</a></span>UhligCavFreeEnergyProcessor()·<span·class="overload">[1/2]</span></h2>
  
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340 ········<tr>340 ········<tr>
341 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::UhligCavFreeEnergyProcessor::options</td>341 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::UhligCavFreeEnergyProcessor::options</td>
342 ········</tr>342 ········</tr>
343 ······</table>343 ······</table>
344 </div><div·class="memdoc">344 </div><div·class="memdoc">
345 <p·><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·for·the·calculation·of·the·caviation·free·energy·</p>345 <p·><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·for·the·calculation·of·the·caviation·free·energy·</p>
  
346 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d0d/a01748_source.html#l00174">174</a>·of·file·<a·class="el"·href="../../d9/d0d/a01748_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>346 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/da9/a01934_source.html#l00174">174</a>·of·file·<a·class="el"·href="../../de/da9/a01934_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>
  
347 </div>347 </div>
348 </div>348 </div>
349 </div><!--·contents·-->349 </div><!--·contents·-->
350 <!--·start·footer·part·-->350 <!--·start·footer·part·-->
351 <hr·class="footer"/><address·class="footer"><small>351 <hr·class="footer"/><address·class="footer"><small>
352 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4352 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
73 <a·href="../../d1/d3f/a06771.html">List·of·all·members</a>··</div>73 <a·href="../../d1/d3f/a06771.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::Assignment_·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::Assignment_·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d4/d2a/a00632_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8e/a01694_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
80 Public·Member·Functions</h2></td></tr>80 Public·Member·Functions</h2></td></tr>
81 <tr·class="memitem:a78a9cbe01149fc6c866d6bafb4b994cd"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d06/a06774.html#a78a9cbe01149fc6c866d6bafb4b994cd">Assignment_</a>·()</td></tr>81 <tr·class="memitem:a78a9cbe01149fc6c866d6bafb4b994cd"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d06/a06774.html#a78a9cbe01149fc6c866d6bafb4b994cd">Assignment_</a>·()</td></tr>
82 <tr·class="separator:a78a9cbe01149fc6c866d6bafb4b994cd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a78a9cbe01149fc6c866d6bafb4b994cd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:ad0b338526a57aba3c51fcd5be33de5a5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d06/a06774.html#ad0b338526a57aba3c51fcd5be33de5a5">Assignment_</a>·(<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·num_bonds)</td></tr>83 <tr·class="memitem:ad0b338526a57aba3c51fcd5be33de5a5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d06/a06774.html#ad0b338526a57aba3c51fcd5be33de5a5">Assignment_</a>·(<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·num_bonds)</td></tr>
84 <tr·class="separator:ad0b338526a57aba3c51fcd5be33de5a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:ad0b338526a57aba3c51fcd5be33de5a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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121 Protected·Attributes</h2></td></tr>121 Protected·Attributes</h2></td></tr>
122 <tr·class="memitem:a9b6b085c840f5a00ee25339449f1bdef"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../d4/d24/a06742.html#ac5fce435b9e75e63518bd6c6f88af5cb">BondOrder</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d06/a06774.html#a9b6b085c840f5a00ee25339449f1bdef">bonds_</a></td></tr>122 <tr·class="memitem:a9b6b085c840f5a00ee25339449f1bdef"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../d4/d24/a06742.html#ac5fce435b9e75e63518bd6c6f88af5cb">BondOrder</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d06/a06774.html#a9b6b085c840f5a00ee25339449f1bdef">bonds_</a></td></tr>
123 <tr·class="separator:a9b6b085c840f5a00ee25339449f1bdef"><td·class="memSeparator"·colspan="2">&#160;</td></tr>123 <tr·class="separator:a9b6b085c840f5a00ee25339449f1bdef"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
124 </table>124 </table>
125 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>125 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
126 <div·class="textblock"><p·>An·assignment·is·the·solution·of·the·bond·assignment·problem.·It·consists·of·the·penalty·of·this·solution,·and·a·vector·of·bond·values·for·each·bond.·The·bond·order·is·just·a·vector·of·bond·values.·If·you·want·a·<a·class="el"·href="../../d0/de9/a03530.html"·title="HashMap·class·based·on·the·STL·map·(containing·serveral·convenience·functions)">HashMap</a>·which·maps·the·concrete·bonds·to·their·bond·value,·you·should·use·the·<a·class="el"·href="../../d4/d24/a06742.html">FPTBondOrderStrategy</a>·class·instead,·which·can·construct·such·a·<a·class="el"·href="../../d0/de9/a03530.html"·title="HashMap·class·based·on·the·STL·map·(containing·serveral·convenience·functions)">HashMap</a>·from·an·assignment.·Nevertheless·the·index·of·the·bonds·has·a·strict·order:·Each·bond·which·points·to·atoms·with·indizes·u·and·v·can·be·represented·as·edge·(u·&lt;·v).·An·edge·is·less·than·another·edge,·is·either·it's·u·is·less,·or·if·it's·u·is·equal·to·the·other's·u·and·it's·v·is·less·than·the·other's·v.·The·indizes·of·the·atoms·is·given·by·the·graph·structure.·The·first·atom·has·index·0.·We·call·an·assignment·valid·to·a·given·UndirectedGraph·and·PenaltyMap,·if·it's·penalty·is·equal·to·the·sum·of·penalties·of·it's·atoms·in·the·given·penalty·map.·Assignments·which·was·computed·by·the·FPTBondOrder·algorithm·should·be·valid·to·the·same·graph·and·penalty·map·which·was·used·by·the·algorithm.·</p>126 <div·class="textblock"><p·>An·assignment·is·the·solution·of·the·bond·assignment·problem.·It·consists·of·the·penalty·of·this·solution,·and·a·vector·of·bond·values·for·each·bond.·The·bond·order·is·just·a·vector·of·bond·values.·If·you·want·a·<a·class="el"·href="../../d0/de9/a03530.html"·title="HashMap·class·based·on·the·STL·map·(containing·serveral·convenience·functions)">HashMap</a>·which·maps·the·concrete·bonds·to·their·bond·value,·you·should·use·the·<a·class="el"·href="../../d4/d24/a06742.html">FPTBondOrderStrategy</a>·class·instead,·which·can·construct·such·a·<a·class="el"·href="../../d0/de9/a03530.html"·title="HashMap·class·based·on·the·STL·map·(containing·serveral·convenience·functions)">HashMap</a>·from·an·assignment.·Nevertheless·the·index·of·the·bonds·has·a·strict·order:·Each·bond·which·points·to·atoms·with·indizes·u·and·v·can·be·represented·as·edge·(u·&lt;·v).·An·edge·is·less·than·another·edge,·is·either·it's·u·is·less,·or·if·it's·u·is·equal·to·the·other's·u·and·it's·v·is·less·than·the·other's·v.·The·indizes·of·the·atoms·is·given·by·the·graph·structure.·The·first·atom·has·index·0.·We·call·an·assignment·valid·to·a·given·UndirectedGraph·and·PenaltyMap,·if·it's·penalty·is·equal·to·the·sum·of·penalties·of·it's·atoms·in·the·given·penalty·map.·Assignments·which·was·computed·by·the·FPTBondOrder·algorithm·should·be·valid·to·the·same·graph·and·penalty·map·which·was·used·by·the·algorithm.·</p>
  
127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00698">698</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00698">698</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
128 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>128 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
129 <a·id="a78a9cbe01149fc6c866d6bafb4b994cd"·name="a78a9cbe01149fc6c866d6bafb4b994cd"></a>129 <a·id="a78a9cbe01149fc6c866d6bafb4b994cd"·name="a78a9cbe01149fc6c866d6bafb4b994cd"></a>
130 <h2·class="memtitle"><span·class="permalink"><a·href="#a78a9cbe01149fc6c866d6bafb4b994cd">&#9670;&nbsp;</a></span>Assignment_()·<span·class="overload">[1/4]</span></h2>130 <h2·class="memtitle"><span·class="permalink"><a·href="#a78a9cbe01149fc6c866d6bafb4b994cd">&#9670;&nbsp;</a></span>Assignment_()·<span·class="overload">[1/4]</span></h2>
  
131 <div·class="memitem">131 <div·class="memitem">
132 <div·class="memproto">132 <div·class="memproto">
133 ······<table·class="memname">133 ······<table·class="memname">
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490 ··<td·class="mlabels-right">490 ··<td·class="mlabels-right">
491 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>491 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
492 ··</tr>492 ··</tr>
493 </table>493 </table>
494 </div><div·class="memdoc">494 </div><div·class="memdoc">
495 <p·>A·vector·with·bond·values.·0·is·single·bond,·1·is·double·bond,·2·is·tripple·bond·</p>495 <p·>A·vector·with·bond·values.·0·is·single·bond,·1·is·double·bond,·2·is·tripple·bond·</p>
  
496 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00808">808</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>496 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00808">808</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
497 </div>497 </div>
498 </div>498 </div>
499 <a·id="ae11b37c1ba66e8e9f0eb424db18f9871"·name="ae11b37c1ba66e8e9f0eb424db18f9871"></a>499 <a·id="ae11b37c1ba66e8e9f0eb424db18f9871"·name="ae11b37c1ba66e8e9f0eb424db18f9871"></a>
500 <h2·class="memtitle"><span·class="permalink"><a·href="#ae11b37c1ba66e8e9f0eb424db18f9871">&#9670;&nbsp;</a></span>penalty</h2>500 <h2·class="memtitle"><span·class="permalink"><a·href="#ae11b37c1ba66e8e9f0eb424db18f9871">&#9670;&nbsp;</a></span>penalty</h2>
  
501 <div·class="memitem">501 <div·class="memitem">
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507 ········<tr>507 ········<tr>
508 ··········<td·class="memname"><a·class="el"·href="../../d4/d24/a06742.html#aabd33cb309992fa0c8a2371a6b94f07e">Penalty</a>·BALL::FPTBondOrderStrategy::Assignment_::penalty</td>508 ··········<td·class="memname"><a·class="el"·href="../../d4/d24/a06742.html#aabd33cb309992fa0c8a2371a6b94f07e">Penalty</a>·BALL::FPTBondOrderStrategy::Assignment_::penalty</td>
509 ········</tr>509 ········</tr>
510 ······</table>510 ······</table>
511 </div><div·class="memdoc">511 </div><div·class="memdoc">
512 <p·>The·penalty·of·this·assignment·</p>512 <p·>The·penalty·of·this·assignment·</p>
  
513 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00802">802</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>513 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00802">802</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
514 </div>514 </div>
515 </div>515 </div>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_318e4e36585355a52a6b5535463b9898.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li><li·class="navelem"><a·class="el"·href="../../dir_44c71f2b1d1d8faff5c132b93515fa86.html">MODES</a></li>··</ul>
65 </div>65 </div>
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;QtCore/QPoint&gt;</code><br·/>
 76 <code>#include·&lt;QtCore/QSize&gt;</code><br·/>
 77 <code>#include·&lt;QtCore/QObject&gt;</code><br·/>
75 </div>78 </div>
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8 <title>BALL:·sphere3.h·File·Reference</title>8 <title>BALL:·connectedComponentsProcessor.h·File·Reference</title>
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59 ········name="MSearchResults"·id="MSearchResults">59 ········name="MSearchResults"·id="MSearchResults">
60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">sphere3.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">connectedComponentsProcessor.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;iostream&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../dd/de7/a01868_source.html">BALL/MATHS/plane3.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d4/d1e/a00497_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>76 <code>#include·&lt;boost/pending/disjoint_sets.hpp&gt;</code><br·/>
77 </div>77 </div>
78 <p><a·href="../../db/d09/a01838_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../db/d09/a01838_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">79 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>81 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de5/a04902.html">BALL::TSphere3&lt;·T·&gt;</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d8d/a06834.html">BALL::ConnectedComponentsProcessor</a></td></tr>
 83 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Computation·of·the·connected·components·of·the·molecular·graph.··<a·href="../../d2/d8d/a06834.html#details">More...</a><br·/></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
84 </table><table·class="memberdecls">85 </table><table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
86 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls"> 
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Storers</h2></td></tr> 
91 <tr·class="memitem:ga497273bca906925cafb2f54b06e192ea"><td·class="memItemLeft"·align="right"·valign="top">typedef·TSphere3&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga497273bca906925cafb2f54b06e192ea">BALL::Sphere3</a></td></tr> 
92 <tr·class="separator:ga497273bca906925cafb2f54b06e192ea"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 <tr·class="memitem:ga658cca7bdcf3610107c050091491d04b"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
94 <tr·class="memitem:ga658cca7bdcf3610107c050091491d04b"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga658cca7bdcf3610107c050091491d04b">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·TSphere3&lt;·T·&gt;·&amp;sphere)</td></tr> 
95 <tr·class="separator:ga658cca7bdcf3610107c050091491d04b"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
96 <tr·class="memitem:ga73c09b993f6a16c37c9031b8aecb9175"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
97 <tr·class="memitem:ga73c09b993f6a16c37c9031b8aecb9175"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga73c09b993f6a16c37c9031b8aecb9175">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·TSphere3&lt;·T·&gt;·&amp;sphere)</td></tr> 
98 <tr·class="separator:ga73c09b993f6a16c37c9031b8aecb9175"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
99 </table>90 </table>
100 </div><!--·contents·-->91 </div><!--·contents·-->
101 <!--·start·footer·part·-->92 <!--·start·footer·part·-->
102 <hr·class="footer"/><address·class="footer"><small>93 <hr·class="footer"/><address·class="footer"><small>
103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.494 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d0/d9c/a07307.html">List·of·all·members</a>··</div>70 <a·href="../../d0/d9c/a07307.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::SASTriangulator·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::SASTriangulator·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../db/d77/a00683_source.html">BALL/STRUCTURE/triangulatedSAS.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d1/dd5/a01742_source.html">BALL/STRUCTURE/triangulatedSAS.h</a>&gt;</code></p>
75 <table·class="memberdecls">75 <table·class="memberdecls">
76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
77 Public·Member·Functions</h2></td></tr>77 Public·Member·Functions</h2></td></tr>
78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>
79 <tr·class="memitem:a28b8fca7123bb98ada2a24356821e44d"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d09/a07310.html#a28b8fca7123bb98ada2a24356821e44d">SASTriangulator</a>·()</td></tr>79 <tr·class="memitem:a28b8fca7123bb98ada2a24356821e44d"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d09/a07310.html#a28b8fca7123bb98ada2a24356821e44d">SASTriangulator</a>·()</td></tr>
80 <tr·class="separator:a28b8fca7123bb98ada2a24356821e44d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a28b8fca7123bb98ada2a24356821e44d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:aadb17abe12628ae2a18d25cca49c87dd"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d09/a07310.html#aadb17abe12628ae2a18d25cca49c87dd">SASTriangulator</a>·(<a·class="el"·href="../../d0/d35/a07306.html">TriangulatedSAS</a>·*tsas)</td></tr>81 <tr·class="memitem:aadb17abe12628ae2a18d25cca49c87dd"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d09/a07310.html#aadb17abe12628ae2a18d25cca49c87dd">SASTriangulator</a>·(<a·class="el"·href="../../d0/d35/a07306.html">TriangulatedSAS</a>·*tsas)</td></tr>
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100 <tr·class="memitem:a65b41f6a9635fc553a3fc750d3946948"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d09/a07310.html#a65b41f6a9635fc553a3fc750d3946948">run</a>·()</td></tr>100 <tr·class="memitem:a65b41f6a9635fc553a3fc750d3946948"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d09/a07310.html#a65b41f6a9635fc553a3fc750d3946948">run</a>·()</td></tr>
101 <tr·class="separator:a65b41f6a9635fc553a3fc750d3946948"><td·class="memSeparator"·colspan="2">&#160;</td></tr>101 <tr·class="separator:a65b41f6a9635fc553a3fc750d3946948"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 </table>102 </table>
103 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>103 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
104 <div·class="textblock"><p·>Generic·<a·class="el"·href="../../db/d09/a07310.html">SASTriangulator</a>·Class.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>104 <div·class="textblock"><p·>Generic·<a·class="el"·href="../../db/d09/a07310.html">SASTriangulator</a>·Class.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
105 <dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>105 <dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>
  
106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d77/a00683_source.html#l00160">160</a>·of·file·<a·class="el"·href="../../db/d77/a00683_source.html">triangulatedSAS.h</a>.</p>106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dd5/a01742_source.html#l00160">160</a>·of·file·<a·class="el"·href="../../d1/dd5/a01742_source.html">triangulatedSAS.h</a>.</p>
107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
108 <a·id="a28b8fca7123bb98ada2a24356821e44d"·name="a28b8fca7123bb98ada2a24356821e44d"></a>108 <a·id="a28b8fca7123bb98ada2a24356821e44d"·name="a28b8fca7123bb98ada2a24356821e44d"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#a28b8fca7123bb98ada2a24356821e44d">&#9670;&nbsp;</a></span>SASTriangulator()·<span·class="overload">[1/2]</span></h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#a28b8fca7123bb98ada2a24356821e44d">&#9670;&nbsp;</a></span>SASTriangulator()·<span·class="overload">[1/2]</span></h2>
  
110 <div·class="memitem">110 <div·class="memitem">
111 <div·class="memproto">111 <div·class="memproto">
112 ······<table·class="memname">112 ······<table·class="memname">
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209 ··</td>209 ··</td>
210 ··<td·class="mlabels-right">210 ··<td·class="mlabels-right">
211 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>211 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
212 ··</tr>212 ··</tr>
213 </table>213 </table>
214 </div><div·class="memdoc">214 </div><div·class="memdoc">
  
215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d77/a00683_source.html#l00244">244</a>·of·file·<a·class="el"·href="../../db/d77/a00683_source.html">triangulatedSAS.h</a>.</p>215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dd5/a01742_source.html#l00244">244</a>·of·file·<a·class="el"·href="../../d1/dd5/a01742_source.html">triangulatedSAS.h</a>.</p>
  
216 </div>216 </div>
217 </div>217 </div>
218 <a·id="a5452a265f96391ba01a01866ba92aa1a"·name="a5452a265f96391ba01a01866ba92aa1a"></a>218 <a·id="a5452a265f96391ba01a01866ba92aa1a"·name="a5452a265f96391ba01a01866ba92aa1a"></a>
219 <h2·class="memtitle"><span·class="permalink"><a·href="#a5452a265f96391ba01a01866ba92aa1a">&#9670;&nbsp;</a></span>sqrt_density_</h2>219 <h2·class="memtitle"><span·class="permalink"><a·href="#a5452a265f96391ba01a01866ba92aa1a">&#9670;&nbsp;</a></span>sqrt_density_</h2>
  
220 <div·class="memitem">220 <div·class="memitem">
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233 ··</td>233 ··</td>
234 ··<td·class="mlabels-right">234 ··<td·class="mlabels-right">
235 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>235 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
236 ··</tr>236 ··</tr>
237 </table>237 </table>
238 </div><div·class="memdoc">238 </div><div·class="memdoc">
  
239 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d77/a00683_source.html#l00242">242</a>·of·file·<a·class="el"·href="../../db/d77/a00683_source.html">triangulatedSAS.h</a>.</p>239 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dd5/a01742_source.html#l00242">242</a>·of·file·<a·class="el"·href="../../d1/dd5/a01742_source.html">triangulatedSAS.h</a>.</p>
  
240 </div>240 </div>
241 </div>241 </div>
242 <a·id="a31716e3b49cd6185582e2ebdc4d77007"·name="a31716e3b49cd6185582e2ebdc4d77007"></a>242 <a·id="a31716e3b49cd6185582e2ebdc4d77007"·name="a31716e3b49cd6185582e2ebdc4d77007"></a>
243 <h2·class="memtitle"><span·class="permalink"><a·href="#a31716e3b49cd6185582e2ebdc4d77007">&#9670;&nbsp;</a></span>template_spheres_</h2>243 <h2·class="memtitle"><span·class="permalink"><a·href="#a31716e3b49cd6185582e2ebdc4d77007">&#9670;&nbsp;</a></span>template_spheres_</h2>
  
244 <div·class="memitem">244 <div·class="memitem">
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257 ··</td>257 ··</td>
258 ··<td·class="mlabels-right">258 ··<td·class="mlabels-right">
259 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>259 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
260 ··</tr>260 ··</tr>
261 </table>261 </table>
262 </div><div·class="memdoc">262 </div><div·class="memdoc">
  
263 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d77/a00683_source.html#l00246">246</a>·of·file·<a·class="el"·href="../../db/d77/a00683_source.html">triangulatedSAS.h</a>.</p>263 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dd5/a01742_source.html#l00246">246</a>·of·file·<a·class="el"·href="../../d1/dd5/a01742_source.html">triangulatedSAS.h</a>.</p>
  
264 </div>264 </div>
265 </div>265 </div>
266 <a·id="a14e7a67c674ad4c4bfd89d121a717a65"·name="a14e7a67c674ad4c4bfd89d121a717a65"></a>266 <a·id="a14e7a67c674ad4c4bfd89d121a717a65"·name="a14e7a67c674ad4c4bfd89d121a717a65"></a>
267 <h2·class="memtitle"><span·class="permalink"><a·href="#a14e7a67c674ad4c4bfd89d121a717a65">&#9670;&nbsp;</a></span>tsas_</h2>267 <h2·class="memtitle"><span·class="permalink"><a·href="#a14e7a67c674ad4c4bfd89d121a717a65">&#9670;&nbsp;</a></span>tsas_</h2>
  
268 <div·class="memitem">268 <div·class="memitem">
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281 ··</td>281 ··</td>
282 ··<td·class="mlabels-right">282 ··<td·class="mlabels-right">
283 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>283 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
284 ··</tr>284 ··</tr>
285 </table>285 </table>
286 </div><div·class="memdoc">286 </div><div·class="memdoc">
  
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72 ··<div·class="headertitle"><div·class="title">BALL::TWriteLocker&lt;·WriteLockerType,·ReadWriteLockType·&gt;·Class·Template·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TWriteLocker&lt;·WriteLockerType,·ReadWriteLockType·&gt;·Class·Template·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../de/db5/a01730_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::TWriteLocker&lt;·WriteLockerType,·ReadWriteLockType·&gt;:</div>77 Inheritance·diagram·for·BALL::TWriteLocker&lt;·WriteLockerType,·ReadWriteLockType·&gt;:</div>
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93 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·<a·class="el"·href="../../d6/d47/a20034.html">WriteLockerType</a>,·class·<a·class="el"·href="../../d2/db3/a20030.html">ReadWriteLockType</a>&gt;<br·/>93 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·<a·class="el"·href="../../d6/d47/a20034.html">WriteLockerType</a>,·class·<a·class="el"·href="../../d2/db3/a20030.html">ReadWriteLockType</a>&gt;<br·/>
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126 </div>126 </div>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#typedef-members">Typedefs</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">residueIterator.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">kernelModel.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d9c/a00413_source.html">BALL/KERNEL/iterator.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d7e/a00434_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d4/d27/a00392_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/predicate.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d7/dd7/a20338_source.html">BALL/QSAR/kernel.h</a>&gt;</code><br·/>
77 </div>77 </div>
78 <p><a·href="../../db/d10/a00350_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../db/d10/a00350_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">79 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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92 <tr·class="memitem:a563d0f71c41a2888b09033e1d5572b9a"><td·class="memItemLeft"·align="right"·valign="top">typedef·BidirectionalIterator&lt;·Composite,·Residue,·Composite::CompositeIterator,·ResidueIteratorTraits·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a563d0f71c41a2888b09033e1d5572b9a">BALL::ResidueIterator</a></td></tr> 
93 <tr·class="separator:a563d0f71c41a2888b09033e1d5572b9a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 <tr·class="memitem:ae442fd73b69546db2a3114bbb55cdafe"><td·class="memItemLeft"·align="right"·valign="top">typedef·ConstBidirectionalIterator&lt;·Composite,·Residue,·Composite::CompositeIterator,·ResidueIteratorTraits·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ae442fd73b69546db2a3114bbb55cdafe">BALL::ResidueConstIterator</a></td></tr> 
95 <tr·class="separator:ae442fd73b69546db2a3114bbb55cdafe"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
96 <tr·class="memitem:a99b29b23f47acd8db15af4d120cde174"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·ResidueIterator·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a99b29b23f47acd8db15af4d120cde174">BALL::ResidueReverseIterator</a></td></tr> 
97 <tr·class="separator:a99b29b23f47acd8db15af4d120cde174"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 <tr·class="memitem:a4f4b8a35d2d5a1d91c14a75aac91e4fe"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·ResidueConstIterator·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a4f4b8a35d2d5a1d91c14a75aac91e4fe">BALL::ResidueConstReverseIterator</a></td></tr> 
99 <tr·class="separator:a4f4b8a35d2d5a1d91c14a75aac91e4fe"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../d6/db7/a03903.html">List·of·all·members</a>··</div>71 <a·href="../../d6/db7/a03903.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::GAMESSLogFile::State·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::GAMESSLogFile::State·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d81/a00110_source.html">BALL/FORMAT/GAMESSLogFile.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/ddc/a00917_source.html">BALL/FORMAT/GAMESSLogFile.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:ab2a9f28566b272ed84edca324586332f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d9/d7a/a03902.html">GAMESSLogFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d10/a03906.html#ab2a9f28566b272ed84edca324586332f">current_parser</a></td></tr>79 <tr·class="memitem:ab2a9f28566b272ed84edca324586332f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d9/d7a/a03902.html">GAMESSLogFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d10/a03906.html#ab2a9f28566b272ed84edca324586332f">current_parser</a></td></tr>
80 <tr·class="separator:ab2a9f28566b272ed84edca324586332f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:ab2a9f28566b272ed84edca324586332f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 </table>81 </table>
82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock"><p·><a·class="el"·href="../../db/d10/a03906.html">State</a>·of·the·parser·</p>83 <div·class="textblock"><p·><a·class="el"·href="../../db/d10/a03906.html">State</a>·of·the·parser·</p>
  
84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d81/a00110_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d4/d81/a00110_source.html">GAMESSLogFile.h</a>.</p>84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/ddc/a00917_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d4/ddc/a00917_source.html">GAMESSLogFile.h</a>.</p>
85 </div><h2·class="groupheader">Member·Data·Documentation</h2>85 </div><h2·class="groupheader">Member·Data·Documentation</h2>
86 <a·id="ab2a9f28566b272ed84edca324586332f"·name="ab2a9f28566b272ed84edca324586332f"></a>86 <a·id="ab2a9f28566b272ed84edca324586332f"·name="ab2a9f28566b272ed84edca324586332f"></a>
87 <h2·class="memtitle"><span·class="permalink"><a·href="#ab2a9f28566b272ed84edca324586332f">&#9670;&nbsp;</a></span>current_parser</h2>87 <h2·class="memtitle"><span·class="permalink"><a·href="#ab2a9f28566b272ed84edca324586332f">&#9670;&nbsp;</a></span>current_parser</h2>
  
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91 ········<tr>91 ········<tr>
92 ··········<td·class="memname"><a·class="el"·href="../../d9/d7a/a03902.html">GAMESSLogFile</a>*·BALL::GAMESSLogFile::State::current_parser</td>92 ··········<td·class="memname"><a·class="el"·href="../../d9/d7a/a03902.html">GAMESSLogFile</a>*·BALL::GAMESSLogFile::State::current_parser</td>
93 ········</tr>93 ········</tr>
94 ······</table>94 ······</table>
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97 </div>97 </div>
98 </div>98 </div>
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../df/d3b/a07507.html">List·of·all·members</a>··</div>70 <a·href="../../df/d3b/a07507.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Vertex·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../d0/d9d/a02202.html">Helper·Base·Classes·for·derived·GeometricObject·'s</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Vertex·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../d0/d9d/a02202.html">Helper·Base·Classes·for·derived·GeometricObject·'s</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../de/d3c/a01490_source.html">BALL/VIEW/DATATYPE/vertex1.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d0/d85/a01352_source.html">BALL/VIEW/DATATYPE/vertex1.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::Vertex:</div>76 Inheritance·diagram·for·BALL::VIEW::Vertex:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../db/d12/a07510.png"·usemap="#BALL::VIEW::Vertex_map"·alt=""/>79 ··<img·src="../../db/d12/a07510.png"·usemap="#BALL::VIEW::Vertex_map"·alt=""/>
80 ··<map·id="BALL::VIEW::Vertex_map"·name="BALL::VIEW::Vertex_map">80 ··<map·id="BALL::VIEW::Vertex_map"·name="BALL::VIEW::Vertex_map">
81 <area·href="../../d2/d8c/a08170.html"·alt="BALL::VIEW::Label"·shape="rect"·coords="0,56,123,80"/>81 <area·href="../../d2/d8c/a08170.html"·alt="BALL::VIEW::Label"·shape="rect"·coords="0,56,123,80"/>
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132 <tr·class="memitem:a9fd503acebd44adf420c2893b2bcbc51"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d12/a07510.html#a9fd503acebd44adf420c2893b2bcbc51">dump</a>·(std::ostream·&amp;s=std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0)·const</td></tr>132 <tr·class="memitem:a9fd503acebd44adf420c2893b2bcbc51"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d12/a07510.html#a9fd503acebd44adf420c2893b2bcbc51">dump</a>·(std::ostream·&amp;s=std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0)·const</td></tr>
133 <tr·class="separator:a9fd503acebd44adf420c2893b2bcbc51"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a9fd503acebd44adf420c2893b2bcbc51"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·><a·class="el"·href="../../db/d12/a07510.html">Vertex</a>·is·a·base·class·for·all·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·'s·that·have·a·single·vertex.·It·provides·the·derived·class·with·methods·for·accessing·that·vertex.·Further·there·is·the·possibility·to·give·an·address·to·a·vector·Vector3·as·vertex.·So·if·the·value·of·that·given·vector·changes·the·value·of·this·vertex·changes·as·well.·To·avoid·segmentation·faults·this·vector·address·must·be·valid·as·long·as·this·vertex·exists.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>136 <div·class="textblock"><p·><a·class="el"·href="../../db/d12/a07510.html">Vertex</a>·is·a·base·class·for·all·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·'s·that·have·a·single·vertex.·It·provides·the·derived·class·with·methods·for·accessing·that·vertex.·Further·there·is·the·possibility·to·give·an·address·to·a·vector·Vector3·as·vertex.·So·if·the·value·of·that·given·vector·changes·the·value·of·this·vertex·changes·as·well.·To·avoid·segmentation·faults·this·vector·address·must·be·valid·as·long·as·this·vertex·exists.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d3c/a01490_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../de/d3c/a01490_source.html">vertex1.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d85/a01352_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d0/d85/a01352_source.html">vertex1.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="acac82c914c3cfc72e4201caed5155a9e"·name="acac82c914c3cfc72e4201caed5155a9e"></a>139 <a·id="acac82c914c3cfc72e4201caed5155a9e"·name="acac82c914c3cfc72e4201caed5155a9e"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#acac82c914c3cfc72e4201caed5155a9e">&#9670;&nbsp;</a></span>Vertex()·<span·class="overload">[1/2]</span></h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#acac82c914c3cfc72e4201caed5155a9e">&#9670;&nbsp;</a></span>Vertex()·<span·class="overload">[1/2]</span></h2>
  
141 <div·class="memitem">141 <div·class="memitem">
142 <div·class="memproto">142 <div·class="memproto">
143 ······<table·class="memname">143 ······<table·class="memname">
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8 <title>BALL:·tilingRenderer.h·File·Reference</title>8 <title>BALL:·VIEWPlugin.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li><li·class="navelem"><a·class="el"·href="../../dir_63800ef38c29322dc72b2a63f41a2424.html">RENDERERS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_fdd4deb6e7660eceda5e61c32b248f16.html">PLUGIN</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">tilingRenderer.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">VIEWPlugin.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/db6/a01172_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/d65/a01145_source.html">BALL/VIEW/RENDERING/renderTarget.h</a>&gt;</code><br·/>75 <code>#include·&lt;QtCore/QString&gt;</code><br·/>
 76 <code>#include·&lt;QtCore/QtPlugin&gt;</code><br·/>
 77 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>
76 </div>78 </div>
77 <p><a·href="../../db/d17/a01148_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../db/d17/a01148_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">80 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>82 Classes</h2></td></tr>
 83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d80/a08150.html">BALL::VIEW::ConfigDialog</a></td></tr>
 84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dfc/a08314.html">BALL::VIEW::TilingRenderer</a></td></tr>85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd5/a08154.html">BALL::VIEW::VIEWPlugin</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table><table·class="memberdecls">87 </table><table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
85 Namespaces</h2></td></tr>89 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>92 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_0f44562fa0092558829ef2f34049a706.html">MODELS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">labelModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">modelSettingsDialog.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d43/a01193_source.html">BALL/VIEW/MODELS/modelProcessor.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../dc/d47/a01487_source.html">BALL/VIEW/MODELS/modelProcessor.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d21/a01484_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../dd/d57/a00701_source.html">BALL/STRUCTURE/geometricProperties.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;BALL/VIEW/UIC/ui_modelSettingsDialog.h&gt;</code><br·/>
 79 <code>#include·&lt;QtWidgets/QCheckBox&gt;</code><br·/>
77 <code>#include·&lt;QtGui/QFont&gt;</code><br·/>80 <code>#include·&lt;QtWidgets/QLabel&gt;</code><br·/>
78 </div>81 </div>
79 <p><a·href="../../db/d1c/a01229_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../db/d1c/a01229_source.html">Go·to·the·source·code·of·this·file.</a></p>
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87 Namespaces</h2></td></tr>90 Namespaces</h2></td></tr>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_f03d71dde2003b483dd9e4436a4b37e3.html">MMFF94</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">MMFF94Processors.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">trajectoryFileFactory.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d88/a00962_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/d7d/a01880_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d9/d17/a01937_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d9/dd4/a00776_source.html">BALL/STRUCTURE/atomTyper.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;vector&gt;</code><br·/> 
80 </div>75 </div>
81 <p><a·href="../../db/d20/a00980_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../db/d20/a00980_source.html">Go·to·the·source·code·of·this·file.</a></p>
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83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d63/a05306.html">BALL::MMFF94AtomTyper</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d1f/a04450.html">BALL::TrajectoryFileFactory</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dfd/a05310.html">BALL::MMFF94AtomTyper::AromaticType</a></td></tr> 
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dc8/a05314.html">BALL::MMFF94ChargeProcessor</a></td></tr> 
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
93 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../de/ddd/a05031.html">List·of·all·members</a>··</div>70 <a·href="../../de/ddd/a05031.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::CharmmNonBonded·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d1e/a02171.html">CHARMM·Force·Field.</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::CharmmNonBonded·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d1e/a02171.html">CHARMM·Force·Field.</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d3/d13/a00836_source.html">BALL/MOLMEC/CHARMM/charmmNonBonded.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d6/d2d/a00047_source.html">BALL/MOLMEC/CHARMM/charmmNonBonded.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::CharmmNonBonded:</div>76 Inheritance·diagram·for·BALL::CharmmNonBonded:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../db/d20/a05034.png"·usemap="#BALL::CharmmNonBonded_map"·alt=""/>79 ··<img·src="../../db/d20/a05034.png"·usemap="#BALL::CharmmNonBonded_map"·alt=""/>
80 ··<map·id="BALL::CharmmNonBonded_map"·name="BALL::CharmmNonBonded_map">80 ··<map·id="BALL::CharmmNonBonded_map"·name="BALL::CharmmNonBonded_map">
81 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>81 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>
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250 </table>250 </table>
251 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>251 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
252 <div·class="textblock"><p·>Charmm·NonBonded·component.·This·force·field·component·implements·the·non-bonded·interactions·in·the·CHARMM·force·field:·van-der-Waals·interaction,·electrostatics,·and·solvation·(in·EEF1·only).·</p>252 <div·class="textblock"><p·>Charmm·NonBonded·component.·This·force·field·component·implements·the·non-bonded·interactions·in·the·CHARMM·force·field:·van-der-Waals·interaction,·electrostatics,·and·solvation·(in·EEF1·only).·</p>
  
253 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d13/a00836_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d3/d13/a00836_source.html">charmmNonBonded.h</a>.</p>253 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d2d/a00047_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d6/d2d/a00047_source.html">charmmNonBonded.h</a>.</p>
254 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>254 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
255 <a·id="abade7707a9a40033d3ddcae0a5708652"·name="abade7707a9a40033d3ddcae0a5708652"></a>255 <a·id="abade7707a9a40033d3ddcae0a5708652"·name="abade7707a9a40033d3ddcae0a5708652"></a>
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651 </div>651 </div>
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692 ··</td>692 ··</td>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_318e4e36585355a52a6b5535463b9898.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li><li·class="navelem"><a·class="el"·href="../../dir_44c71f2b1d1d8faff5c132b93515fa86.html">MODES</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">version.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">interactionModeManager.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;BALL/CONFIG/config.h&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d6f/a01445_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;list&gt;</code><br·/>
 76 <code>#include·&lt;QtCore/QObject&gt;</code><br·/>
77 </div>77 </div>
78 <p><a·href="../../db/d23/a01025_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../db/d23/a01025_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">79 <table·class="memberdecls">
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86 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 89 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d2/dae/a08095.html">List·of·all·members</a>··</div>71 <a·href="../../d2/dae/a08095.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::AtomChargeColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::AtomChargeColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/d35/a01184_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::AtomChargeColorProcessor:</div>77 Inheritance·diagram·for·BALL::VIEW::AtomChargeColorProcessor:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../db/d24/a08098.png"·usemap="#BALL::VIEW::AtomChargeColorProcessor_map"·alt=""/>80 ··<img·src="../../db/d24/a08098.png"·usemap="#BALL::VIEW::AtomChargeColorProcessor_map"·alt=""/>
81 ··<map·id="BALL::VIEW::AtomChargeColorProcessor_map"·name="BALL::VIEW::AtomChargeColorProcessor_map">81 ··<map·id="BALL::VIEW::AtomChargeColorProcessor_map"·name="BALL::VIEW::AtomChargeColorProcessor_map">
82 <area·href="../../d3/d76/a08046.html"·alt="BALL::VIEW::InterpolateColorProcessor"·shape="rect"·coords="0,168,364,192"/>82 <area·href="../../d3/d76/a08046.html"·alt="BALL::VIEW::InterpolateColorProcessor"·shape="rect"·coords="0,168,364,192"/>
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272 </table>272 </table>
273 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>273 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
274 <div·class="textblock"><p·><a·class="el"·href="../../db/d24/a08098.html">AtomChargeColorProcessor</a>·class.·The·class·<a·class="el"·href="../../db/d24/a08098.html">AtomChargeColorProcessor</a>·is·derived·from·the·class·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor</a>.·There·can·be·set·three·colors·for·the·charge·boundaries.·A·color·for·a·negative·charge·(charge·=·-1),·a·color·for·the·neutral·charge·(charge·=·0)·and·a·color·for·the·positive·charge·(charge·=·+1).·If·a·charge·lies·between·these·boundaries·the·resulting·color·will·be·interpolated·according·to·the·charge.·If·a·charge·is·greater·than·+1·or·lower·than·-1·it·will·be·set·to·+1·or·-1.·</p>274 <div·class="textblock"><p·><a·class="el"·href="../../db/d24/a08098.html">AtomChargeColorProcessor</a>·class.·The·class·<a·class="el"·href="../../db/d24/a08098.html">AtomChargeColorProcessor</a>·is·derived·from·the·class·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor</a>.·There·can·be·set·three·colors·for·the·charge·boundaries.·A·color·for·a·negative·charge·(charge·=·-1),·a·color·for·the·neutral·charge·(charge·=·0)·and·a·color·for·the·positive·charge·(charge·=·+1).·If·a·charge·lies·between·these·boundaries·the·resulting·color·will·be·interpolated·according·to·the·charge.·If·a·charge·is·greater·than·+1·or·lower·than·-1·it·will·be·set·to·+1·or·-1.·</p>
  
275 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00264">264</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>275 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00264">264</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
276 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>276 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
277 <a·id="a8cb240fdfcaef8b5f11a00892da5f631"·name="a8cb240fdfcaef8b5f11a00892da5f631"></a>277 <a·id="a8cb240fdfcaef8b5f11a00892da5f631"·name="a8cb240fdfcaef8b5f11a00892da5f631"></a>
278 <h2·class="memtitle"><span·class="permalink"><a·href="#a8cb240fdfcaef8b5f11a00892da5f631">&#9670;&nbsp;</a></span>AtomChargeColorProcessor()·<span·class="overload">[1/2]</span></h2>278 <h2·class="memtitle"><span·class="permalink"><a·href="#a8cb240fdfcaef8b5f11a00892da5f631">&#9670;&nbsp;</a></span>AtomChargeColorProcessor()·<span·class="overload">[1/2]</span></h2>
  
279 <div·class="memitem">279 <div·class="memitem">
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../dc/d83/a05451.html">List·of·all·members</a>··</div>70 <a·href="../../dc/d83/a05451.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::AnisotropyShiftProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d61/a02179.html">Nuclear·Magnetic·Resonance·Spectroscopy</a>·&raquo;·<a·class="el"·href="../../d5/db4/a02182.html">Shift·modules</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::AnisotropyShiftProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d61/a02179.html">Nuclear·Magnetic·Resonance·Spectroscopy</a>·&raquo;·<a·class="el"·href="../../d5/db4/a02182.html">Shift·modules</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d0/dc4/a00443_source.html">BALL/NMR/anisotropyShiftProcessor.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d3/da1/a01613_source.html">BALL/NMR/anisotropyShiftProcessor.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::AnisotropyShiftProcessor:</div>76 Inheritance·diagram·for·BALL::AnisotropyShiftProcessor:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../db/d2b/a05454.png"·usemap="#BALL::AnisotropyShiftProcessor_map"·alt=""/>79 ··<img·src="../../db/d2b/a05454.png"·usemap="#BALL::AnisotropyShiftProcessor_map"·alt=""/>
80 ··<map·id="BALL::AnisotropyShiftProcessor_map"·name="BALL::AnisotropyShiftProcessor_map">80 ··<map·id="BALL::AnisotropyShiftProcessor_map"·name="BALL::AnisotropyShiftProcessor_map">
81 <area·href="../../df/de9/a05538.html"·alt="BALL::ShiftModule"·shape="rect"·coords="0,112,316,136"/>81 <area·href="../../df/de9/a05538.html"·alt="BALL::ShiftModule"·shape="rect"·coords="0,112,316,136"/>
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177 <tr·class="separator:a8cc2dbd8f03470ba9e692e2314e1ed39·inherit·pro_attribs_a05538"><td·class="memSeparator"·colspan="2">&#160;</td></tr>177 <tr·class="separator:a8cc2dbd8f03470ba9e692e2314e1ed39·inherit·pro_attribs_a05538"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
178 <tr·class="memitem:ac11c2bfe6d81e9c47aa2400f58750bd2·inherit·pro_attribs_a05538"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a05538.html#ac11c2bfe6d81e9c47aa2400f58750bd2">valid_</a></td></tr>178 <tr·class="memitem:ac11c2bfe6d81e9c47aa2400f58750bd2·inherit·pro_attribs_a05538"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a05538.html#ac11c2bfe6d81e9c47aa2400f58750bd2">valid_</a></td></tr>
179 <tr·class="separator:ac11c2bfe6d81e9c47aa2400f58750bd2·inherit·pro_attribs_a05538"><td·class="memSeparator"·colspan="2">&#160;</td></tr>179 <tr·class="separator:ac11c2bfe6d81e9c47aa2400f58750bd2·inherit·pro_attribs_a05538"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
180 </table>180 </table>
181 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>181 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
182 <div·class="textblock"><p·>Shift·assignment·processor·implementing·Anisotropy.·&lt;&gt;·</p>182 <div·class="textblock"><p·>Shift·assignment·processor·implementing·Anisotropy.·&lt;&gt;·</p>
  
183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc4/a00443_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d0/dc4/a00443_source.html">anisotropyShiftProcessor.h</a>.</p>183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da1/a01613_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d3/da1/a01613_source.html">anisotropyShiftProcessor.h</a>.</p>
184 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>184 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
185 <a·id="a70930d6fb007be42e227887c9c41699a"·name="a70930d6fb007be42e227887c9c41699a"></a>185 <a·id="a70930d6fb007be42e227887c9c41699a"·name="a70930d6fb007be42e227887c9c41699a"></a>
186 <h2·class="memtitle"><span·class="permalink"><a·href="#a70930d6fb007be42e227887c9c41699a">&#9670;&nbsp;</a></span>AnisotropyShiftProcessor()·<span·class="overload">[1/2]</span></h2>186 <h2·class="memtitle"><span·class="permalink"><a·href="#a70930d6fb007be42e227887c9c41699a">&#9670;&nbsp;</a></span>AnisotropyShiftProcessor()·<span·class="overload">[1/2]</span></h2>
  
187 <div·class="memitem">187 <div·class="memitem">
188 <div·class="memproto">188 <div·class="memproto">
189 ······<table·class="memname">189 ······<table·class="memname">
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373 ··</td>373 ··</td>
374 ··<td·class="mlabels-right">374 ··<td·class="mlabels-right">
375 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>375 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
376 ··</tr>376 ··</tr>
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378 </div><div·class="memdoc">378 </div><div·class="memdoc">
  
379 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc4/a00443_source.html#l00150">150</a>·of·file·<a·class="el"·href="../../d0/dc4/a00443_source.html">anisotropyShiftProcessor.h</a>.</p>379 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da1/a01613_source.html#l00150">150</a>·of·file·<a·class="el"·href="../../d3/da1/a01613_source.html">anisotropyShiftProcessor.h</a>.</p>
  
380 </div>380 </div>
381 </div>381 </div>
382 <a·id="a3d28001df25bdcfb76b74a8ba81f705b"·name="a3d28001df25bdcfb76b74a8ba81f705b"></a>382 <a·id="a3d28001df25bdcfb76b74a8ba81f705b"·name="a3d28001df25bdcfb76b74a8ba81f705b"></a>
383 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d28001df25bdcfb76b74a8ba81f705b">&#9670;&nbsp;</a></span>eff_list_2_</h2>383 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d28001df25bdcfb76b74a8ba81f705b">&#9670;&nbsp;</a></span>eff_list_2_</h2>
  
384 <div·class="memitem">384 <div·class="memitem">
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397 ··</td>397 ··</td>
398 ··<td·class="mlabels-right">398 ··<td·class="mlabels-right">
399 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>399 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
400 ··</tr>400 ··</tr>
401 </table>401 </table>
402 </div><div·class="memdoc">402 </div><div·class="memdoc">
  
403 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc4/a00443_source.html#l00151">151</a>·of·file·<a·class="el"·href="../../d0/dc4/a00443_source.html">anisotropyShiftProcessor.h</a>.</p>403 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da1/a01613_source.html#l00151">151</a>·of·file·<a·class="el"·href="../../d3/da1/a01613_source.html">anisotropyShiftProcessor.h</a>.</p>
  
404 </div>404 </div>
405 </div>405 </div>
406 <a·id="a840c2ea665b62b826ecedf58d010c801"·name="a840c2ea665b62b826ecedf58d010c801"></a>406 <a·id="a840c2ea665b62b826ecedf58d010c801"·name="a840c2ea665b62b826ecedf58d010c801"></a>
407 <h2·class="memtitle"><span·class="permalink"><a·href="#a840c2ea665b62b826ecedf58d010c801">&#9670;&nbsp;</a></span>ignore_other_chain_</h2>407 <h2·class="memtitle"><span·class="permalink"><a·href="#a840c2ea665b62b826ecedf58d010c801">&#9670;&nbsp;</a></span>ignore_other_chain_</h2>
  
408 <div·class="memitem">408 <div·class="memitem">
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421 ··</td>421 ··</td>
422 ··<td·class="mlabels-right">422 ··<td·class="mlabels-right">
423 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>423 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
424 ··</tr>424 ··</tr>
425 </table>425 </table>
426 </div><div·class="memdoc">426 </div><div·class="memdoc">
  
427 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc4/a00443_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../d0/dc4/a00443_source.html">anisotropyShiftProcessor.h</a>.</p>427 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da1/a01613_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../d3/da1/a01613_source.html">anisotropyShiftProcessor.h</a>.</p>
  
428 </div>428 </div>
429 </div>429 </div>
430 <a·id="aa1e274a2aa04af460442843fd887a254"·name="aa1e274a2aa04af460442843fd887a254"></a>430 <a·id="aa1e274a2aa04af460442843fd887a254"·name="aa1e274a2aa04af460442843fd887a254"></a>
431 <h2·class="memtitle"><span·class="permalink"><a·href="#aa1e274a2aa04af460442843fd887a254">&#9670;&nbsp;</a></span>PROPERTY__ANISOTROPY_SHIFT</h2>431 <h2·class="memtitle"><span·class="permalink"><a·href="#aa1e274a2aa04af460442843fd887a254">&#9670;&nbsp;</a></span>PROPERTY__ANISOTROPY_SHIFT</h2>
  
432 <div·class="memitem">432 <div·class="memitem">
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446 ··<td·class="mlabels-right">446 ··<td·class="mlabels-right">
447 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>447 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
448 ··</tr>448 ··</tr>
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450 </div><div·class="memdoc">450 </div><div·class="memdoc">
451 <p·>A·symbolic·name·for·the·electric·field·contribution·to·the·chemical·shift·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../df/de9/a05538.html#aac00de78f850f08f81f0dfc97283387d">ShiftModule::PROPERTY__SHIFT</a>·</dd></dl>451 <p·>A·symbolic·name·for·the·electric·field·contribution·to·the·chemical·shift·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../df/de9/a05538.html#aac00de78f850f08f81f0dfc97283387d">ShiftModule::PROPERTY__SHIFT</a>·</dd></dl>
  
452 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc4/a00443_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d0/dc4/a00443_source.html">anisotropyShiftProcessor.h</a>.</p>452 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da1/a01613_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d3/da1/a01613_source.html">anisotropyShiftProcessor.h</a>.</p>
  
453 </div>453 </div>
454 </div>454 </div>
455 <a·id="a02cc28bbc1174d2ff3c65f9506b319ad"·name="a02cc28bbc1174d2ff3c65f9506b319ad"></a>455 <a·id="a02cc28bbc1174d2ff3c65f9506b319ad"·name="a02cc28bbc1174d2ff3c65f9506b319ad"></a>
456 <h2·class="memtitle"><span·class="permalink"><a·href="#a02cc28bbc1174d2ff3c65f9506b319ad">&#9670;&nbsp;</a></span>proton_list_</h2>456 <h2·class="memtitle"><span·class="permalink"><a·href="#a02cc28bbc1174d2ff3c65f9506b319ad">&#9670;&nbsp;</a></span>proton_list_</h2>
  
457 <div·class="memitem">457 <div·class="memitem">
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470 ··</td>470 ··</td>
471 ··<td·class="mlabels-right">471 ··<td·class="mlabels-right">
472 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>472 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
473 ··</tr>473 ··</tr>
474 </table>474 </table>
475 </div><div·class="memdoc">475 </div><div·class="memdoc">
  
476 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc4/a00443_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../d0/dc4/a00443_source.html">anisotropyShiftProcessor.h</a>.</p>476 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da1/a01613_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../d3/da1/a01613_source.html">anisotropyShiftProcessor.h</a>.</p>
  
477 </div>477 </div>
478 </div>478 </div>
479 </div><!--·contents·-->479 </div><!--·contents·-->
480 <!--·start·footer·part·-->480 <!--·start·footer·part·-->
481 <hr·class="footer"/><address·class="footer"><small>481 <hr·class="footer"/><address·class="footer"><small>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d1/d82/a05027.html">List·of·all·members</a>··</div>70 <a·href="../../d1/d82/a05027.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::CharmmImproperTorsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d1e/a02171.html">CHARMM·Force·Field.</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::CharmmImproperTorsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d1e/a02171.html">CHARMM·Force·Field.</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d9/daf/a00830_source.html">BALL/MOLMEC/CHARMM/charmmImproperTorsion.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d5/df9/a00044_source.html">BALL/MOLMEC/CHARMM/charmmImproperTorsion.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::CharmmImproperTorsion:</div>76 Inheritance·diagram·for·BALL::CharmmImproperTorsion:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../db/d35/a05030.png"·usemap="#BALL::CharmmImproperTorsion_map"·alt=""/>79 ··<img·src="../../db/d35/a05030.png"·usemap="#BALL::CharmmImproperTorsion_map"·alt=""/>
80 ··<map·id="BALL::CharmmImproperTorsion_map"·name="BALL::CharmmImproperTorsion_map">80 ··<map·id="BALL::CharmmImproperTorsion_map"·name="BALL::CharmmImproperTorsion_map">
81 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,187,80"/>81 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,187,80"/>
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223 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>223 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
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225 </table>225 </table>
226 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>226 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
227 <div·class="textblock"><p·>Charmm·improper·torsion·component.·The·CHARMM·force·field·employs·a·harmonic·out-of-plane·potential·for·improper·torsions.·An·imporper·torsion·is·defined·for·four·atoms·<em>·A·</em>,·<em>·B·</em>,·<em>·C·</em>,·and·<em>·D·</em>·where·<em>·A·</em>·is·the·central·atom·<em>·B·</em>,·<em>·C·</em>,·and·<em>·D·</em>·are·bound·to.·</p><dl·class="section·user"><dt></dt><dd>The·out-of-plane-angle·<b>·phi·</b>·is·defined·as·the·angle·between·the·planes·defined·by·<em>·ABC·</em>·and·<em>·BCD·</em>.·The·improper·torsion·energy·$E_{imp}$·is·then·defined·as·$·E_{imp}·=·k·(\theta·-·\theta_0)^2·$·where·$k$·and·$\theta_0$·are·constants·read·from·the·parameter·section·and·depend·on·the·atom·types·of·<em>·A·</em>,·<em>·B·</em>,·<em>·C·</em>,·and·<em>·D·</em>.·</dd></dl>227 <div·class="textblock"><p·>Charmm·improper·torsion·component.·The·CHARMM·force·field·employs·a·harmonic·out-of-plane·potential·for·improper·torsions.·An·imporper·torsion·is·defined·for·four·atoms·<em>·A·</em>,·<em>·B·</em>,·<em>·C·</em>,·and·<em>·D·</em>·where·<em>·A·</em>·is·the·central·atom·<em>·B·</em>,·<em>·C·</em>,·and·<em>·D·</em>·are·bound·to.·</p><dl·class="section·user"><dt></dt><dd>The·out-of-plane-angle·<b>·phi·</b>·is·defined·as·the·angle·between·the·planes·defined·by·<em>·ABC·</em>·and·<em>·BCD·</em>.·The·improper·torsion·energy·$E_{imp}$·is·then·defined·as·$·E_{imp}·=·k·(\theta·-·\theta_0)^2·$·where·$k$·and·$\theta_0$·are·constants·read·from·the·parameter·section·and·depend·on·the·atom·types·of·<em>·A·</em>,·<em>·B·</em>,·<em>·C·</em>,·and·<em>·D·</em>.·</dd></dl>
228 <dl·class="section·user"><dt></dt><dd></dd></dl>228 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
229 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/daf/a00830_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d9/daf/a00830_source.html">charmmImproperTorsion.h</a>.</p>229 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/df9/a00044_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d5/df9/a00044_source.html">charmmImproperTorsion.h</a>.</p>
230 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>230 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
231 <a·id="af1905294765a2c5866d52b325e53614a"·name="af1905294765a2c5866d52b325e53614a"></a>231 <a·id="af1905294765a2c5866d52b325e53614a"·name="af1905294765a2c5866d52b325e53614a"></a>
232 <h2·class="memtitle"><span·class="permalink"><a·href="#af1905294765a2c5866d52b325e53614a">&#9670;&nbsp;</a></span>CharmmImproperTorsion()·<span·class="overload">[1/3]</span></h2>232 <h2·class="memtitle"><span·class="permalink"><a·href="#af1905294765a2c5866d52b325e53614a">&#9670;&nbsp;</a></span>CharmmImproperTorsion()·<span·class="overload">[1/3]</span></h2>
  
233 <div·class="memitem">233 <div·class="memitem">
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary"> 
69 <a·href="#nested-classes">Classes</a>·&#124; 
70 <a·href="#namespaces">Namespaces</a>··</div> 
71 ··<div·class="headertitle"><div·class="title">connectedComponentsProcessor.h·File·Reference</div></div>68 ··<div·class="headertitle"><div·class="title">structure.h·File·Reference</div></div>
72 </div><!--header-->69 </div><!--header-->
73 <div·class="contents">70 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>71 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d3e/a01676_source.html">BALL/STRUCTURE/analyticalSES.h</a>&gt;</code><br·/>
 72 <code>#include·&lt;<a·class="el"·href="../../da/d18/a01850_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code><br·/>
 73 <code>#include·&lt;<a·class="el"·href="../../df/d9a/a01715_source.html">BALL/STRUCTURE/fragmentDB.h</a>&gt;</code><br·/>
 74 <code>#include·&lt;<a·class="el"·href="../../dd/d20/a01772_source.html">BALL/STRUCTURE/geometricProperties.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d5/dd6/a01820_source.html">BALL/STRUCTURE/geometricTransformations.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d9/d7d/a01880_source.html">BALL/STRUCTURE/numericalSAS.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/db5/a00374_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d1/d6b/a01775_source.html">BALL/STRUCTURE/residueChecker.h</a>&gt;</code><br·/>
76 <code>#include·&lt;boost/pending/disjoint_sets.hpp&gt;</code><br·/>78 <code>#include·&lt;<a·class="el"·href="../../d6/d27/a01781_source.html">BALL/STRUCTURE/rotamerLibrary.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d3/d4c/a01724_source.html">BALL/STRUCTURE/structureMapper.h</a>&gt;</code><br·/>
77 </div>80 </div>
78 <p><a·href="../../db/d3a/a00641_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../db/d3a/a00641_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls"> 
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
81 Classes</h2></td></tr> 
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d8d/a06834.html">BALL::ConnectedComponentsProcessor</a></td></tr> 
83 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Computation·of·the·connected·components·of·the·molecular·graph.··<a·href="../../d2/d8d/a06834.html#details">More...</a><br·/></td></tr> 
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
85 </table><table·class="memberdecls"> 
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
87 Namespaces</h2></td></tr> 
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 </table> 
91 </div><!--·contents·-->82 </div><!--·contents·-->
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93 <hr·class="footer"/><address·class="footer"><small>84 <hr·class="footer"/><address·class="footer"><small>
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71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="#pub-attribs">Public·Attributes</a>·&#124;72 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
73 <a·href="../../d5/dfa/a08187.html">List·of·all·members</a>··</div>73 <a·href="../../d5/dfa/a08187.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::QuadMesh·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::QuadMesh·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../da/df6/a01454_source.html">BALL/VIEW/PRIMITIVES/quadMesh.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d0/d9b/a01379_source.html">BALL/VIEW/PRIMITIVES/quadMesh.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::VIEW::QuadMesh:</div>79 Inheritance·diagram·for·BALL::VIEW::QuadMesh:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../db/d40/a08190.png"·usemap="#BALL::VIEW::QuadMesh_map"·alt=""/>82 ··<img·src="../../db/d40/a08190.png"·usemap="#BALL::VIEW::QuadMesh_map"·alt=""/>
83 ··<map·id="BALL::VIEW::QuadMesh_map"·name="BALL::VIEW::QuadMesh_map">83 ··<map·id="BALL::VIEW::QuadMesh_map"·name="BALL::VIEW::QuadMesh_map">
84 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,198,24"/>84 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,198,24"/>
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184 <tr·class="memitem:ab0eb1042ec225a9d403977ba0704c306·inherit·pub_attribs_a07450"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d60/a07450.html#ab0eb1042ec225a9d403977ba0704c306">colors</a></td></tr>184 <tr·class="memitem:ab0eb1042ec225a9d403977ba0704c306·inherit·pub_attribs_a07450"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d60/a07450.html#ab0eb1042ec225a9d403977ba0704c306">colors</a></td></tr>
185 <tr·class="separator:ab0eb1042ec225a9d403977ba0704c306·inherit·pub_attribs_a07450"><td·class="memSeparator"·colspan="2">&#160;</td></tr>185 <tr·class="separator:ab0eb1042ec225a9d403977ba0704c306·inherit·pub_attribs_a07450"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
186 </table>186 </table>
187 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>187 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
188 <div·class="textblock"><p·><a·class="el"·href="../../db/d40/a08190.html">QuadMesh</a>·class.·<br··/>188 <div·class="textblock"><p·><a·class="el"·href="../../db/d40/a08190.html">QuadMesh</a>·class.·<br··/>
189 ·An·instance·of·<a·class="el"·href="../../db/d40/a08190.html">QuadMesh</a>·represents·an·mesh·with·quadruples.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>189 ·An·instance·of·<a·class="el"·href="../../db/d40/a08190.html">QuadMesh</a>·represents·an·mesh·with·quadruples.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/df6/a01454_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../da/df6/a01454_source.html">quadMesh.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d9b/a01379_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d0/d9b/a01379_source.html">quadMesh.h</a>.</p>
191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
192 <a·id="a86c58f6e10a6c16b147ec038b14b248a"·name="a86c58f6e10a6c16b147ec038b14b248a"></a>192 <a·id="a86c58f6e10a6c16b147ec038b14b248a"·name="a86c58f6e10a6c16b147ec038b14b248a"></a>
193 <h2·class="memtitle"><span·class="permalink"><a·href="#a86c58f6e10a6c16b147ec038b14b248a">&#9670;&nbsp;</a></span>QuadMesh()·<span·class="overload">[1/2]</span></h2>193 <h2·class="memtitle"><span·class="permalink"><a·href="#a86c58f6e10a6c16b147ec038b14b248a">&#9670;&nbsp;</a></span>QuadMesh()·<span·class="overload">[1/2]</span></h2>
  
194 <div·class="memitem">194 <div·class="memitem">
195 <div·class="memproto">195 <div·class="memproto">
196 ······<table·class="memname">196 ······<table·class="memname">
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249 ··</td>249 ··</td>
250 ··<td·class="mlabels-right">250 ··<td·class="mlabels-right">
251 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>251 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
252 ··</tr>252 ··</tr>
253 </table>253 </table>
254 </div><div·class="memdoc">254 </div><div·class="memdoc">
  
255 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/df6/a01454_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../da/df6/a01454_source.html">quadMesh.h</a>.</p>255 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d9b/a01379_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../d0/d9b/a01379_source.html">quadMesh.h</a>.</p>
  
256 </div>256 </div>
257 </div>257 </div>
258 <h2·class="groupheader">Member·Function·Documentation</h2>258 <h2·class="groupheader">Member·Function·Documentation</h2>
259 <a·id="aedc351fc6774c725e758afe8711e56d4"·name="aedc351fc6774c725e758afe8711e56d4"></a>259 <a·id="aedc351fc6774c725e758afe8711e56d4"·name="aedc351fc6774c725e758afe8711e56d4"></a>
260 <h2·class="memtitle"><span·class="permalink"><a·href="#aedc351fc6774c725e758afe8711e56d4">&#9670;&nbsp;</a></span>getVertices()</h2>260 <h2·class="memtitle"><span·class="permalink"><a·href="#aedc351fc6774c725e758afe8711e56d4">&#9670;&nbsp;</a></span>getVertices()</h2>
  
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280 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>280 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
281 ··</tr>281 ··</tr>
282 </table>282 </table>
283 </div><div·class="memdoc">283 </div><div·class="memdoc">
  
284 <p>Reimplemented·from·<a·class="el"·href="../../df/d1d/a07806.html#a530cc06018b023332f94182a7756272a">BALL::VIEW::GeometricObject</a>.</p>284 <p>Reimplemented·from·<a·class="el"·href="../../df/d1d/a07806.html#a530cc06018b023332f94182a7756272a">BALL::VIEW::GeometricObject</a>.</p>
  
285 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/df6/a01454_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../da/df6/a01454_source.html">quadMesh.h</a>.</p>285 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d9b/a01379_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../d0/d9b/a01379_source.html">quadMesh.h</a>.</p>
  
286 </div>286 </div>
287 </div>287 </div>
288 <h2·class="groupheader">Member·Data·Documentation</h2>288 <h2·class="groupheader">Member·Data·Documentation</h2>
289 <a·id="ade313c6310695e32b92e9bc62c63ac11"·name="ade313c6310695e32b92e9bc62c63ac11"></a>289 <a·id="ade313c6310695e32b92e9bc62c63ac11"·name="ade313c6310695e32b92e9bc62c63ac11"></a>
290 <h2·class="memtitle"><span·class="permalink"><a·href="#ade313c6310695e32b92e9bc62c63ac11">&#9670;&nbsp;</a></span>normal</h2>290 <h2·class="memtitle"><span·class="permalink"><a·href="#ade313c6310695e32b92e9bc62c63ac11">&#9670;&nbsp;</a></span>normal</h2>
  
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324 <div·class="memitem">324 <div·class="memitem">
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335 <p·>The·colors·belonging·to·each·vertex.·If·this·list·has·<em>less</em>·entries·than·there·are·vertices·in·this·mesh,·we·take·the·first·element·to·color·the·whole·mesh.·If·it·is·<em>empty</em>,·we·use·the·color·white.·</p>335 <p·>The·colors·belonging·to·each·vertex.·If·this·list·has·<em>less</em>·entries·than·there·are·vertices·in·this·mesh,·we·take·the·first·element·to·color·the·whole·mesh.·If·it·is·<em>empty</em>,·we·use·the·color·white.·</p>
  
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65 </div><!--header-->72 </div><!--header-->
66 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
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 77 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>
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 79 <p><a·href="../../db/d42/a01220_source.html">Go·to·the·source·code·of·this·file.</a></p>
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72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::ModelParameterError·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::ModelParameterError·Class·Reference</div></div>
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74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/d51/a20335_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
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135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>exception·for·creation·of·a·model·with·wrong·number·of·parameters·or·with·wrong·types·of·parameters·</p>136 <div·class="textblock"><p·>exception·for·creation·of·a·model·with·wrong·number·of·parameters·or·with·wrong·types·of·parameters·</p>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#typedef-members">Typedefs</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">contour.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">addHydrogenProcessor.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/da9/a01934_source.html">BALL/DATATYPE/regularData2D.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d4/d0d/a01904_source.html">BALL/DATATYPE/contourLine.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
77 <code>#include·&lt;vector&gt;</code><br·/>76 <code>#include·&lt;vector&gt;</code><br·/>
78 </div>77 </div>
79 <p><a·href="../../db/d4b/a01883_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../db/d4b/a01883_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">79 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>81 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d96/a03402.html">BALL::TContour&lt;·T·&gt;</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d3f/a06630.html">BALL::AddHydrogenProcessor</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table><table·class="memberdecls">84 </table><table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
87 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls"> 
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
92 Typedefs</h2></td></tr> 
93 <tr·class="memitem:ga0028f774bd82ececc28738aabdd2d82b"><td·class="memItemLeft"·align="right"·valign="top">typedef·TContour&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d42/a02134.html#ga0028f774bd82ececc28738aabdd2d82b">BALL::Contour</a></td></tr> 
94 <tr·class="separator:ga0028f774bd82ececc28738aabdd2d82b"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 </table>89 </table>
96 </div><!--·contents·-->90 </div><!--·contents·-->
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98 <hr·class="footer"/><address·class="footer"><small>92 <hr·class="footer"/><address·class="footer"><small>
99 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.493 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-slots">Public·Slots</a>·&#124;70 <a·href="#pub-slots">Public·Slots</a>·&#124;
71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::StereoSettingsDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::StereoSettingsDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d9/d6e/a01409_source.html">BALL/VIEW/DIALOGS/stereoSettingsDialog.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dd/d95/a01247_source.html">BALL/VIEW/DIALOGS/stereoSettingsDialog.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::StereoSettingsDialog:</div>78 Inheritance·diagram·for·BALL::VIEW::StereoSettingsDialog:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../db/d4e/a07742.png"·usemap="#BALL::VIEW::StereoSettingsDialog_map"·alt=""/>81 ··<img·src="../../db/d4e/a07742.png"·usemap="#BALL::VIEW::StereoSettingsDialog_map"·alt=""/>
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244 </table>244 </table>
245 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>245 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
246 <div·class="textblock"><p·>Dialog·to·set·the·focal·plane·to·a·given·value·</p>246 <div·class="textblock"><p·>Dialog·to·set·the·focal·plane·to·a·given·value·</p>
  
247 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d6e/a01409_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d9/d6e/a01409_source.html">stereoSettingsDialog.h</a>.</p>247 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d95/a01247_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../dd/d95/a01247_source.html">stereoSettingsDialog.h</a>.</p>
248 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>248 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
249 <a·id="a7427efc43ae18e2101aba6eb1c28ec94"·name="a7427efc43ae18e2101aba6eb1c28ec94"></a>249 <a·id="a7427efc43ae18e2101aba6eb1c28ec94"·name="a7427efc43ae18e2101aba6eb1c28ec94"></a>
250 <h2·class="memtitle"><span·class="permalink"><a·href="#a7427efc43ae18e2101aba6eb1c28ec94">&#9670;&nbsp;</a></span>StereoSettingsDialog()</h2>250 <h2·class="memtitle"><span·class="permalink"><a·href="#a7427efc43ae18e2101aba6eb1c28ec94">&#9670;&nbsp;</a></span>StereoSettingsDialog()</h2>
  
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8 <title>BALL:·exception.h·File·Reference</title>8 <title>BALL:·datatype.doc·File·Reference</title>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath"> 
63 ··<ul> 
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul> 
65 </div> 
66 </div><!--·top·-->62 </div><!--·top·-->
67 <div·class="header">63 <div·class="header">
68 ··<div·class="summary"> 
69 <a·href="#nested-classes">Classes</a>·&#124; 
70 <a·href="#namespaces">Namespaces</a>··</div> 
71 ··<div·class="headertitle"><div·class="title">QSAR/exception.h·File·Reference</div></div>64 ··<div·class="headertitle"><div·class="title">datatype.doc·File·Reference</div></div>
72 </div><!--header-->65 </div><!--header-->
73 <div·class="contents">66 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/> 
75 </div> 
76 <p><a·href="../../db/d51/a20335_source.html">Go·to·the·source·code·of·this·file.</a></p> 
77 <table·class="memberdecls"> 
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;70 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;
71 <a·href="../../d2/da1/a05647.html">List·of·all·members</a>··</div>71 <a·href="../../d2/da1/a05647.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::ConfigIO·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::ConfigIO·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../da/d2d/a02018_source.html">BALL/QSAR/configIO.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dc/d2f/a00425_source.html">BALL/QSAR/configIO.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>
78 Static·Public·Member·Functions</h2></td></tr>78 Static·Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:a84da7875803631f73a01f35ead2e2aeb"><td·class="memItemLeft"·align="right"·valign="top">static·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d53/a05650.html#a84da7875803631f73a01f35ead2e2aeb">putbackLine</a>·(std::istream·*input,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;line)</td></tr>79 <tr·class="memitem:a84da7875803631f73a01f35ead2e2aeb"><td·class="memItemLeft"·align="right"·valign="top">static·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d53/a05650.html#a84da7875803631f73a01f35ead2e2aeb">putbackLine</a>·(std::istream·*input,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;line)</td></tr>
80 <tr·class="separator:a84da7875803631f73a01f35ead2e2aeb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a84da7875803631f73a01f35ead2e2aeb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a68b6ad05da27216a65818ea11e2fc2db"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d7/d1a/a05634.html">ModelConfiguration</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d53/a05650.html#a68b6ad05da27216a65818ea11e2fc2db">readModelConfiguration</a>·(std::istream·*input)</td></tr>81 <tr·class="memitem:a68b6ad05da27216a65818ea11e2fc2db"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d7/d1a/a05634.html">ModelConfiguration</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d53/a05650.html#a68b6ad05da27216a65818ea11e2fc2db">readModelConfiguration</a>·(std::istream·*input)</td></tr>
82 <tr·class="separator:a68b6ad05da27216a65818ea11e2fc2db"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a68b6ad05da27216a65818ea11e2fc2db"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
Offset 90, 15 lines modifiedOffset 90, 15 lines modified
90 <tr·class="memitem:affc30fa4d14e045496318f974e7a9107"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d9/d43/a05642.html">ValidationConfiguration</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d53/a05650.html#affc30fa4d14e045496318f974e7a9107">readValidationConfiguration</a>·(std::istream·*input)</td></tr>90 <tr·class="memitem:affc30fa4d14e045496318f974e7a9107"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d9/d43/a05642.html">ValidationConfiguration</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d53/a05650.html#affc30fa4d14e045496318f974e7a9107">readValidationConfiguration</a>·(std::istream·*input)</td></tr>
91 <tr·class="separator:affc30fa4d14e045496318f974e7a9107"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:affc30fa4d14e045496318f974e7a9107"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:a7a22eb407b5a4b3ec3290e5f0071108b"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d1/d00/a05646.html">PredictionConfiguration</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d53/a05650.html#a7a22eb407b5a4b3ec3290e5f0071108b">readPredictionConfiguration</a>·(std::istream·*input)</td></tr>92 <tr·class="memitem:a7a22eb407b5a4b3ec3290e5f0071108b"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d1/d00/a05646.html">PredictionConfiguration</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d53/a05650.html#a7a22eb407b5a4b3ec3290e5f0071108b">readPredictionConfiguration</a>·(std::istream·*input)</td></tr>
93 <tr·class="separator:a7a22eb407b5a4b3ec3290e5f0071108b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:a7a22eb407b5a4b3ec3290e5f0071108b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>94 </table>
95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock">96 <div·class="textblock">
97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d2d/a02018_source.html#l00135">135</a>·of·file·<a·class="el"·href="../../da/d2d/a02018_source.html">configIO.h</a>.</p>97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00135">135</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">configIO.h</a>.</p>
98 </div><h2·class="groupheader">Member·Function·Documentation</h2>98 </div><h2·class="groupheader">Member·Function·Documentation</h2>
99 <a·id="a84da7875803631f73a01f35ead2e2aeb"·name="a84da7875803631f73a01f35ead2e2aeb"></a>99 <a·id="a84da7875803631f73a01f35ead2e2aeb"·name="a84da7875803631f73a01f35ead2e2aeb"></a>
100 <h2·class="memtitle"><span·class="permalink"><a·href="#a84da7875803631f73a01f35ead2e2aeb">&#9670;&nbsp;</a></span>putbackLine()</h2>100 <h2·class="memtitle"><span·class="permalink"><a·href="#a84da7875803631f73a01f35ead2e2aeb">&#9670;&nbsp;</a></span>putbackLine()</h2>
  
101 <div·class="memitem">101 <div·class="memitem">
102 <div·class="memproto">102 <div·class="memproto">
103 <table·class="mlabels">103 <table·class="mlabels">
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="#pub-types">Public·Types</a>·&#124;71 <a·href="#pub-types">Public·Types</a>·&#124;
72 <a·href="../../de/d0d/a06343.html">List·of·all·members</a>··</div>72 <a·href="../../de/d0d/a06343.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::PolarSolvation·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::PolarSolvation·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../dc/d9a/a00218_source.html">BALL/SCORING/COMPONENTS/polarSolvation.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d3/d48/a02069_source.html">BALL/SCORING/COMPONENTS/polarSolvation.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::PolarSolvation:</div>78 Inheritance·diagram·for·BALL::PolarSolvation:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../db/d59/a06346.png"·usemap="#BALL::PolarSolvation_map"·alt=""/>81 ··<img·src="../../db/d59/a06346.png"·usemap="#BALL::PolarSolvation_map"·alt=""/>
82 ··<map·id="BALL::PolarSolvation_map"·name="BALL::PolarSolvation_map">82 ··<map·id="BALL::PolarSolvation_map"·name="BALL::PolarSolvation_map">
83 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>83 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
Offset 222, 17 lines modifiedOffset 222, 17 lines modified
222 <tr·class="separator:ac9dea80f76341d127c477b53221c1462·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>222 <tr·class="separator:ac9dea80f76341d127c477b53221c1462·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
223 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>223 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>
224 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>224 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
225 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>225 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
226 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>226 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
227 </table>227 </table>
228 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>228 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
229 <div·class="textblock"><p·>SLICK·polar·solvation·component·\·{\bf·Definition:}·\URL{<a·class="el"·href="../../dc/d9a/a00218.html">BALL/SCORING/COMPONENTS/polarSolvation.h</a>}·</p>229 <div·class="textblock"><p·>SLICK·polar·solvation·component·\·{\bf·Definition:}·\URL{<a·class="el"·href="../../d3/d48/a02069.html">BALL/SCORING/COMPONENTS/polarSolvation.h</a>}·</p>
  
230 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d9a/a00218_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../dc/d9a/a00218_source.html">polarSolvation.h</a>.</p>230 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d48/a02069_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d3/d48/a02069_source.html">polarSolvation.h</a>.</p>
231 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>231 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
232 <a·id="a82cd8a577d86d6c2dd989fa165e05be7"·name="a82cd8a577d86d6c2dd989fa165e05be7"></a>232 <a·id="a82cd8a577d86d6c2dd989fa165e05be7"·name="a82cd8a577d86d6c2dd989fa165e05be7"></a>
233 <h2·class="memtitle"><span·class="permalink"><a·href="#a82cd8a577d86d6c2dd989fa165e05be7">&#9670;&nbsp;</a></span>AveragingMethod</h2>233 <h2·class="memtitle"><span·class="permalink"><a·href="#a82cd8a577d86d6c2dd989fa165e05be7">&#9670;&nbsp;</a></span>AveragingMethod</h2>
  
234 <div·class="memitem">234 <div·class="memitem">
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236 ······<table·class="memname">236 ······<table·class="memname">
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251 </td></tr>251 </td></tr>
252 <tr><td·class="fieldname"><a·id="a82cd8a577d86d6c2dd989fa165e05be7adab7691493c0b0bfde7540d536c1cb20"·name="a82cd8a577d86d6c2dd989fa165e05be7adab7691493c0b0bfde7540d536c1cb20"></a>AVERAGING__RANDOM&#160;</td><td·class="fielddoc"><p·>The·grid·of·the·<a·class="el"·href="../../d1/d1b/a06326.html">PB</a>·solver·will·be·translated·a·bit·in·every·direction·by·different·randomly·chosen·length·(not·yet·implemented).·</p>252 <tr><td·class="fieldname"><a·id="a82cd8a577d86d6c2dd989fa165e05be7adab7691493c0b0bfde7540d536c1cb20"·name="a82cd8a577d86d6c2dd989fa165e05be7adab7691493c0b0bfde7540d536c1cb20"></a>AVERAGING__RANDOM&#160;</td><td·class="fielddoc"><p·>The·grid·of·the·<a·class="el"·href="../../d1/d1b/a06326.html">PB</a>·solver·will·be·translated·a·bit·in·every·direction·by·different·randomly·chosen·length·(not·yet·implemented).·</p>
253 </td></tr>253 </td></tr>
254 </table>254 </table>
  
255 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d9a/a00218_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../dc/d9a/a00218_source.html">polarSolvation.h</a>.</p>255 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d48/a02069_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d3/d48/a02069_source.html">polarSolvation.h</a>.</p>
  
256 </div>256 </div>
257 </div>257 </div>
258 <a·id="a362971d682723cfd8d2aa01a253bdc80"·name="a362971d682723cfd8d2aa01a253bdc80"></a>258 <a·id="a362971d682723cfd8d2aa01a253bdc80"·name="a362971d682723cfd8d2aa01a253bdc80"></a>
259 <h2·class="memtitle"><span·class="permalink"><a·href="#a362971d682723cfd8d2aa01a253bdc80">&#9670;&nbsp;</a></span>CalculationMethod</h2>259 <h2·class="memtitle"><span·class="permalink"><a·href="#a362971d682723cfd8d2aa01a253bdc80">&#9670;&nbsp;</a></span>CalculationMethod</h2>
  
260 <div·class="memitem">260 <div·class="memitem">
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274 <tr><td·class="fieldname"><a·id="a362971d682723cfd8d2aa01a253bdc80acd61f22429f1809cd49a9100f31bd907"·name="a362971d682723cfd8d2aa01a253bdc80acd61f22429f1809cd49a9100f31bd907"></a>CALCULATION__FULL_CYCLE&#160;</td><td·class="fielddoc"></td></tr>274 <tr><td·class="fieldname"><a·id="a362971d682723cfd8d2aa01a253bdc80acd61f22429f1809cd49a9100f31bd907"·name="a362971d682723cfd8d2aa01a253bdc80acd61f22429f1809cd49a9100f31bd907"></a>CALCULATION__FULL_CYCLE&#160;</td><td·class="fielddoc"></td></tr>
275 <tr><td·class="fieldname"><a·id="a362971d682723cfd8d2aa01a253bdc80af50081148529a76e97b2ce4658eec937"·name="a362971d682723cfd8d2aa01a253bdc80af50081148529a76e97b2ce4658eec937"></a>CALCULATION__FULL_CYCLE_FOCUSED&#160;</td><td·class="fielddoc"></td></tr>275 <tr><td·class="fieldname"><a·id="a362971d682723cfd8d2aa01a253bdc80af50081148529a76e97b2ce4658eec937"·name="a362971d682723cfd8d2aa01a253bdc80af50081148529a76e97b2ce4658eec937"></a>CALCULATION__FULL_CYCLE_FOCUSED&#160;</td><td·class="fielddoc"></td></tr>
276 <tr><td·class="fieldname"><a·id="a362971d682723cfd8d2aa01a253bdc80aab721fbefb52a83ae77c8cfd0d02ec63"·name="a362971d682723cfd8d2aa01a253bdc80aab721fbefb52a83ae77c8cfd0d02ec63"></a>CALCULATION__COULOMB&#160;</td><td·class="fielddoc"></td></tr>276 <tr><td·class="fieldname"><a·id="a362971d682723cfd8d2aa01a253bdc80aab721fbefb52a83ae77c8cfd0d02ec63"·name="a362971d682723cfd8d2aa01a253bdc80aab721fbefb52a83ae77c8cfd0d02ec63"></a>CALCULATION__COULOMB&#160;</td><td·class="fielddoc"></td></tr>
277 <tr><td·class="fieldname"><a·id="a362971d682723cfd8d2aa01a253bdc80a4976de9a9ddcd2f4c5a0af11e3ea562e"·name="a362971d682723cfd8d2aa01a253bdc80a4976de9a9ddcd2f4c5a0af11e3ea562e"></a>CALCULATION__EEF1&#160;</td><td·class="fielddoc"></td></tr>277 <tr><td·class="fieldname"><a·id="a362971d682723cfd8d2aa01a253bdc80a4976de9a9ddcd2f4c5a0af11e3ea562e"·name="a362971d682723cfd8d2aa01a253bdc80a4976de9a9ddcd2f4c5a0af11e3ea562e"></a>CALCULATION__EEF1&#160;</td><td·class="fielddoc"></td></tr>
278 </table>278 </table>
  
279 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d9a/a00218_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../dc/d9a/a00218_source.html">polarSolvation.h</a>.</p>279 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d48/a02069_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d3/d48/a02069_source.html">polarSolvation.h</a>.</p>
  
280 </div>280 </div>
281 </div>281 </div>
282 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>282 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
283 <a·id="aa4b592b2aae09d99fdefc651d200f7c2"·name="aa4b592b2aae09d99fdefc651d200f7c2"></a>283 <a·id="aa4b592b2aae09d99fdefc651d200f7c2"·name="aa4b592b2aae09d99fdefc651d200f7c2"></a>
284 <h2·class="memtitle"><span·class="permalink"><a·href="#aa4b592b2aae09d99fdefc651d200f7c2">&#9670;&nbsp;</a></span>PolarSolvation()·<span·class="overload">[1/3]</span></h2>284 <h2·class="memtitle"><span·class="permalink"><a·href="#aa4b592b2aae09d99fdefc651d200f7c2">&#9670;&nbsp;</a></span>PolarSolvation()·<span·class="overload">[1/3]</span></h2>
  
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d0/d91/a07447.html">List·of·all·members</a>··</div>70 <a·href="../../d0/d91/a07447.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MultiColorExtension·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../d0/d9d/a02202.html">Helper·Base·Classes·for·derived·GeometricObject·'s</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MultiColorExtension·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../d0/d9d/a02202.html">Helper·Base·Classes·for·derived·GeometricObject·'s</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d1/dde/a01496_source.html">BALL/VIEW/DATATYPE/colorExtensions.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d8/dbe/a01370_source.html">BALL/VIEW/DATATYPE/colorExtensions.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::MultiColorExtension:</div>76 Inheritance·diagram·for·BALL::VIEW::MultiColorExtension:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../db/d60/a07450.png"·usemap="#BALL::VIEW::MultiColorExtension_map"·alt=""/>79 ··<img·src="../../db/d60/a07450.png"·usemap="#BALL::VIEW::MultiColorExtension_map"·alt=""/>
80 ··<map·id="BALL::VIEW::MultiColorExtension_map"·name="BALL::VIEW::MultiColorExtension_map">80 ··<map·id="BALL::VIEW::MultiColorExtension_map"·name="BALL::VIEW::MultiColorExtension_map">
81 <area·href="../../de/d75/a08178.html"·alt="BALL::VIEW::Mesh"·shape="rect"·coords="0,56,198,80"/>81 <area·href="../../de/d75/a08178.html"·alt="BALL::VIEW::Mesh"·shape="rect"·coords="0,56,198,80"/>
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121 <tr·class="separator:ab8c547739c88379585febb9c3ee4a1eb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>121 <tr·class="separator:ab8c547739c88379585febb9c3ee4a1eb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
122 </table>122 </table>
123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
124 <div·class="textblock"><p·>Base·class·for·geometric·objects·that·need·multiple·colors.·It·provides·the·derived·class·with·methods·for·accessing·these·colors.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·</dd>124 <div·class="textblock"><p·>Base·class·for·geometric·objects·that·need·multiple·colors.·It·provides·the·derived·class·with·methods·for·accessing·these·colors.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·</dd>
125 <dd>125 <dd>
126 <a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·</dd></dl>126 <a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·</dd></dl>
  
127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dde/a01496_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../d1/dde/a01496_source.html">colorExtensions.h</a>.</p>127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbe/a01370_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../d8/dbe/a01370_source.html">colorExtensions.h</a>.</p>
128 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>128 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
129 <a·id="a784e5c5d2bacd3b5cc71002ee0ff0cc6"·name="a784e5c5d2bacd3b5cc71002ee0ff0cc6"></a>129 <a·id="a784e5c5d2bacd3b5cc71002ee0ff0cc6"·name="a784e5c5d2bacd3b5cc71002ee0ff0cc6"></a>
130 <h2·class="memtitle"><span·class="permalink"><a·href="#a784e5c5d2bacd3b5cc71002ee0ff0cc6">&#9670;&nbsp;</a></span>MultiColorExtension()·<span·class="overload">[1/2]</span></h2>130 <h2·class="memtitle"><span·class="permalink"><a·href="#a784e5c5d2bacd3b5cc71002ee0ff0cc6">&#9670;&nbsp;</a></span>MultiColorExtension()·<span·class="overload">[1/2]</span></h2>
  
131 <div·class="memitem">131 <div·class="memitem">
132 <div·class="memproto">132 <div·class="memproto">
133 ······<table·class="memname">133 ······<table·class="memname">
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406 ······<table·class="memname">406 ······<table·class="memname">
407 ········<tr>407 ········<tr>
408 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>&gt;·BALL::VIEW::MultiColorExtension::colors</td>408 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>&gt;·BALL::VIEW::MultiColorExtension::colors</td>
409 ········</tr>409 ········</tr>
410 ······</table>410 ······</table>
411 </div><div·class="memdoc">411 </div><div·class="memdoc">
  
412 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dde/a01496_source.html#l00199">199</a>·of·file·<a·class="el"·href="../../d1/dde/a01496_source.html">colorExtensions.h</a>.</p>412 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbe/a01370_source.html#l00199">199</a>·of·file·<a·class="el"·href="../../d8/dbe/a01370_source.html">colorExtensions.h</a>.</p>
  
413 </div>413 </div>
414 </div>414 </div>
415 </div><!--·contents·-->415 </div><!--·contents·-->
416 <!--·start·footer·part·-->416 <!--·start·footer·part·-->
417 <hr·class="footer"/><address·class="footer"><small>417 <hr·class="footer"/><address·class="footer"><small>
418 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4418 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="../../dc/d43/a04727.html">List·of·all·members</a>··</div>72 <a·href="../../dc/d43/a04727.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::ConnectedToPredicate·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::ConnectedToPredicate·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::ConnectedToPredicate:</div>78 Inheritance·diagram·for·BALL::ConnectedToPredicate:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../db/d62/a04730.png"·usemap="#BALL::ConnectedToPredicate_map"·alt=""/>81 ··<img·src="../../db/d62/a04730.png"·usemap="#BALL::ConnectedToPredicate_map"·alt=""/>
82 ··<map·id="BALL::ConnectedToPredicate_map"·name="BALL::ConnectedToPredicate_map">82 ··<map·id="BALL::ConnectedToPredicate_map"·name="BALL::ConnectedToPredicate_map">
83 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>83 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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144 <p>Elements·&amp;·</p><dl·class="section·user"><dt></dt><dd><code>symbol</code>·&amp;·the·desired·element·</dd></dl>144 <p>Elements·&amp;·</p><dl·class="section·user"><dt></dt><dd><code>symbol</code>·&amp;·the·desired·element·</dd></dl>
145 <dl·class="section·user"><dt></dt><dd></dd></dl>145 <dl·class="section·user"><dt></dt><dd></dd></dl>
146 <p><code>*</code>·&amp;·any·element·</p><dl·class="section·user"><dt></dt><dd></dd></dl>146 <p><code>*</code>·&amp;·any·element·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
147 <p>Groups·&amp;·</p><dl·class="section·user"><dt></dt><dd><code>(·)</code>·&amp;·symbols·enlosed·by·brackets·denote·groups·</dd></dl>147 <p>Groups·&amp;·</p><dl·class="section·user"><dt></dt><dd><code>(·)</code>·&amp;·symbols·enlosed·by·brackets·denote·groups·</dd></dl>
148 <dl·class="section·user"><dt></dt><dd></dd></dl>148 <dl·class="section·user"><dt></dt><dd></dd></dl>
149 <p>\end{tabular}·</p>149 <p>\end{tabular}·</p>
  
150 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00480">480</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>150 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00480">480</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
151 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>151 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
152 <a·id="a7b5cc4c8a47cdd23f19844e6eb4e249f"·name="a7b5cc4c8a47cdd23f19844e6eb4e249f"></a>152 <a·id="a7b5cc4c8a47cdd23f19844e6eb4e249f"·name="a7b5cc4c8a47cdd23f19844e6eb4e249f"></a>
153 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b5cc4c8a47cdd23f19844e6eb4e249f">&#9670;&nbsp;</a></span>ConnectedToPredicate()·<span·class="overload">[1/2]</span></h2>153 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b5cc4c8a47cdd23f19844e6eb4e249f">&#9670;&nbsp;</a></span>ConnectedToPredicate()·<span·class="overload">[1/2]</span></h2>
  
154 <div·class="memitem">154 <div·class="memitem">
155 <div·class="memproto">155 <div·class="memproto">
156 ······<table·class="memname">156 ······<table·class="memname">
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="#pub-types">Public·Types</a>·&#124;71 <a·href="#pub-types">Public·Types</a>·&#124;
72 <a·href="../../dd/dc9/a05355.html">List·of·all·members</a>··</div>72 <a·href="../../dd/dc9/a05355.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::CosineTorsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::CosineTorsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../df/d0c/a00788_source.html">BALL/MOLMEC/PARAMETER/cosineTorsion.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dc/de6/a00167_source.html">BALL/MOLMEC/PARAMETER/cosineTorsion.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::CosineTorsion:</div>78 Inheritance·diagram·for·BALL::CosineTorsion:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../db/d62/a05358.png"·usemap="#BALL::CosineTorsion_map"·alt=""/>81 ··<img·src="../../db/d62/a05358.png"·usemap="#BALL::CosineTorsion_map"·alt=""/>
82 ··<map·id="BALL::CosineTorsion_map"·name="BALL::CosineTorsion_map">82 ··<map·id="BALL::CosineTorsion_map"·name="BALL::CosineTorsion_map">
83 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>83 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>
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205 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>205 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>
206 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>206 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
207 </table>207 </table>
208 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>208 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
209 <div·class="textblock"><p·>Cosine·Torsion.</p>209 <div·class="textblock"><p·>Cosine·Torsion.</p>
210 <p·>Molecular·Mechanics·Parameter:·class·describing·the·parameter·section·required·for·torsions·using·a·cosine·type·potential·function.·</p>210 <p·>Molecular·Mechanics·Parameter:·class·describing·the·parameter·section·required·for·torsions·using·a·cosine·type·potential·function.·</p>
  
211 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0c/a00788_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../df/d0c/a00788_source.html">cosineTorsion.h</a>.</p>211 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/de6/a00167_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../dc/de6/a00167_source.html">cosineTorsion.h</a>.</p>
212 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>212 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
213 <a·id="a2406656d927d77bcf3906c9fc3a0cfb5"·name="a2406656d927d77bcf3906c9fc3a0cfb5"></a>213 <a·id="a2406656d927d77bcf3906c9fc3a0cfb5"·name="a2406656d927d77bcf3906c9fc3a0cfb5"></a>
214 <h2·class="memtitle"><span·class="permalink"><a·href="#a2406656d927d77bcf3906c9fc3a0cfb5">&#9670;&nbsp;</a></span>anonymous·enum</h2>214 <h2·class="memtitle"><span·class="permalink"><a·href="#a2406656d927d77bcf3906c9fc3a0cfb5">&#9670;&nbsp;</a></span>anonymous·enum</h2>
  
215 <div·class="memitem">215 <div·class="memitem">
216 <div·class="memproto">216 <div·class="memproto">
217 ······<table·class="memname">217 ······<table·class="memname">
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222 ········</tr>222 ········</tr>
223 ······</table>223 ······</table>
224 </div><div·class="memdoc">224 </div><div·class="memdoc">
225 <table·class="fieldtable">225 <table·class="fieldtable">
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229 </div>229 </div>
230 </div>230 </div>
231 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>231 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
232 <a·id="aed914841af37671c295d93d63eb0d6c7"·name="aed914841af37671c295d93d63eb0d6c7"></a>232 <a·id="aed914841af37671c295d93d63eb0d6c7"·name="aed914841af37671c295d93d63eb0d6c7"></a>
233 <h2·class="memtitle"><span·class="permalink"><a·href="#aed914841af37671c295d93d63eb0d6c7">&#9670;&nbsp;</a></span>CosineTorsion()·<span·class="overload">[1/2]</span></h2>233 <h2·class="memtitle"><span·class="permalink"><a·href="#aed914841af37671c295d93d63eb0d6c7">&#9670;&nbsp;</a></span>CosineTorsion()·<span·class="overload">[1/2]</span></h2>
  
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583 ··</td>583 ··</td>
584 ··<td·class="mlabels-right">584 ··<td·class="mlabels-right">
585 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>585 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
586 ··</tr>586 ··</tr>
587 </table>587 </table>
588 </div><div·class="memdoc">588 </div><div·class="memdoc">
  
589 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0c/a00788_source.html#l00231">231</a>·of·file·<a·class="el"·href="../../df/d0c/a00788_source.html">cosineTorsion.h</a>.</p>589 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/de6/a00167_source.html#l00231">231</a>·of·file·<a·class="el"·href="../../dc/de6/a00167_source.html">cosineTorsion.h</a>.</p>
  
590 </div>590 </div>
591 </div>591 </div>
592 <a·id="ad219d1fd45816fbe0266a45c8ab61246"·name="ad219d1fd45816fbe0266a45c8ab61246"></a>592 <a·id="ad219d1fd45816fbe0266a45c8ab61246"·name="ad219d1fd45816fbe0266a45c8ab61246"></a>
593 <h2·class="memtitle"><span·class="permalink"><a·href="#ad219d1fd45816fbe0266a45c8ab61246">&#9670;&nbsp;</a></span>torsion_hash_map_</h2>593 <h2·class="memtitle"><span·class="permalink"><a·href="#ad219d1fd45816fbe0266a45c8ab61246">&#9670;&nbsp;</a></span>torsion_hash_map_</h2>
  
594 <div·class="memitem">594 <div·class="memitem">
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607 ··</td>607 ··</td>
608 ··<td·class="mlabels-right">608 ··<td·class="mlabels-right">
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611 </table>611 </table>
612 </div><div·class="memdoc">612 </div><div·class="memdoc">
  
613 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0c/a00788_source.html#l00235">235</a>·of·file·<a·class="el"·href="../../df/d0c/a00788_source.html">cosineTorsion.h</a>.</p>613 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/de6/a00167_source.html#l00235">235</a>·of·file·<a·class="el"·href="../../dc/de6/a00167_source.html">cosineTorsion.h</a>.</p>
  
614 </div>614 </div>
615 </div>615 </div>
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617 <h2·class="memtitle"><span·class="permalink"><a·href="#a218a6a998a859571df010d82108a9538">&#9670;&nbsp;</a></span>torsions_</h2>617 <h2·class="memtitle"><span·class="permalink"><a·href="#a218a6a998a859571df010d82108a9538">&#9670;&nbsp;</a></span>torsions_</h2>
  
618 <div·class="memitem">618 <div·class="memitem">
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631 ··</td>631 ··</td>
632 ··<td·class="mlabels-right">632 ··<td·class="mlabels-right">
633 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>633 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
634 ··</tr>634 ··</tr>
635 </table>635 </table>
636 </div><div·class="memdoc">636 </div><div·class="memdoc">
  
637 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0c/a00788_source.html#l00233">233</a>·of·file·<a·class="el"·href="../../df/d0c/a00788_source.html">cosineTorsion.h</a>.</p>637 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/de6/a00167_source.html#l00233">233</a>·of·file·<a·class="el"·href="../../dc/de6/a00167_source.html">cosineTorsion.h</a>.</p>
  
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72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::KernelParameterError·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::KernelParameterError·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/d51/a20335_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::QSAR::Exception::KernelParameterError:</div>77 Inheritance·diagram·for·BALL::QSAR::Exception::KernelParameterError:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../db/d63/a05686.png"·usemap="#BALL::QSAR::Exception::KernelParameterError_map"·alt=""/>80 ··<img·src="../../db/d63/a05686.png"·usemap="#BALL::QSAR::Exception::KernelParameterError_map"·alt=""/>
81 ··<map·id="BALL::QSAR::Exception::KernelParameterError_map"·name="BALL::QSAR::Exception::KernelParameterError_map">81 ··<map·id="BALL::QSAR::Exception::KernelParameterError_map"·name="BALL::QSAR::Exception::KernelParameterError_map">
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
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134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·><a·class="el"·href="../../dd/d67/a02230.html">Exception</a>·for·creation·of·a·kernel·with·wrong·parameters·</p>136 <div·class="textblock"><p·><a·class="el"·href="../../dd/d67/a02230.html">Exception</a>·for·creation·of·a·kernel·with·wrong·parameters·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d51/a20335_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../db/d51/a20335_source.html">QSAR/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="af284de6575ddc43587b5a8d7071b42fe"·name="af284de6575ddc43587b5a8d7071b42fe"></a>139 <a·id="af284de6575ddc43587b5a8d7071b42fe"·name="af284de6575ddc43587b5a8d7071b42fe"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#af284de6575ddc43587b5a8d7071b42fe">&#9670;&nbsp;</a></span>KernelParameterError()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#af284de6575ddc43587b5a8d7071b42fe">&#9670;&nbsp;</a></span>KernelParameterError()</h2>
  
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72 <a·href="#pub-attribs">Public·Attributes</a>·&#124;72 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
73 <a·href="../../d2/d6b/a07719.html">List·of·all·members</a>··</div>73 <a·href="../../d2/d6b/a07719.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SetCamera·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SetCamera·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d8/dd0/a01430_source.html">BALL/VIEW/DIALOGS/setCamera.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../dc/d19/a01190_source.html">BALL/VIEW/DIALOGS/setCamera.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::VIEW::SetCamera:</div>79 Inheritance·diagram·for·BALL::VIEW::SetCamera:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../db/d64/a07722.png"·usemap="#BALL::VIEW::SetCamera_map"·alt=""/>82 ··<img·src="../../db/d64/a07722.png"·usemap="#BALL::VIEW::SetCamera_map"·alt=""/>
83 ··<map·id="BALL::VIEW::SetCamera_map"·name="BALL::VIEW::SetCamera_map">83 ··<map·id="BALL::VIEW::SetCamera_map"·name="BALL::VIEW::SetCamera_map">
84 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,148,24"/>84 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,148,24"/>
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102 Public·Attributes</h2></td></tr>102 Public·Attributes</h2></td></tr>
103 <tr·class="memitem:a1dc42c555d8b9704e7b7960c276e0913"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d68/a08218.html">Camera</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a07722.html#a1dc42c555d8b9704e7b7960c276e0913">camera</a></td></tr>103 <tr·class="memitem:a1dc42c555d8b9704e7b7960c276e0913"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d68/a08218.html">Camera</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a07722.html#a1dc42c555d8b9704e7b7960c276e0913">camera</a></td></tr>
104 <tr·class="separator:a1dc42c555d8b9704e7b7960c276e0913"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:a1dc42c555d8b9704e7b7960c276e0913"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 </table>105 </table>
106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
107 <div·class="textblock"><p·>Dialog·to·set·the·camera·to·a·given·value·</p>107 <div·class="textblock"><p·>Dialog·to·set·the·camera·to·a·given·value·</p>
  
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dd0/a01430_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d8/dd0/a01430_source.html">setCamera.h</a>.</p>108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d19/a01190_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../dc/d19/a01190_source.html">setCamera.h</a>.</p>
109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
110 <a·id="a62e59deb2443e1bcd29b799f96537e63"·name="a62e59deb2443e1bcd29b799f96537e63"></a>110 <a·id="a62e59deb2443e1bcd29b799f96537e63"·name="a62e59deb2443e1bcd29b799f96537e63"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#a62e59deb2443e1bcd29b799f96537e63">&#9670;&nbsp;</a></span>SetCamera()</h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#a62e59deb2443e1bcd29b799f96537e63">&#9670;&nbsp;</a></span>SetCamera()</h2>
  
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208 </div>208 </div>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9b1ba56f93d5f2332ce0debc4bc04e32.html">SYSTEM</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
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67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#define-members">Macros</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">fileSystem.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">graphFace.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>75 <code>#include·&lt;list&gt;</code><br·/>
 76 <code>#include·&lt;vector&gt;</code><br·/>
77 </div>77 </div>
78 <p><a·href="../../db/d66/a01721_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../db/d66/a01721_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">79 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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86 Namespaces</h2></td></tr>88 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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89 </table><table·class="memberdecls"> 
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
91 Macros</h2></td></tr> 
92 <tr·class="memitem:a72d2d1fbb3820a5d0bd2c980446dc622"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d66/a01721.html#a72d2d1fbb3820a5d0bd2c980446dc622">BALL_PATH_MAX</a>&#160;&#160;&#160;1023</td></tr> 
93 <tr·class="separator:a72d2d1fbb3820a5d0bd2c980446dc622"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
94 </table>91 </table>
95 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
96 <a·id="a72d2d1fbb3820a5d0bd2c980446dc622"·name="a72d2d1fbb3820a5d0bd2c980446dc622"></a> 
97 <h2·class="memtitle"><span·class="permalink"><a·href="#a72d2d1fbb3820a5d0bd2c980446dc622">&#9670;&nbsp;</a></span>BALL_PATH_MAX</h2> 
  
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101 ········<tr> 
102 ··········<td·class="memname">#define·BALL_PATH_MAX&#160;&#160;&#160;1023</td> 
103 ········</tr> 
104 ······</table> 
105 </div><div·class="memdoc"> 
  
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71 ··<div·class="headertitle"><div·class="title">BALL::PeptideCapProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::PeptideCapProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p>This·processor·adds·ACE-N·and·NME-C·caps·to·proteins.··74 <p>This·processor·adds·ACE-N·and·NME-C·caps·to·proteins.··
75 ·<a·href="../../db/d66/a07010.html#details">More...</a></p>75 ·<a·href="../../db/d66/a07010.html#details">More...</a></p>
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/STRUCTURE/peptideCapProcessor.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d8/d9c/a01733_source.html">BALL/STRUCTURE/peptideCapProcessor.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::PeptideCapProcessor:</div>78 Inheritance·diagram·for·BALL::PeptideCapProcessor:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../db/d66/a07010.png"·usemap="#BALL::PeptideCapProcessor_map"·alt=""/>81 ··<img·src="../../db/d66/a07010.png"·usemap="#BALL::PeptideCapProcessor_map"·alt=""/>
82 ··<map·id="BALL::PeptideCapProcessor_map"·name="BALL::PeptideCapProcessor_map">82 ··<map·id="BALL::PeptideCapProcessor_map"·name="BALL::PeptideCapProcessor_map">
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130 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../d4/d22/a04494.html">Chain</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>130 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·<a·class="el"·href="../../d4/d22/a04494.html">Chain</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
131 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>131 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
132 </table>132 </table>
133 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>133 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
134 <div·class="textblock"><p·>This·processor·adds·ACE-N·and·NME-C·caps·to·proteins.·</p>134 <div·class="textblock"><p·>This·processor·adds·ACE-N·and·NME-C·caps·to·proteins.·</p>
135 <p·><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·adding·caps·to·proteins·</p>135 <p·><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·adding·caps·to·proteins·</p>
  
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a00680_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d4/d9b/a00680_source.html">peptideCapProcessor.h</a>.</p>136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d9c/a01733_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d8/d9c/a01733_source.html">peptideCapProcessor.h</a>.</p>
137 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>137 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
138 <a·id="a1fc13b3c652f95caea4a5b6a8e8b10a9"·name="a1fc13b3c652f95caea4a5b6a8e8b10a9"></a>138 <a·id="a1fc13b3c652f95caea4a5b6a8e8b10a9"·name="a1fc13b3c652f95caea4a5b6a8e8b10a9"></a>
139 <h2·class="memtitle"><span·class="permalink"><a·href="#a1fc13b3c652f95caea4a5b6a8e8b10a9">&#9670;&nbsp;</a></span>PeptideCapProcessor()</h2>139 <h2·class="memtitle"><span·class="permalink"><a·href="#a1fc13b3c652f95caea4a5b6a8e8b10a9">&#9670;&nbsp;</a></span>PeptideCapProcessor()</h2>
  
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
 69 <a·href="#nested-classes">Classes</a>·&#124;
69 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
70 <a·href="#typedef-members">Typedefs</a>··</div> 
71 ··<div·class="headertitle"><div·class="title">complex.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">SESVertex.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/db3/a01751_source.html">BALL/STRUCTURE/graphVertex.h</a>&gt;</code><br·/>
75 <code>#include·&lt;complex&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
76 </div>76 </div>
77 <p><a·href="../../db/d6b/a01853_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../db/d6b/a01853_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
 79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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80 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
81 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table><table·class="memberdecls">88 </table><table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
85 Typedefs</h2></td></tr> 
86 <tr·class="memitem:ae9f52d0eb4d93b3ed3464538a4a96989"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::complex&lt;·BALL_COMPLEX_PRECISION·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ae[·...·truncated·by·diffoscope;·len:·49,·SHA:·c89ae4ac42e5bc3231412ab19fa00e5ce79729bde92551fce6cc95571a5a8e70·...·]></td></tr>90 Functions</h2></td></tr>
 91 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>
 92 <tr·class="memitem:ga7f2b441b0572e857afaa280224707bcb"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga7f2b441b0572e857afaa280224707bcb">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·SESVertex·&amp;sesvertex)</td></tr>
87 <tr·class="separator:ae9f52d0eb4d93b3ed3464538a4a96989"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:ga7f2b441b0572e857afaa280224707bcb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>94 </table>
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92 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.498 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d1/d80/a07383.html">List·of·all·members</a>··</div>71 <a·href="../../d1/d80/a07383.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::TReadLocker&lt;·ReadLockerType,·ReadWriteLockType·&gt;·Class·Template·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TReadLocker&lt;·ReadLockerType,·ReadWriteLockType·&gt;·Class·Template·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../de/db5/a01730_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::TReadLocker&lt;·ReadLockerType,·ReadWriteLockType·&gt;:</div>77 Inheritance·diagram·for·BALL::TReadLocker&lt;·ReadLockerType,·ReadWriteLockType·&gt;:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../db/d6b/a07386.png"·usemap="#BALL::TReadLocker_3C_20ReadLockerType_2C_20ReadWriteLockType_20_3E_map"·alt=""/>80 ··<img·src="../../db/d6b/a07386.png"·usemap="#BALL::TReadLocker_3C_20ReadLockerType_2C_20ReadWriteLockType_20_3E_map"·alt=""/>
81 ··<map·id="BALL::TReadLocker_3C_20ReadLockerType_2C_20ReadWriteLockType_20_3E_map"·name="BALL::TReadLocker_3C_20ReadLockerType_2C_20ReadWriteLockType_20_3E_map">81 ··<map·id="BALL::TReadLocker_3C_20ReadLockerType_2C_20ReadWriteLockType_20_3E_map"·name="BALL::TReadLocker_3C_20ReadLockerType_2C_20ReadWriteLockType_20_3E_map">
82 <area·href="../../de/dda/a20026.html"·alt="ReadLockerType"·shape="rect"·coords="0,0,366,24"/>82 <area·href="../../de/dda/a20026.html"·alt="ReadLockerType"·shape="rect"·coords="0,0,366,24"/>
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90 <tr·class="separator:ae5ae144329a12d9c853aed50a053e8d6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:ae5ae144329a12d9c853aed50a053e8d6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table>91 </table>
92 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>92 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
93 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·<a·class="el"·href="../../de/dda/a20026.html">ReadLockerType</a>,·class·<a·class="el"·href="../../d2/db3/a20030.html">ReadWriteLockType</a>&gt;<br·/>93 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·<a·class="el"·href="../../de/dda/a20026.html">ReadLockerType</a>,·class·<a·class="el"·href="../../d2/db3/a20030.html">ReadWriteLockType</a>&gt;<br·/>
94 class·BALL::TReadLocker&lt;·ReadLockerType,·ReadWriteLockType·&gt;</div><p·>This·class·provides·a·very·thin·wrapper·around·different·mutex·read-locker·types.·As·default,·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·supports·QReadLocker,·but·it·can·be·easily·extended·to·support·the·same·functionality·with·classes·from·boost·or·Intel·Thread·Building·Blocks.</p>94 class·BALL::TReadLocker&lt;·ReadLockerType,·ReadWriteLockType·&gt;</div><p·>This·class·provides·a·very·thin·wrapper·around·different·mutex·read-locker·types.·As·default,·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·supports·QReadLocker,·but·it·can·be·easily·extended·to·support·the·same·functionality·with·classes·from·boost·or·Intel·Thread·Building·Blocks.</p>
95 <p·>A·BALL-mutex·read-locker·needs·to·provide·a·constructor·which·is·called·with·a·pointer·to·a·corresponding·<a·class="el"·href="../../d1/d1e/a07378.html">TReadWriteLock</a>.·Upon·construction,·the·mutex·is·automatically·locked·for·read,·and·is·automatically·unlocked·when·the·mutex·runs·out·of·scope.·</p>95 <p·>A·BALL-mutex·read-locker·needs·to·provide·a·constructor·which·is·called·with·a·pointer·to·a·corresponding·<a·class="el"·href="../../d1/d1e/a07378.html">TReadWriteLock</a>.·Upon·construction,·the·mutex·is·automatically·locked·for·read,·and·is·automatically·unlocked·when·the·mutex·runs·out·of·scope.·</p>
  
96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">mutex.h</a>.</p>96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
97 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>97 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
98 <a·id="ae5ae144329a12d9c853aed50a053e8d6"·name="ae5ae144329a12d9c853aed50a053e8d6"></a>98 <a·id="ae5ae144329a12d9c853aed50a053e8d6"·name="ae5ae144329a12d9c853aed50a053e8d6"></a>
99 <h2·class="memtitle"><span·class="permalink"><a·href="#ae5ae144329a12d9c853aed50a053e8d6">&#9670;&nbsp;</a></span>TReadLocker()</h2>99 <h2·class="memtitle"><span·class="permalink"><a·href="#ae5ae144329a12d9c853aed50a053e8d6">&#9670;&nbsp;</a></span>TReadLocker()</h2>
  
100 <div·class="memitem">100 <div·class="memitem">
101 <div·class="memproto">101 <div·class="memproto">
102 <div·class="memtemplate">102 <div·class="memtemplate">
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118 ··</td>118 ··</td>
119 ··<td·class="mlabels-right">119 ··<td·class="mlabels-right">
120 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>120 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
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124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00124">124</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">mutex.h</a>.</p>124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00124">124</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
  
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126 </div>126 </div>
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130 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4130 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
73 <a·href="../../db/de7/a06407.html">List·of·all·members</a>··</div>73 <a·href="../../db/de7/a06407.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::PLPScoring·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::PLPScoring·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../de/d25/a00290_source.html">BALL/SCORING/FUNCTIONS/PLPScoring.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d7/d98/a02003_source.html">BALL/SCORING/FUNCTIONS/PLPScoring.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::PLPScoring:</div>79 Inheritance·diagram·for·BALL::PLPScoring:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../db/d70/a06410.png"·usemap="#BALL::PLPScoring_map"·alt=""/>82 ··<img·src="../../db/d70/a06410.png"·usemap="#BALL::PLPScoring_map"·alt=""/>
83 ··<map·id="BALL::PLPScoring_map"·name="BALL::PLPScoring_map">83 ··<map·id="BALL::PLPScoring_map"·name="BALL::PLPScoring_map">
84 <area·href="../../d0/d64/a06166.html"·alt="BALL::ScoringFunction"·shape="rect"·coords="0,0,142,24"/>84 <area·href="../../d0/d64/a06166.html"·alt="BALL::ScoringFunction"·shape="rect"·coords="0,0,142,24"/>
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406 <tr·class="inherit_header·pub_static_attribs_a06166"><td·colspan="2"·onclick="javascript:toggleInherit('pub_static_attribs_a06166')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Public·Attributes·inherited·from·<a·class="el"·href="../../d0/d64/a06166.html">BALL::ScoringFunction</a></td></tr>406 <tr·class="inherit_header·pub_static_attribs_a06166"><td·colspan="2"·onclick="javascript:toggleInherit('pub_static_attribs_a06166')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Public·Attributes·inherited·from·<a·class="el"·href="../../d0/d64/a06166.html">BALL::ScoringFunction</a></td></tr>
407 <tr·class="memitem:a2df2601043e50488cb2f20981a4604d8·inherit·pub_static_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a2df2601043e50488cb2f20981a4604d8">SUBCATEGORY_NAME</a></td></tr>407 <tr·class="memitem:a2df2601043e50488cb2f20981a4604d8·inherit·pub_static_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a2df2601043e50488cb2f20981a4604d8">SUBCATEGORY_NAME</a></td></tr>
408 <tr·class="separator:a2df2601043e50488cb2f20981a4604d8·inherit·pub_static_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>408 <tr·class="separator:a2df2601043e50488cb2f20981a4604d8·inherit·pub_static_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
409 </table>409 </table>
410 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>410 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
411 <div·class="textblock"><p·><a·class="el"·href="../../d0/d64/a06166.html">ScoringFunction</a>·using·a·grid-based·version·of·Piecewise·Linear·Potential·</p>411 <div·class="textblock"><p·><a·class="el"·href="../../d0/d64/a06166.html">ScoringFunction</a>·using·a·grid-based·version·of·Piecewise·Linear·Potential·</p>
  
412 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d25/a00290_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../de/d25/a00290_source.html">PLPScoring.h</a>.</p>412 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d98/a02003_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d7/d98/a02003_source.html">PLPScoring.h</a>.</p>
413 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>413 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
414 <a·id="adae61def471e6af1d71fdd7e13171ec5"·name="adae61def471e6af1d71fdd7e13171ec5"></a>414 <a·id="adae61def471e6af1d71fdd7e13171ec5"·name="adae61def471e6af1d71fdd7e13171ec5"></a>
415 <h2·class="memtitle"><span·class="permalink"><a·href="#adae61def471e6af1d71fdd7e13171ec5">&#9670;&nbsp;</a></span>PLPScoring()·<span·class="overload">[1/2]</span></h2>415 <h2·class="memtitle"><span·class="permalink"><a·href="#adae61def471e6af1d71fdd7e13171ec5">&#9670;&nbsp;</a></span>PLPScoring()·<span·class="overload">[1/2]</span></h2>
  
416 <div·class="memitem">416 <div·class="memitem">
417 <div·class="memproto">417 <div·class="memproto">
418 ······<table·class="memname">418 ······<table·class="memname">
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629 ··</td>629 ··</td>
630 ··<td·class="mlabels-right">630 ··<td·class="mlabels-right">
631 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>631 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
632 ··</tr>632 ··</tr>
633 </table>633 </table>
634 </div><div·class="memdoc">634 </div><div·class="memdoc">
  
635 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d25/a00290_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../de/d25/a00290_source.html">PLPScoring.h</a>.</p>635 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d98/a02003_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d7/d98/a02003_source.html">PLPScoring.h</a>.</p>
  
636 </div>636 </div>
637 </div>637 </div>
638 </div><!--·contents·-->638 </div><!--·contents·-->
639 <!--·start·footer·part·-->639 <!--·start·footer·part·-->
640 <hr·class="footer"/><address·class="footer"><small>640 <hr·class="footer"/><address·class="footer"><small>
641 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4641 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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8 <title>BALL:·lightSettings.h·File·Reference</title>8 <title>BALL:·rendering.doc·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath"> 
63 ··<ul> 
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul> 
65 </div> 
66 </div><!--·top·-->62 </div><!--·top·-->
67 <div·class="header">63 <div·class="header">
68 ··<div·class="summary"> 
69 <a·href="#nested-classes">Classes</a>·&#124; 
70 <a·href="#namespaces">Namespaces</a>··</div> 
71 ··<div·class="headertitle"><div·class="title">lightSettings.h·File·Reference</div></div>64 ··<div·class="headertitle"><div·class="title">rendering.doc·File·Reference</div></div>
72 </div><!--header-->65 </div><!--header-->
73 <div·class="contents">66 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../db/dad/a01616_source.html">BALL/CONCEPT/embeddable.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d6/dea/a01094_source.html">BALL/VIEW/KERNEL/stage.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;BALL/VIEW/UIC/ui_lightSettings.h&gt;</code><br·/> 
79 </div> 
80 <p><a·href="../../db/d78/a01427_source.html">Go·to·the·source·code·of·this·file.</a></p> 
81 <table·class="memberdecls"> 
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
83 Classes</h2></td></tr> 
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d8c/a07630.html">BALL::VIEW::LightSettings</a></td></tr> 
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
86 </table><table·class="memberdecls"> 
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
88 Namespaces</h2></td></tr> 
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92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 </table> 
94 </div><!--·contents·-->67 </div><!--·contents·-->
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96 <hr·class="footer"/><address·class="footer"><small>69 <hr·class="footer"/><address·class="footer"><small>
97 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.470 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_bdf615705158bdb9ef48f1578bccfd92.html">PYTHON</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c153eaa5b1a7273a1076ed00b51614f.html">EXTENSIONS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">randomEvaluation.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">pyIndexList.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d44/a00527_source.html">BALL/DOCKING/COMMON/conformationSet.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d0/d36/a01916_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d9/dd6/a00272_source.html">BALL/SCORING/FUNCTIONS/energeticEvaluation.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;vector&gt;</code><br·/> 
78 </div>76 </div>
79 <p><a·href="../../db/d7b/a00296_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../db/d7b/a00296_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">78 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>80 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db0/a06414.html">BALL::RandomEvaluation</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d27/a05574.html">BALL::PyIndexList</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table><table·class="memberdecls">83 </table><table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
87 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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70 <a·href="#pub-slots">Public·Slots</a>·&#124;70 <a·href="#pub-slots">Public·Slots</a>·&#124;
71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="../../d7/df5/a07635.html">List·of·all·members</a>··</div>72 <a·href="../../d7/df5/a07635.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MaterialSettings·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MaterialSettings·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../de/d70/a01415_source.html">BALL/VIEW/DIALOGS/materialSettings.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d3/d0b/a01253_source.html">BALL/VIEW/DIALOGS/materialSettings.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::MaterialSettings:</div>78 Inheritance·diagram·for·BALL::VIEW::MaterialSettings:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../db/d7b/a07638.png"·usemap="#BALL::VIEW::MaterialSettings_map"·alt=""/>81 ··<img·src="../../db/d7b/a07638.png"·usemap="#BALL::VIEW::MaterialSettings_map"·alt=""/>
82 ··<map·id="BALL::VIEW::MaterialSettings_map"·name="BALL::VIEW::MaterialSettings_map">82 ··<map·id="BALL::VIEW::MaterialSettings_map"·name="BALL::VIEW::MaterialSettings_map">
83 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,186,24"/>83 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,186,24"/>
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211 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>211 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
212 </table>212 </table>
213 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>213 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
214 <div·class="textblock"><p·>Dialog·for·setting·the·Material,·which·is·added·to·the·<a·class="el"·href="../../dc/da1/a07694.html">Preferences</a>.·This·dialog·allows·the·control·of·the·Materials·of·a·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a>.·Materials·can·be·added,·removed·and·adjusted.·</p>214 <div·class="textblock"><p·>Dialog·for·setting·the·Material,·which·is·added·to·the·<a·class="el"·href="../../dc/da1/a07694.html">Preferences</a>.·This·dialog·allows·the·control·of·the·Materials·of·a·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a>.·Materials·can·be·added,·removed·and·adjusted.·</p>
  
215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d70/a01415_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../de/d70/a01415_source.html">materialSettings.h</a>.</p>215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d0b/a01253_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d3/d0b/a01253_source.html">materialSettings.h</a>.</p>
216 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>216 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
217 <a·id="a53bb45fbee8b7c2ac9eb84851767c172"·name="a53bb45fbee8b7c2ac9eb84851767c172"></a>217 <a·id="a53bb45fbee8b7c2ac9eb84851767c172"·name="a53bb45fbee8b7c2ac9eb84851767c172"></a>
218 <h2·class="memtitle"><span·class="permalink"><a·href="#a53bb45fbee8b7c2ac9eb84851767c172">&#9670;&nbsp;</a></span>MaterialSettings()</h2>218 <h2·class="memtitle"><span·class="permalink"><a·href="#a53bb45fbee8b7c2ac9eb84851767c172">&#9670;&nbsp;</a></span>MaterialSettings()</h2>
  
219 <div·class="memitem">219 <div·class="memitem">
220 <div·class="memproto">220 <div·class="memproto">
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273 ··</tr>273 ··</tr>
274 </table>274 </table>
275 </div><div·class="memdoc">275 </div><div·class="memdoc">
  
276 <p>Destructor.·</p>276 <p>Destructor.·</p>
  
277 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d70/a01415_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../de/d70/a01415_source.html">materialSettings.h</a>.</p>277 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d0b/a01253_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d3/d0b/a01253_source.html">materialSettings.h</a>.</p>
  
278 </div>278 </div>
279 </div>279 </div>
280 <h2·class="groupheader">Member·Function·Documentation</h2>280 <h2·class="groupheader">Member·Function·Documentation</h2>
281 <a·id="ae70c0b59ef8ea781b3b2385d4a210e8b"·name="ae70c0b59ef8ea781b3b2385d4a210e8b"></a>281 <a·id="ae70c0b59ef8ea781b3b2385d4a210e8b"·name="ae70c0b59ef8ea781b3b2385d4a210e8b"></a>
282 <h2·class="memtitle"><span·class="permalink"><a·href="#ae70c0b59ef8ea781b3b2385d4a210e8b">&#9670;&nbsp;</a></span>ambientFactorChanged</h2>282 <h2·class="memtitle"><span·class="permalink"><a·href="#ae70c0b59ef8ea781b3b2385d4a210e8b">&#9670;&nbsp;</a></span>ambientFactorChanged</h2>
  
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../d4/d27/a05855.html">List·of·all·members</a>··</div>72 <a·href="../../d4/d27/a05855.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::RingPerceptionProcessor::PathMessage_·Struct·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::RingPerceptionProcessor::PathMessage_·Struct·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d2/dea/a02057_source.html">BALL/QSAR/ringPerceptionProcessor.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d3/d29/a00419_source.html">BALL/QSAR/ringPerceptionProcessor.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a409999c0c74132d6305be69e6574031c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d7c/a05858.html#a409999c0c74132d6305be69e6574031c">push</a>·(<a·class="el"·href="../../d3/d41/a07190.html">EdgeItem</a>&lt;·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>,·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·&gt;·*bond,·<a·class="el"·href="../../d3/d9f/a05854.html">TNode_</a>·*node)</td></tr>80 <tr·class="memitem:a409999c0c74132d6305be69e6574031c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d7c/a05858.html#a409999c0c74132d6305be69e6574031c">push</a>·(<a·class="el"·href="../../d3/d41/a07190.html">EdgeItem</a>&lt;·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>,·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·&gt;·*bond,·<a·class="el"·href="../../d3/d9f/a05854.html">TNode_</a>·*node)</td></tr>
81 <tr·class="separator:a409999c0c74132d6305be69e6574031c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a409999c0c74132d6305be69e6574031c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
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93 <tr·class="memitem:a8bf97f1abed9f64c08f2a49511abc7f3"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d41/a07190.html">EdgeItem</a>&lt;·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>,·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d7c/a05858.html#a8bf97f1abed9f64c08f2a49511abc7f3">efirst</a></td></tr>93 <tr·class="memitem:a8bf97f1abed9f64c08f2a49511abc7f3"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d41/a07190.html">EdgeItem</a>&lt;·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>,·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d7c/a05858.html#a8bf97f1abed9f64c08f2a49511abc7f3">efirst</a></td></tr>
94 <tr·class="memdesc:a8bf97f1abed9f64c08f2a49511abc7f3"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">pointer·to·the·first·edge·of·the·message·path··<a·href="../../db/d7c/a05858.html#a8bf97f1abed9f64c08f2a49511abc7f3">More...</a><br·/></td></tr>94 <tr·class="memdesc:a8bf97f1abed9f64c08f2a49511abc7f3"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">pointer·to·the·first·edge·of·the·message·path··<a·href="../../db/d7c/a05858.html#a8bf97f1abed9f64c08f2a49511abc7f3">More...</a><br·/></td></tr>
95 <tr·class="separator:a8bf97f1abed9f64c08f2a49511abc7f3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:a8bf97f1abed9f64c08f2a49511abc7f3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table>96 </table>
97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
98 <div·class="textblock">98 <div·class="textblock">
99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dea/a02057_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../d2/dea/a02057_source.html">ringPerceptionProcessor.h</a>.</p>99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">ringPerceptionProcessor.h</a>.</p>
100 </div><h2·class="groupheader">Member·Function·Documentation</h2>100 </div><h2·class="groupheader">Member·Function·Documentation</h2>
101 <a·id="a409999c0c74132d6305be69e6574031c"·name="a409999c0c74132d6305be69e6574031c"></a>101 <a·id="a409999c0c74132d6305be69e6574031c"·name="a409999c0c74132d6305be69e6574031c"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#a409999c0c74132d6305be69e6574031c">&#9670;&nbsp;</a></span>push()</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#a409999c0c74132d6305be69e6574031c">&#9670;&nbsp;</a></span>push()</h2>
  
103 <div·class="memitem">103 <div·class="memitem">
104 <div·class="memproto">104 <div·class="memproto">
105 ······<table·class="memname">105 ······<table·class="memname">
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136 ········<tr>136 ········<tr>
137 ··········<td·class="memname"><a·class="el"·href="../../d1/d35/a03398.html">BitVector</a>·BALL::RingPerceptionProcessor::PathMessage_::beep</td>137 ··········<td·class="memname"><a·class="el"·href="../../d1/d35/a03398.html">BitVector</a>·BALL::RingPerceptionProcessor::PathMessage_::beep</td>
138 ········</tr>138 ········</tr>
139 ······</table>139 ······</table>
140 </div><div·class="memdoc">140 </div><div·class="memdoc">
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dea/a02057_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../d2/dea/a02057_source.html">ringPerceptionProcessor.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">ringPerceptionProcessor.h</a>.</p>
  
142 </div>142 </div>
143 </div>143 </div>
144 <a·id="a8bf97f1abed9f64c08f2a49511abc7f3"·name="a8bf97f1abed9f64c08f2a49511abc7f3"></a>144 <a·id="a8bf97f1abed9f64c08f2a49511abc7f3"·name="a8bf97f1abed9f64c08f2a49511abc7f3"></a>
145 <h2·class="memtitle"><span·class="permalink"><a·href="#a8bf97f1abed9f64c08f2a49511abc7f3">&#9670;&nbsp;</a></span>efirst</h2>145 <h2·class="memtitle"><span·class="permalink"><a·href="#a8bf97f1abed9f64c08f2a49511abc7f3">&#9670;&nbsp;</a></span>efirst</h2>
  
146 <div·class="memitem">146 <div·class="memitem">
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153 ··········<td·class="memname"><a·class="el"·href="../../d3/d41/a07190.html">EdgeItem</a>&lt;<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>,·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>&gt;*·BALL::RingPerceptionProcessor::PathMessage_::efirst</td>153 ··········<td·class="memname"><a·class="el"·href="../../d3/d41/a07190.html">EdgeItem</a>&lt;<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>,·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>&gt;*·BALL::RingPerceptionProcessor::PathMessage_::efirst</td>
154 ········</tr>154 ········</tr>
155 ······</table>155 ······</table>
156 </div><div·class="memdoc">156 </div><div·class="memdoc">
  
157 <p>pointer·to·the·first·edge·of·the·message·path·</p>157 <p>pointer·to·the·first·edge·of·the·message·path·</p>
  
158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dea/a02057_source.html#l00134">134</a>·of·file·<a·class="el"·href="../../d2/dea/a02057_source.html">ringPerceptionProcessor.h</a>.</p>158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00134">134</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">ringPerceptionProcessor.h</a>.</p>
  
159 </div>159 </div>
160 </div>160 </div>
161 <a·id="a41f2d1a10efaf4c62e0495b0441d30b9"·name="a41f2d1a10efaf4c62e0495b0441d30b9"></a>161 <a·id="a41f2d1a10efaf4c62e0495b0441d30b9"·name="a41f2d1a10efaf4c62e0495b0441d30b9"></a>
162 <h2·class="memtitle"><span·class="permalink"><a·href="#a41f2d1a10efaf4c62e0495b0441d30b9">&#9670;&nbsp;</a></span>nfirst</h2>162 <h2·class="memtitle"><span·class="permalink"><a·href="#a41f2d1a10efaf4c62e0495b0441d30b9">&#9670;&nbsp;</a></span>nfirst</h2>
  
163 <div·class="memitem">163 <div·class="memitem">
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171 ··········<td·class="memname"><a·class="el"·href="../../d3/d9f/a05854.html">TNode_</a>*·BALL::RingPerceptionProcessor::PathMessage_::nfirst</td>171 ··········<td·class="memname"><a·class="el"·href="../../d3/d9f/a05854.html">TNode_</a>*·BALL::RingPerceptionProcessor::PathMessage_::nfirst</td>
172 ········</tr>172 ········</tr>
173 ······</table>173 ······</table>
174 </div><div·class="memdoc">174 </div><div·class="memdoc">
  
175 <p>pointer·to·the·first·node·this·message·was·sent·from·</p>175 <p>pointer·to·the·first·node·this·message·was·sent·from·</p>
  
176 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dea/a02057_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d2/dea/a02057_source.html">ringPerceptionProcessor.h</a>.</p>176 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">ringPerceptionProcessor.h</a>.</p>
  
177 </div>177 </div>
178 </div>178 </div>
179 <a·id="a15448fb2dba0f5504492ba273bfcf6fd"·name="a15448fb2dba0f5504492ba273bfcf6fd"></a>179 <a·id="a15448fb2dba0f5504492ba273bfcf6fd"·name="a15448fb2dba0f5504492ba273bfcf6fd"></a>
180 <h2·class="memtitle"><span·class="permalink"><a·href="#a15448fb2dba0f5504492ba273bfcf6fd">&#9670;&nbsp;</a></span>nlast</h2>180 <h2·class="memtitle"><span·class="permalink"><a·href="#a15448fb2dba0f5504492ba273bfcf6fd">&#9670;&nbsp;</a></span>nlast</h2>
  
181 <div·class="memitem">181 <div·class="memitem">
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187 ······<table·class="memname">187 ······<table·class="memname">
188 ········<tr>188 ········<tr>
189 ··········<td·class="memname"><a·class="el"·href="../../d3/d9f/a05854.html">TNode_</a>*·BALL::RingPerceptionProcessor::PathMessage_::nlast</td>189 ··········<td·class="memname"><a·class="el"·href="../../d3/d9f/a05854.html">TNode_</a>*·BALL::RingPerceptionProcessor::PathMessage_::nlast</td>
190 ········</tr>190 ········</tr>
191 ······</table>191 ······</table>
192 </div><div·class="memdoc">192 </div><div·class="memdoc">
  
193 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dea/a02057_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../d2/dea/a02057_source.html">ringPerceptionProcessor.h</a>.</p>193 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">ringPerceptionProcessor.h</a>.</p>
  
194 </div>194 </div>
195 </div>195 </div>
196 </div><!--·contents·-->196 </div><!--·contents·-->
197 <!--·start·footer·part·-->197 <!--·start·footer·part·-->
198 <hr·class="footer"/><address·class="footer"><small>198 <hr·class="footer"/><address·class="footer"><small>
199 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4199 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../dc/d58/a03383.html">List·of·all·members</a>··</div>70 <a·href="../../dc/d58/a03383.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::XDRPersistenceManager·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::XDRPersistenceManager·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../df/dee/a01646_source.html">BALL/CONCEPT/XDRPersistenceManager.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d3/d00/a00785_source.html">BALL/CONCEPT/XDRPersistenceManager.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::XDRPersistenceManager:</div>76 Inheritance·diagram·for·BALL::XDRPersistenceManager:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../db/d7d/a03386.png"·usemap="#BALL::XDRPersistenceManager_map"·alt=""/>79 ··<img·src="../../db/d7d/a03386.png"·usemap="#BALL::XDRPersistenceManager_map"·alt=""/>
80 ··<map·id="BALL::XDRPersistenceManager_map"·name="BALL::XDRPersistenceManager_map">80 ··<map·id="BALL::XDRPersistenceManager_map"·name="BALL::XDRPersistenceManager_map">
81 <area·href="../../d7/d2e/a03310.html"·alt="BALL::PersistenceManager"·shape="rect"·coords="0,0,192,24"/>81 <area·href="../../d7/d2e/a03310.html"·alt="BALL::PersistenceManager"·shape="rect"·coords="0,0,192,24"/>
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339 <tr·class="separator:a9adc1a6a25b38375d2edca3168f1bcd7·inherit·pro_attribs_a03310"><td·class="memSeparator"·colspan="2">&#160;</td></tr>339 <tr·class="separator:a9adc1a6a25b38375d2edca3168f1bcd7·inherit·pro_attribs_a03310"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
340 <tr·class="memitem:aef2716c6cb98eec44713fbf7f5052e31·inherit·pro_attribs_a03310"><td·class="memItemLeft"·align="right"·valign="top">::std::istream·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d2e/a03310.html#aef2716c6cb98eec44713fbf7f5052e31">istr_</a></td></tr>340 <tr·class="memitem:aef2716c6cb98eec44713fbf7f5052e31·inherit·pro_attribs_a03310"><td·class="memItemLeft"·align="right"·valign="top">::std::istream·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d2e/a03310.html#aef2716c6cb98eec44713fbf7f5052e31">istr_</a></td></tr>
341 <tr·class="separator:aef2716c6cb98eec44713fbf7f5052e31·inherit·pro_attribs_a03310"><td·class="memSeparator"·colspan="2">&#160;</td></tr>341 <tr·class="separator:aef2716c6cb98eec44713fbf7f5052e31·inherit·pro_attribs_a03310"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
342 </table>342 </table>
343 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>343 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
344 <div·class="textblock"><p·>XDR-format-based·persistence·manager.·This·class·implements·a·persistence·manager·that·reads·and·writes·its·objects·in·a·portable·binary·format.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/dcb/a03370.html">TextPersistenceManager</a>·</dd></dl>344 <div·class="textblock"><p·>XDR-format-based·persistence·manager.·This·class·implements·a·persistence·manager·that·reads·and·writes·its·objects·in·a·portable·binary·format.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/dcb/a03370.html">TextPersistenceManager</a>·</dd></dl>
  
345 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dee/a01646_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../df/dee/a01646_source.html">XDRPersistenceManager.h</a>.</p>345 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d00/a00785_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d3/d00/a00785_source.html">XDRPersistenceManager.h</a>.</p>
346 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>346 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
347 <a·id="a8726ae6b6cca2fecb3b390c389224bfd"·name="a8726ae6b6cca2fecb3b390c389224bfd"></a>347 <a·id="a8726ae6b6cca2fecb3b390c389224bfd"·name="a8726ae6b6cca2fecb3b390c389224bfd"></a>
348 <h2·class="memtitle"><span·class="permalink"><a·href="#a8726ae6b6cca2fecb3b390c389224bfd">&#9670;&nbsp;</a></span>XDRPersistenceManager()·<span·class="overload">[1/4]</span></h2>348 <h2·class="memtitle"><span·class="permalink"><a·href="#a8726ae6b6cca2fecb3b390c389224bfd">&#9670;&nbsp;</a></span>XDRPersistenceManager()·<span·class="overload">[1/4]</span></h2>
  
349 <div·class="memitem">349 <div·class="memitem">
350 <div·class="memproto">350 <div·class="memproto">
351 ······<table·class="memname">351 ······<table·class="memname">
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2029 ··<td·class="mlabels-right">2029 ··<td·class="mlabels-right">
2030 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>2030 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
2031 ··</tr>2031 ··</tr>
2032 </table>2032 </table>
2033 </div><div·class="memdoc">2033 </div><div·class="memdoc">
2034 <p·>A·constant·value·used·to·mark·the·beginning·of·an·object·</p>2034 <p·>A·constant·value·used·to·mark·the·beginning·of·an·object·</p>
  
2035 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dee/a01646_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../df/dee/a01646_source.html">XDRPersistenceManager.h</a>.</p>2035 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d00/a00785_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d3/d00/a00785_source.html">XDRPersistenceManager.h</a>.</p>
  
2036 </div>2036 </div>
2037 </div>2037 </div>
2038 <a·id="afba4d0fd70ddba23bc1ef8fe93008c89"·name="afba4d0fd70ddba23bc1ef8fe93008c89"></a>2038 <a·id="afba4d0fd70ddba23bc1ef8fe93008c89"·name="afba4d0fd70ddba23bc1ef8fe93008c89"></a>
2039 <h2·class="memtitle"><span·class="permalink"><a·href="#afba4d0fd70ddba23bc1ef8fe93008c89">&#9670;&nbsp;</a></span>OBJECT_TRAILER</h2>2039 <h2·class="memtitle"><span·class="permalink"><a·href="#afba4d0fd70ddba23bc1ef8fe93008c89">&#9670;&nbsp;</a></span>OBJECT_TRAILER</h2>
  
2040 <div·class="memitem">2040 <div·class="memitem">
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2054 ··<td·class="mlabels-right">2054 ··<td·class="mlabels-right">
2055 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>2055 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
2056 ··</tr>2056 ··</tr>
2057 </table>2057 </table>
2058 </div><div·class="memdoc">2058 </div><div·class="memdoc">
2059 <p·>A·constant·value·used·to·mark·the·end·of·an·object·</p>2059 <p·>A·constant·value·used·to·mark·the·end·of·an·object·</p>
  
2060 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dee/a01646_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../df/dee/a01646_source.html">XDRPersistenceManager.h</a>.</p>2060 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d00/a00785_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d3/d00/a00785_source.html">XDRPersistenceManager.h</a>.</p>
  
2061 </div>2061 </div>
2062 </div>2062 </div>
2063 <a·id="a26e30448fa4d84abe7c8d32df1e0ab46"·name="a26e30448fa4d84abe7c8d32df1e0ab46"></a>2063 <a·id="a26e30448fa4d84abe7c8d32df1e0ab46"·name="a26e30448fa4d84abe7c8d32df1e0ab46"></a>
2064 <h2·class="memtitle"><span·class="permalink"><a·href="#a26e30448fa4d84abe7c8d32df1e0ab46">&#9670;&nbsp;</a></span>STREAM_HEADER</h2>2064 <h2·class="memtitle"><span·class="permalink"><a·href="#a26e30448fa4d84abe7c8d32df1e0ab46">&#9670;&nbsp;</a></span>STREAM_HEADER</h2>
  
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2079 ··<td·class="mlabels-right">2079 ··<td·class="mlabels-right">
2080 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>2080 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
2081 ··</tr>2081 ··</tr>
2082 </table>2082 </table>
2083 </div><div·class="memdoc">2083 </div><div·class="memdoc">
2084 <p·>A·constant·value·used·to·mark·the·beginning·of·a·persistent·stream·</p>2084 <p·>A·constant·value·used·to·mark·the·beginning·of·a·persistent·stream·</p>
  
2085 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dee/a01646_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../df/dee/a01646_source.html">XDRPersistenceManager.h</a>.</p>2085 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d00/a00785_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d3/d00/a00785_source.html">XDRPersistenceManager.h</a>.</p>
  
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2087 </div>2087 </div>
2088 <a·id="a7b79054b4887e2c2a9c4d6d0cb55bf6a"·name="a7b79054b4887e2c2a9c4d6d0cb55bf6a"></a>2088 <a·id="a7b79054b4887e2c2a9c4d6d0cb55bf6a"·name="a7b79054b4887e2c2a9c4d6d0cb55bf6a"></a>
2089 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b79054b4887e2c2a9c4d6d0cb55bf6a">&#9670;&nbsp;</a></span>STREAM_TRAILER</h2>2089 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b79054b4887e2c2a9c4d6d0cb55bf6a">&#9670;&nbsp;</a></span>STREAM_TRAILER</h2>
  
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2104 ··<td·class="mlabels-right">2104 ··<td·class="mlabels-right">
2105 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>2105 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
2106 ··</tr>2106 ··</tr>
2107 </table>2107 </table>
2108 </div><div·class="memdoc">2108 </div><div·class="memdoc">
2109 <p·>A·constant·value·used·to·mark·the·end·of·a·persistent·stream·</p>2109 <p·>A·constant·value·used·to·mark·the·end·of·a·persistent·stream·</p>
  
2110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dee/a01646_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../df/dee/a01646_source.html">XDRPersistenceManager.h</a>.</p>2110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d00/a00785_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d3/d00/a00785_source.html">XDRPersistenceManager.h</a>.</p>
  
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61 </div>61 </div>
  
 62 <div·id="nav-path"·class="navpath">
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 64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
 65 </div>
62 </div><!--·top·-->66 </div><!--·top·-->
63 <div·class="header">67 <div·class="header">
 68 ··<div·class="summary">
 69 <a·href="#nested-classes">Classes</a>·&#124;
 70 <a·href="#namespaces">Namespaces</a>··</div>
64 ··<div·class="headertitle"><div·class="title">system.doc·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">solventExcludedSurface.h·File·Reference</div></div>
65 </div><!--header-->72 </div><!--header-->
66 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d78/a01745_source.html">BALL/STRUCTURE/SESEdge.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d9/dd5/a01886_source.html">BALL/STRUCTURE/SESFace.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../db/d6b/a01853_source.html">BALL/STRUCTURE/SESVertex.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/STRUCTURE/reducedSurface.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../df/da9/a00263_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../db/dc3/a00284_source.html">BALL/MATHS/circle3.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a00293_source.html">BALL/MATHS/sphere3.h</a>&gt;</code><br·/>
 81 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d9/d01/a00227_source.html">BALL/MATHS/vector4.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../df/d9e/a00686_source.html">BALL/DATATYPE/hashGrid.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;vector&gt;</code><br·/>
 86 <code>#include·&lt;list&gt;</code><br·/>
 87 </div>
 88 <p><a·href="../../db/d7f/a01718_source.html">Go·to·the·source·code·of·this·file.</a></p>
 89 <table·class="memberdecls">
 90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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 92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d12/a07270.html">BALL::SolventExcludedSurface</a></td></tr>
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 94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d94/a07274.html">BALL::SESComputer</a></td></tr>
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 97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dd6/a07282.html">BALL::SESSingularityCleaner::ProbeIntersection</a></td></tr>
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 100 </table><table·class="memberdecls">
 101 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
 102 Namespaces</h2></td></tr>
 103 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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 105 </table><table·class="memberdecls">
 106 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 107 Functions</h2></td></tr>
 108 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>
 109 <tr·class="memitem:gad18ab80a00212b9793f759996c0e6ea4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gad18ab80a00212b9793f759996c0e6ea4">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·SolventExcludedSurface·&amp;ses)</td></tr>
 110 <tr·class="separator:gad18ab80a00212b9793f759996c0e6ea4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 111 </table>
67 </div><!--·contents·-->112 </div><!--·contents·-->
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69 <hr·class="footer"/><address·class="footer"><small>114 <hr·class="footer"/><address·class="footer"><small>
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72 ··<div·class="headertitle"><div·class="title">BALL::Exception::TooManyErrors·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::TooManyErrors·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·too·many·errors·occur,·e.g.·in·<a·class="el"·href="../../d9/d65/a05074.html">ForceField</a>.··75 <p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·too·many·errors·occur,·e.g.·in·<a·class="el"·href="../../d9/d65/a05074.html">ForceField</a>.··
76 ·<a·href="../../db/d7f/a03150.html#details">More...</a></p>76 ·<a·href="../../db/d7f/a03150.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::Exception::TooManyErrors:</div>79 Inheritance·diagram·for·BALL::Exception::TooManyErrors:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../db/d7f/a03150.png"·usemap="#BALL::Exception::TooManyErrors_map"·alt=""/>82 ··<img·src="../../db/d7f/a03150.png"·usemap="#BALL::Exception::TooManyErrors_map"·alt=""/>
83 ··<map·id="BALL::Exception::TooManyErrors_map"·name="BALL::Exception::TooManyErrors_map">83 ··<map·id="BALL::Exception::TooManyErrors_map"·name="BALL::Exception::TooManyErrors_map">
84 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>84 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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135 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>135 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
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137 </table>137 </table>
138 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>138 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
139 <div·class="textblock"><p·><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·too·many·errors·occur,·e.g.·in·<a·class="el"·href="../../d9/d65/a05074.html">ForceField</a>.·</p>139 <div·class="textblock"><p·><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·too·many·errors·occur,·e.g.·in·<a·class="el"·href="../../d9/d65/a05074.html">ForceField</a>.·</p>
  
140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00427">427</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00427">427</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
141 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>141 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
142 <a·id="a8f393fd7d1117e6a0da52d2497d4fbe4"·name="a8f393fd7d1117e6a0da52d2497d4fbe4"></a>142 <a·id="a8f393fd7d1117e6a0da52d2497d4fbe4"·name="a8f393fd7d1117e6a0da52d2497d4fbe4"></a>
143 <h2·class="memtitle"><span·class="permalink"><a·href="#a8f393fd7d1117e6a0da52d2497d4fbe4">&#9670;&nbsp;</a></span>TooManyErrors()</h2>143 <h2·class="memtitle"><span·class="permalink"><a·href="#a8f393fd7d1117e6a0da52d2497d4fbe4">&#9670;&nbsp;</a></span>TooManyErrors()</h2>
  
144 <div·class="memitem">144 <div·class="memitem">
145 <div·class="memproto">145 <div·class="memproto">
146 ······<table·class="memname">146 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../d1/d16/a07463.html">List·of·all·members</a>··</div>71 <a·href="../../d1/d16/a07463.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorUnit·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../dd/d14/a02201.html">Format·conversion·classes·used·by·the·color·classes</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorUnit·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../dd/d14/a02201.html">Format·conversion·classes·used·by·the·color·classes</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d0/deb/a01508_source.html">BALL/VIEW/DATATYPE/colorUnit.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d3/da4/a01343_source.html">BALL/VIEW/DATATYPE/colorUnit.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
78 Classes</h2></td></tr>78 Classes</h2></td></tr>
79 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dd6/a07470.html">NotInHexFormat</a></td></tr>79 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dd6/a07470.html">NotInHexFormat</a></td></tr>
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233 <tr·class="separator:abe0ca33f7e6c8d93f9df4428ab31d69b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>233 <tr·class="separator:abe0ca33f7e6c8d93f9df4428ab31d69b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
234 <tr·class="memitem:a1f9e86e4043584661573083b82eb2c28"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d86/a07466.html#a1f9e86e4043584661573083b82eb2c28">operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·&amp;color_unit)</td></tr>234 <tr·class="memitem:a1f9e86e4043584661573083b82eb2c28"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d86/a07466.html#a1f9e86e4043584661573083b82eb2c28">operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·&amp;color_unit)</td></tr>
235 <tr·class="separator:a1f9e86e4043584661573083b82eb2c28"><td·class="memSeparator"·colspan="2">&#160;</td></tr>235 <tr·class="separator:a1f9e86e4043584661573083b82eb2c28"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
236 </table>236 </table>
237 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>237 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
238 <div·class="textblock"><p·><a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·class.·An·instance·of·<a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·can·represent·a·value·for·the·red,·green,·blue·and·alpha·component·of·the·class·<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>.·Furthermore·this·class·is·used·for·the·value·and·saturation·component·of·the·class·<a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>.·The·class·handles·the·many·possible·variations·a·color·value·can·be·set·(e.g.·integer,·float,·string·values·can·be·given·as·parameter).·The·integer·values·are·of·range·0-255,·the·float·values·are·of·range·0-1.0·and·the·strings·given·are·in·hex·format·"00"-"FF".·<a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·provides·certain·conversion·functions·as·well,·that·will·convert·its·value·to·the·needed·type.·This·class·is·used·by·the·class·<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·and·<a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>238 <div·class="textblock"><p·><a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·class.·An·instance·of·<a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·can·represent·a·value·for·the·red,·green,·blue·and·alpha·component·of·the·class·<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>.·Furthermore·this·class·is·used·for·the·value·and·saturation·component·of·the·class·<a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>.·The·class·handles·the·many·possible·variations·a·color·value·can·be·set·(e.g.·integer,·float,·string·values·can·be·given·as·parameter).·The·integer·values·are·of·range·0-255,·the·float·values·are·of·range·0-1.0·and·the·strings·given·are·in·hex·format·"00"-"FF".·<a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·provides·certain·conversion·functions·as·well,·that·will·convert·its·value·to·the·needed·type.·This·class·is·used·by·the·class·<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·and·<a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
239 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/deb/a01508_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d0/deb/a01508_source.html">colorUnit.h</a>.</p>239 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da4/a01343_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d3/da4/a01343_source.html">colorUnit.h</a>.</p>
240 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>240 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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242 <h2·class="memtitle"><span·class="permalink"><a·href="#a4906843c0b501c0c94c66fb2c9de50d6">&#9670;&nbsp;</a></span>ColorUnit()·<span·class="overload">[1/13]</span></h2>242 <h2·class="memtitle"><span·class="permalink"><a·href="#a4906843c0b501c0c94c66fb2c9de50d6">&#9670;&nbsp;</a></span>ColorUnit()·<span·class="overload">[1/13]</span></h2>
  
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71 ··<div·class="headertitle"><div·class="title">HBondShiftProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">simpleBase.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d93/a00341_source.html">BALL/KERNEL/PTE.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d9d/a00464_source.html">BALL/QSAR/descriptor.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d2/d9d/a00464_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d3/d00/a00113_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;map&gt;</code><br·/> 
80 </div>75 </div>
81 <p><a·href="../../db/d8e/a00482_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../db/d8e/a00482_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls">77 <table·class="memberdecls">
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89 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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63 ··<ul>63 ··<ul>
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65 </div>65 </div>
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68 ··<div·class="summary">68 ··<div·class="summary">
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71 ··<div·class="headertitle"><div·class="title">testFramework.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">labelModel.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01574_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d47/a01487_source.html">BALL/VIEW/MODELS/modelProcessor.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/dbe/a01706_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../df/d9a/a01715_source.html">BALL/SYSTEM/timer.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../dd/d20/a01772_source.html">BALL/STRUCTURE/geometricProperties.h</a>&gt;</code><br·/>
77 <code>#include·&lt;QtCore/QThread&gt;</code><br·/>77 <code>#include·&lt;QtGui/QFont&gt;</code><br·/>
78 </div>78 </div>
79 <p><a·href="../../db/d8e/a01523_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../db/d8e/a01523_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">80 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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87 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">property.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">shiftModel1D.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d6/d18/a01925_source.html">BALL/DATATYPE/bitVector.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d1/d3a/a01622_source.html">BALL/NMR/spectrum.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d3/da1/a01613_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;iostream&gt;</code><br·/> 
78 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/> 
79 <code>#include·&lt;boost/any.hpp&gt;</code><br·/> 
80 <code>#include·&lt;BALL/CONCEPT/property.iC&gt;</code><br·/> 
81 </div>76 </div>
82 <p><a·href="../../db/d95/a01637_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../db/d95/a01637_source.html">Go·to·the·source·code·of·this·file.</a></p>
83 <table·class="memberdecls">78 <table·class="memberdecls">
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86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d18/a03350.html">BALL::NamedProperty</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9c/a05530.html">BALL::ShiftModel1D</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d67/a03354.html">BALL::PropertyManager</a></td></tr> 
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls">83 </table><table·class="memberdecls">
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92 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table><table·class="memberdecls"> 
96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
97 Typedefs</h2></td></tr> 
98 <tr><td·colspan="2"><div·class="groupHeader">Properties</div></td></tr> 
99 <tr·class="memitem:ae4843e14866ef5d7f02ab0aae29a592e"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::vector&lt;·NamedProperty·&gt;::iterator&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ae4843e14866ef5d7f02ab0aae29a592e">BALL::NamedPropertyIterator</a></td></tr> 
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101 </table>88 </table>
102 </div><!--·contents·-->89 </div><!--·contents·-->
103 <!--·start·footer·part·-->90 <!--·start·footer·part·-->
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../de/d5f/a06579.html">List·of·all·members</a>··</div>71 <a·href="../../de/d5f/a06579.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::FDPB::DielectricSmoothing·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::FDPB::DielectricSmoothing·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/SOLVATION/poissonBoltzmann.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d0/dce/a01946_source.html">BALL/SOLVATION/poissonBoltzmann.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a53536fb87a647e8f8cfed258529ae4ce"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da5/a06582.html#a53536fb87a647e8f8cfed258529ae4ce">NONE</a></td></tr>79 <tr·class="memitem:a53536fb87a647e8f8cfed258529ae4ce"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da5/a06582.html#a53536fb87a647e8f8cfed258529ae4ce">NONE</a></td></tr>
80 <tr·class="separator:a53536fb87a647e8f8cfed258529ae4ce"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a53536fb87a647e8f8cfed258529ae4ce"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a735c7e3fe2cfed047bce6e316b5503f8"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da5/a06582.html#a735c7e3fe2cfed047bce6e316b5503f8">UNIFORM</a></td></tr>81 <tr·class="memitem:a735c7e3fe2cfed047bce6e316b5503f8"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da5/a06582.html#a735c7e3fe2cfed047bce6e316b5503f8">UNIFORM</a></td></tr>
82 <tr·class="separator:a735c7e3fe2cfed047bce6e316b5503f8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a735c7e3fe2cfed047bce6e316b5503f8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:aa362113ac5e173c25ead8e098f335ef6"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da5/a06582.html#aa362113ac5e173c25ead8e098f335ef6">HARMONIC</a></td></tr>83 <tr·class="memitem:aa362113ac5e173c25ead8e098f335ef6"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da5/a06582.html#aa362113ac5e173c25ead8e098f335ef6">HARMONIC</a></td></tr>
84 <tr·class="separator:aa362113ac5e173c25ead8e098f335ef6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:aa362113ac5e173c25ead8e098f335ef6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock"><p·><a·class="el"·href="../../d4/d54/a02218.html">Constants</a>·to·define·the·dielectric·smoothing·methods.·To·increase·the·accuracy·of·a·<a·class="el"·href="../../de/d3f/a06566.html">FDPB</a>·calculation·it·prooved·advantageous·to·smooth·the·discrete·values·for·the·dielectric·constant·on·the·grid.·We·recommend·the·use·of·harmonic·smoothing·(which·happens·to·be·the·default·Default::dielectric_smoothing).·</p>87 <div·class="textblock"><p·><a·class="el"·href="../../d4/d54/a02218.html">Constants</a>·to·define·the·dielectric·smoothing·methods.·To·increase·the·accuracy·of·a·<a·class="el"·href="../../de/d3f/a06566.html">FDPB</a>·calculation·it·prooved·advantageous·to·smooth·the·discrete·values·for·the·dielectric·constant·on·the·grid.·We·recommend·the·use·of·harmonic·smoothing·(which·happens·to·be·the·default·Default::dielectric_smoothing).·</p>
  
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00472">472</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">poissonBoltzmann.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dce/a01946_source.html#l00472">472</a>·of·file·<a·class="el"·href="../../d0/dce/a01946_source.html">poissonBoltzmann.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="aa362113ac5e173c25ead8e098f335ef6"·name="aa362113ac5e173c25ead8e098f335ef6"></a>90 <a·id="aa362113ac5e173c25ead8e098f335ef6"·name="aa362113ac5e173c25ead8e098f335ef6"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#aa362113ac5e173c25ead8e098f335ef6">&#9670;&nbsp;</a></span>HARMONIC</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#aa362113ac5e173c25ead8e098f335ef6">&#9670;&nbsp;</a></span>HARMONIC</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
93 <div·class="memproto">93 <div·class="memproto">
94 <table·class="mlabels">94 <table·class="mlabels">
Offset 112, 15 lines modifiedOffset 112, 15 lines modified
112 <img·class="formulaDsp"·alt="\[112 <img·class="formulaDsp"·alt="\[
113 ····\varepsilon_0·=·\frac{1}{\sum_{i=1}^{26}·\frac{1}{\varepsilon_i}·+·\frac{1}{\varepsilon_0}}113 ····\varepsilon_0·=·\frac{1}{\sum_{i=1}^{26}·\frac{1}{\varepsilon_i}·+·\frac{1}{\varepsilon_0}}
114 \]"·src="../../form_90.png"·width="103"·height="34"/>114 \]"·src="../../form_90.png"·width="103"·height="34"/>
115 </p>115 </p>
116 ·</dd></dl>116 ·</dd></dl>
117 <dl·class="section·user"><dt></dt><dd></dd></dl>117 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00494">494</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">poissonBoltzmann.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dce/a01946_source.html#l00494">494</a>·of·file·<a·class="el"·href="../../d0/dce/a01946_source.html">poissonBoltzmann.h</a>.</p>
  
119 </div>119 </div>
120 </div>120 </div>
121 <a·id="a53536fb87a647e8f8cfed258529ae4ce"·name="a53536fb87a647e8f8cfed258529ae4ce"></a>121 <a·id="a53536fb87a647e8f8cfed258529ae4ce"·name="a53536fb87a647e8f8cfed258529ae4ce"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#a53536fb87a647e8f8cfed258529ae4ce">&#9670;&nbsp;</a></span>NONE</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#a53536fb87a647e8f8cfed258529ae4ce">&#9670;&nbsp;</a></span>NONE</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
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137 ··<td·class="mlabels-right">137 ··<td·class="mlabels-right">
138 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>138 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
139 ··</tr>139 ··</tr>
140 </table>140 </table>
141 </div><div·class="memdoc">141 </div><div·class="memdoc">
142 <p·>Do·not·perform·any·smoothing·</p>142 <p·>Do·not·perform·any·smoothing·</p>
  
143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00476">476</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">poissonBoltzmann.h</a>.</p>143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dce/a01946_source.html#l00476">476</a>·of·file·<a·class="el"·href="../../d0/dce/a01946_source.html">poissonBoltzmann.h</a>.</p>
  
144 </div>144 </div>
145 </div>145 </div>
146 <a·id="a735c7e3fe2cfed047bce6e316b5503f8"·name="a735c7e3fe2cfed047bce6e316b5503f8"></a>146 <a·id="a735c7e3fe2cfed047bce6e316b5503f8"·name="a735c7e3fe2cfed047bce6e316b5503f8"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a735c7e3fe2cfed047bce6e316b5503f8">&#9670;&nbsp;</a></span>UNIFORM</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a735c7e3fe2cfed047bce6e316b5503f8">&#9670;&nbsp;</a></span>UNIFORM</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
Offset 168, 15 lines modifiedOffset 168, 15 lines modified
168 <img·class="formulaDsp"·alt="\[168 <img·class="formulaDsp"·alt="\[
169 ····\varepsilon_0·=·\frac{1}{27}·\left(·\sum_{i=1}^{26}·\varepsilon_i·+·\varepsilon_0·\right)169 ····\varepsilon_0·=·\frac{1}{27}·\left(·\sum_{i=1}^{26}·\varepsilon_i·+·\varepsilon_0·\right)
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>
65 </div>65 </div>
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67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">amiraMeshFile.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">forceFieldComponent.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/dbe/a01706_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/d29/a01895_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>
76 </div>78 </div>
77 <p><a·href="../../db/dab/a00089_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../db/dab/a00089_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">80 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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71 <a·href="#define-members">Macros</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">embeddable.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">haighMallionShiftProcessor.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d9/d17/a01937_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d0/d36/a01916_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;typeinfo&gt;</code><br·/>78 <code>#include·&lt;list&gt;</code><br·/>
79 </div>79 </div>
80 <p><a·href="../../db/dad/a01616_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../db/dad/a01616_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls">81 <table·class="memberdecls">
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
83 Classes</h2></td></tr>83 Classes</h2></td></tr>
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html">BALL::Embeddable</a></td></tr>84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dca/a05498.html">BALL::HaighMallionShiftProcessor</a></td></tr>
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87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
88 Namespaces</h2></td></tr>88 Namespaces</h2></td></tr>
89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls"> 
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
93 Macros</h2></td></tr> 
94 <tr·class="memitem:a3b71888e44546068e37b21d2be0f9e24"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dad/a01616.html#a3b71888e44546068e37b21d2be0f9e24">BALL_EMBEDDABLE</a>(TYPE,··BASE)</td></tr> 
95 <tr·class="separator:a3b71888e44546068e37b21d2be0f9e24"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
96 </table>91 </table>
97 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
98 <a·id="a3b71888e44546068e37b21d2be0f9e24"·name="a3b71888e44546068e37b21d2be0f9e24"></a> 
99 <h2·class="memtitle"><span·class="permalink"><a·href="#a3b71888e44546068e37b21d2be0f9e24">&#9670;&nbsp;</a></span>BALL_EMBEDDABLE</h2> 
  
100 <div·class="memitem"> 
101 <div·class="memproto"> 
102 ······<table·class="memname"> 
103 ········<tr> 
104 ··········<td·class="memname">#define·BALL_EMBEDDABLE</td> 
105 ··········<td>(</td> 
106 ··········<td·class="paramtype">&#160;</td> 
107 ··········<td·class="paramname">TYPE,·</td> 
108 ········</tr> 
109 ········<tr> 
110 ··········<td·class="paramkey"></td> 
111 ··········<td></td> 
112 ··········<td·class="paramtype">&#160;</td> 
113 ··········<td·class="paramname">BASE&#160;</td> 
114 ········</tr> 
115 ········<tr> 
116 ··········<td></td> 
117 ··········<td>)</td> 
118 ··········<td></td><td></td> 
119 ········</tr> 
120 ······</table> 
121 </div><div·class="memdoc"> 
122 <p·>Embeddable·macro.·This·macro·defines·all·methods·required·for·clases·derived·from·Embeddable.·It·should·be·included·in·the·class·definition·of·each·of·these·classes,·even·for·classes·further·down·in·the·inheritance.·The·argument·ist·just·the·class·type,·e.g.·BALL::ModularWidget.·</p> 
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dad/a01616_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../db/dad/a01616_source.html">embeddable.h</a>.</p> 
  
124 </div> 
125 </div> 
126 </div><!--·contents·-->92 </div><!--·contents·-->
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../d3/deb/a06543.html">List·of·all·members</a>··</div>71 <a·href="../../d3/deb/a06543.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PCMCavFreeEnergyProcessor::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PCMCavFreeEnergyProcessor::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/d37/a01754_source.html">BALL/SOLVATION/PCMCavFreeEnergyProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/dff/a01910_source.html">BALL/SOLVATION/PCMCavFreeEnergyProcessor.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a0b35a614e95183f85de6289b001c57f3"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/db0/a06546.html#a0b35a614e95183f85de6289b001c57f3">VERBOSITY</a></td></tr>79 <tr·class="memitem:a0b35a614e95183f85de6289b001c57f3"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/db0/a06546.html#a0b35a614e95183f85de6289b001c57f3">VERBOSITY</a></td></tr>
80 <tr·class="separator:a0b35a614e95183f85de6289b001c57f3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a0b35a614e95183f85de6289b001c57f3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a6f3ff96bef223dc2f85119d09b198e2c"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/db0/a06546.html#a6f3ff96bef223dc2f85119d09b198e2c">SOLVENT_NUMBER_DENSITY</a></td></tr>81 <tr·class="memitem:a6f3ff96bef223dc2f85119d09b198e2c"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/db0/a06546.html#a6f3ff96bef223dc2f85119d09b198e2c">SOLVENT_NUMBER_DENSITY</a></td></tr>
82 <tr·class="separator:a6f3ff96bef223dc2f85119d09b198e2c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a6f3ff96bef223dc2f85119d09b198e2c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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85 <tr·class="separator:a63139e5010fada6e122ab711317677e7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>85 <tr·class="separator:a63139e5010fada6e122ab711317677e7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
86 <tr·class="memitem:ae640609651b49d868e8905ad29352112"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/db0/a06546.html#ae640609651b49d868e8905ad29352112">PROBE_RADIUS</a></td></tr>86 <tr·class="memitem:ae640609651b49d868e8905ad29352112"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/db0/a06546.html#ae640609651b49d868e8905ad29352112">PROBE_RADIUS</a></td></tr>
87 <tr·class="separator:ae640609651b49d868e8905ad29352112"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:ae640609651b49d868e8905ad29352112"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock"><p·>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../d6/d95/a06542.html#a75d095fa80f87e87dd8ec722d0c868a8">PCMCavFreeEnergyProcessor::options</a>.·</p>90 <div·class="textblock"><p·>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../d6/d95/a06542.html#a75d095fa80f87e87dd8ec722d0c868a8">PCMCavFreeEnergyProcessor::options</a>.·</p>
  
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d37/a01754_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d9/d37/a01754_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dff/a01910_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d4/dff/a01910_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>
92 </div><h2·class="groupheader">Member·Data·Documentation</h2>92 </div><h2·class="groupheader">Member·Data·Documentation</h2>
93 <a·id="a63139e5010fada6e122ab711317677e7"·name="a63139e5010fada6e122ab711317677e7"></a>93 <a·id="a63139e5010fada6e122ab711317677e7"·name="a63139e5010fada6e122ab711317677e7"></a>
94 <h2·class="memtitle"><span·class="permalink"><a·href="#a63139e5010fada6e122ab711317677e7">&#9670;&nbsp;</a></span>ABSOLUTE_TEMPERATURE</h2>94 <h2·class="memtitle"><span·class="permalink"><a·href="#a63139e5010fada6e122ab711317677e7">&#9670;&nbsp;</a></span>ABSOLUTE_TEMPERATURE</h2>
  
95 <div·class="memitem">95 <div·class="memitem">
96 <div·class="memproto">96 <div·class="memproto">
97 <table·class="mlabels">97 <table·class="mlabels">
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114 <dl·class="params"><dt>Parameters</dt><dd>114 <dl·class="params"><dt>Parameters</dt><dd>
115 ··<table·class="params">115 ··<table·class="params">
116 ····<tr><td·class="paramname">absolute_temperature</td><td>float;·</td></tr>116 ····<tr><td·class="paramname">absolute_temperature</td><td>float;·</td></tr>
117 ··</table>117 ··</table>
118 ··</dd>118 ··</dd>
119 </dl>119 </dl>
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d37/a01754_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d9/d37/a01754_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dff/a01910_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d4/dff/a01910_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>
  
121 </div>121 </div>
122 </div>122 </div>
123 <a·id="ae640609651b49d868e8905ad29352112"·name="ae640609651b49d868e8905ad29352112"></a>123 <a·id="ae640609651b49d868e8905ad29352112"·name="ae640609651b49d868e8905ad29352112"></a>
124 <h2·class="memtitle"><span·class="permalink"><a·href="#ae640609651b49d868e8905ad29352112">&#9670;&nbsp;</a></span>PROBE_RADIUS</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#ae640609651b49d868e8905ad29352112">&#9670;&nbsp;</a></span>PROBE_RADIUS</h2>
  
125 <div·class="memitem">125 <div·class="memitem">
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145 <dl·class="params"><dt>Parameters</dt><dd>145 <dl·class="params"><dt>Parameters</dt><dd>
146 ··<table·class="params">146 ··<table·class="params">
147 ····<tr><td·class="paramname">probe_radius</td><td>float;·</td></tr>147 ····<tr><td·class="paramname">probe_radius</td><td>float;·</td></tr>
148 ··</table>148 ··</table>
149 ··</dd>149 ··</dd>
150 </dl>150 </dl>
  
151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d37/a01754_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d9/d37/a01754_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dff/a01910_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d4/dff/a01910_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>
  
152 </div>152 </div>
153 </div>153 </div>
154 <a·id="a6f3ff96bef223dc2f85119d09b198e2c"·name="a6f3ff96bef223dc2f85119d09b198e2c"></a>154 <a·id="a6f3ff96bef223dc2f85119d09b198e2c"·name="a6f3ff96bef223dc2f85119d09b198e2c"></a>
155 <h2·class="memtitle"><span·class="permalink"><a·href="#a6f3ff96bef223dc2f85119d09b198e2c">&#9670;&nbsp;</a></span>SOLVENT_NUMBER_DENSITY</h2>155 <h2·class="memtitle"><span·class="permalink"><a·href="#a6f3ff96bef223dc2f85119d09b198e2c">&#9670;&nbsp;</a></span>SOLVENT_NUMBER_DENSITY</h2>
  
156 <div·class="memitem">156 <div·class="memitem">
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176 <dl·class="params"><dt>Parameters</dt><dd>176 <dl·class="params"><dt>Parameters</dt><dd>
177 ··<table·class="params">177 ··<table·class="params">
178 ····<tr><td·class="paramname">solvent_number_density</td><td>float·</td></tr>178 ····<tr><td·class="paramname">solvent_number_density</td><td>float·</td></tr>
179 ··</table>179 ··</table>
180 ··</dd>180 ··</dd>
181 </dl>181 </dl>
  
182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d37/a01754_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d9/d37/a01754_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dff/a01910_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d4/dff/a01910_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>
  
183 </div>183 </div>
184 </div>184 </div>
185 <a·id="a0b35a614e95183f85de6289b001c57f3"·name="a0b35a614e95183f85de6289b001c57f3"></a>185 <a·id="a0b35a614e95183f85de6289b001c57f3"·name="a0b35a614e95183f85de6289b001c57f3"></a>
186 <h2·class="memtitle"><span·class="permalink"><a·href="#a0b35a614e95183f85de6289b001c57f3">&#9670;&nbsp;</a></span>VERBOSITY</h2>186 <h2·class="memtitle"><span·class="permalink"><a·href="#a0b35a614e95183f85de6289b001c57f3">&#9670;&nbsp;</a></span>VERBOSITY</h2>
  
187 <div·class="memitem">187 <div·class="memitem">
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207 <dl·class="params"><dt>Parameters</dt><dd>207 <dl·class="params"><dt>Parameters</dt><dd>
208 ··<table·class="params">208 ··<table·class="params">
209 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>209 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>
210 ··</table>210 ··</table>
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212 </dl>212 </dl>
  
213 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d37/a01754_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d9/d37/a01754_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>213 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dff/a01910_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d4/dff/a01910_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_ad1580e676f9584aa3f77966a7e41e8d.html">AMBER</a></li>··</ul>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
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71 ··<div·class="headertitle"><div·class="title">MOPACOutputFile.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">amberStretch.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d8/d41/a00038_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d7/d00/a00401_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/MOLMEC/COMMON/stretchComponent.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
78 </div>77 </div>
79 <p><a·href="../../db/db2/a00020_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../db/db2/a00020_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">79 <table·class="memberdecls">
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82 Classes</h2></td></tr>81 Classes</h2></td></tr>
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89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 91 Macros</h2></td></tr>
 92 <tr·class="memitem:abed13effad750c4ea7ace62777cbd2f1"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/db2/a00020.html#abed13effad750c4ea7ace62777cbd2f1">AMBER_STRETCH_ENABLED</a>&#160;&#160;&#160;&quot;enable·Stretches&quot;</td></tr>
 93 <tr·class="memdesc:abed13effad750c4ea7ace62777cbd2f1"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·Stretches··<a·href="../../db/db2/a00020.html#abed13effad750c4ea7ace62777cbd2f1">More...</a><br·/></td></tr>
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90 </table>95 </table>
 96 <h2·class="groupheader">Macro·Definition·Documentation</h2>
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 98 <h2·class="memtitle"><span·class="permalink"><a·href="#abed13effad750c4ea7ace62777cbd2f1">&#9670;&nbsp;</a></span>AMBER_STRETCH_ENABLED</h2>
  
 99 <div·class="memitem">
 100 <div·class="memproto">
 101 ······<table·class="memname">
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 103 ··········<td·class="memname">#define·AMBER_STRETCH_ENABLED&#160;&#160;&#160;&quot;enable·Stretches&quot;</td>
 104 ········</tr>
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 107 <p>flag·to·enable·Stretches·</p>
  
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74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d16/a00029_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>
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72 ··<div·class="headertitle"><div·class="title">BALL::Exception::BufferOverflow·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::BufferOverflow·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Exception::BufferOverflow:</div>77 Inheritance·diagram·for·BALL::Exception::BufferOverflow:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../db/dbc/a03114.png"·usemap="#BALL::Exception::BufferOverflow_map"·alt=""/>80 ··<img·src="../../db/dbc/a03114.png"·usemap="#BALL::Exception::BufferOverflow_map"·alt=""/>
81 ··<map·id="BALL::Exception::BufferOverflow_map"·name="BALL::Exception::BufferOverflow_map">81 ··<map·id="BALL::Exception::BufferOverflow_map"·name="BALL::Exception::BufferOverflow_map">
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133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>Buffer·overflow·exception.·<br··/>136 <div·class="textblock"><p·>Buffer·overflow·exception.·<br··/>
137 ·</p>137 ·</p>
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00331">331</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00331">331</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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141 <h2·class="memtitle"><span·class="permalink"><a·href="#ac194547f9e7f98cf98a2a823ab19a305">&#9670;&nbsp;</a></span>BufferOverflow()</h2>141 <h2·class="memtitle"><span·class="permalink"><a·href="#ac194547f9e7f98cf98a2a823ab19a305">&#9670;&nbsp;</a></span>BufferOverflow()</h2>
  
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76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::CharmmConfigurationDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::CharmmConfigurationDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
77 </div><!--header-->77 </div><!--header-->
78 <div·class="contents">78 <div·class="contents">
  
79 <p><code>#include·&lt;<a·class="el"·href="../../d9/de4/a01346_source.html">BALL/VIEW/DIALOGS/charmmConfigurationDialog.h</a>&gt;</code></p>79 <p><code>#include·&lt;<a·class="el"·href="../../da/d20/a01160_source.html">BALL/VIEW/DIALOGS/charmmConfigurationDialog.h</a>&gt;</code></p>
80 <div·class="dynheader">80 <div·class="dynheader">
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82 <div·class="dyncontent">82 <div·class="dyncontent">
83 ·<div·class="center">83 ·<div·class="center">
84 ··<img·src="../../db/dbd/a07546.png"·usemap="#BALL::VIEW::CharmmConfigurationDialog_map"·alt=""/>84 ··<img·src="../../db/dbd/a07546.png"·usemap="#BALL::VIEW::CharmmConfigurationDialog_map"·alt=""/>
85 ··<map·id="BALL::VIEW::CharmmConfigurationDialog_map"·name="BALL::VIEW::CharmmConfigurationDialog_map">85 ··<map·id="BALL::VIEW::CharmmConfigurationDialog_map"·name="BALL::VIEW::CharmmConfigurationDialog_map">
86 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,244,24"/>86 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,244,24"/>
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217 <tr·class="memitem:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d3d/a07926.html#a257b5f0e49b1f24294c315d4d7363693">StackPages</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ab7942bdf4c88f10d41eec3aa452bbed5">stack_pages_</a></td></tr>217 <tr·class="memitem:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d3d/a07926.html#a257b5f0e49b1f24294c315d4d7363693">StackPages</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ab7942bdf4c88f10d41eec3aa452bbed5">stack_pages_</a></td></tr>
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219 </table>219 </table>
220 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>220 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
221 <div·class="textblock"><p·>Dialog·for·changing·the·options·of·the·CHARMM·forcefield·</p>221 <div·class="textblock"><p·>Dialog·for·changing·the·options·of·the·CHARMM·forcefield·</p>
  
222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/de4/a01346_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d9/de4/a01346_source.html">charmmConfigurationDialog.h</a>.</p>222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d20/a01160_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../da/d20/a01160_source.html">charmmConfigurationDialog.h</a>.</p>
223 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>223 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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225 <h2·class="memtitle"><span·class="permalink"><a·href="#ac89f2cb35649ab8c86cf1d543cdc518d">&#9670;&nbsp;</a></span>CharmmConfigurationDialog()</h2>225 <h2·class="memtitle"><span·class="permalink"><a·href="#ac89f2cb35649ab8c86cf1d543cdc518d">&#9670;&nbsp;</a></span>CharmmConfigurationDialog()</h2>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9b1ba56f93d5f2332ce0debc4bc04e32.html">SYSTEM</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">file.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">secondaryStructureProcessor.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/d66/a01721_source.html">BALL/SYSTEM/fileSystem.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d9/d7d/a01880_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d7/dcf/a00845_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>
77 <code>#include·&lt;cstdlib&gt;</code><br·/> 
78 <code>#include·&lt;sys/stat.h&gt;</code><br·/> 
79 <code>#include·&lt;cstdio&gt;</code><br·/>76 <code>#include·&lt;vector&gt;</code><br·/>
80 <code>#include·&lt;algorithm&gt;</code><br·/> 
81 <code>#include·&lt;iostream&gt;</code><br·/> 
82 <code>#include·&lt;fstream&gt;</code><br·/> 
83 <code>#include·&lt;sys/types.h&gt;</code><br·/> 
84 <code>#include·&lt;map&gt;</code><br·/> 
85 <code>#include·&lt;BALL/SYSTEM/file.iC&gt;</code><br·/> 
86 </div>77 </div>
87 <p><a·href="../../db/dbe/a01706_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../db/dbe/a01706_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">79 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7f/a07354.html">BALL::File::CannotWrite</a></td></tr> 
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100 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>
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73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/dd6/a00272_source.html">BALL/SCORING/FUNCTIONS/energeticEvaluation.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
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76 </div>76 </div>
77 <p><a·href="../../db/dc3/a00284_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../db/dc3/a00284_source.html">Go·to·the·source·code·of·this·file.</a></p>
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75 <code>#include·&lt;<a·class="el"·href="../../d9/d1b/a01583_source.html">BALL/VIEW/WIDGETS/genericControl.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d0/df7/a20389_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;QtCore/QPoint&gt;</code><br·/> 
78 <code>#include·&lt;QtWidgets/QMenu&gt;</code><br·/> 
79 </div> 
80 <p><a·href="../../db/dce/a01529_source.html">Go·to·the·source·code·of·this·file.</a></p> 
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72 ··<div·class="headertitle"><div·class="title">BALL::HybridisationProcessor::Elements_·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::HybridisationProcessor::Elements_·Struct·Reference</div></div>
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84 <tr·class="separator:ac5dee4ffe81ede06572edec47ee7b8de"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:ac5dee4ffe81ede06572edec47ee7b8de"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock"><p·>Struct·for·atom·types·and·hybridization·states·</p>87 <div·class="textblock"><p·>Struct·for·atom·types·and·hybridization·states·</p>
  
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00175">175</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">hybridisationProcessor.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00175">175</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="ac5dee4ffe81ede06572edec47ee7b8de"·name="ac5dee4ffe81ede06572edec47ee7b8de"></a>90 <a·id="ac5dee4ffe81ede06572edec47ee7b8de"·name="ac5dee4ffe81ede06572edec47ee7b8de"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#ac5dee4ffe81ede06572edec47ee7b8de">&#9670;&nbsp;</a></span>hyb</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#ac5dee4ffe81ede06572edec47ee7b8de">&#9670;&nbsp;</a></span>hyb</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
93 <div·class="memproto">93 <div·class="memproto">
94 ······<table·class="memname">94 ······<table·class="memname">
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99 ··········<td·class="memname">unsigned·char·BALL::HybridisationProcessor::Elements_::hyb</td>99 ··········<td·class="memname">unsigned·char·BALL::HybridisationProcessor::Elements_::hyb</td>
100 ········</tr>100 ········</tr>
101 ······</table>101 ······</table>
102 </div><div·class="memdoc">102 </div><div·class="memdoc">
  
103 <p>Hybridization·state.·</p>103 <p>Hybridization·state.·</p>
  
104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00180">180</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">hybridisationProcessor.h</a>.</p>104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00180">180</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
  
105 </div>105 </div>
106 </div>106 </div>
107 <a·id="af0bc078deac91f3b689f574dc1c4058e"·name="af0bc078deac91f3b689f574dc1c4058e"></a>107 <a·id="af0bc078deac91f3b689f574dc1c4058e"·name="af0bc078deac91f3b689f574dc1c4058e"></a>
108 <h2·class="memtitle"><span·class="permalink"><a·href="#af0bc078deac91f3b689f574dc1c4058e">&#9670;&nbsp;</a></span>type</h2>108 <h2·class="memtitle"><span·class="permalink"><a·href="#af0bc078deac91f3b689f574dc1c4058e">&#9670;&nbsp;</a></span>type</h2>
  
109 <div·class="memitem">109 <div·class="memitem">
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117 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::HybridisationProcessor::Elements_::type</td>117 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::HybridisationProcessor::Elements_::type</td>
118 ········</tr>118 ········</tr>
119 ······</table>119 ······</table>
120 </div><div·class="memdoc">120 </div><div·class="memdoc">
  
121 <p>The·type.·</p>121 <p>The·type.·</p>
  
122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">hybridisationProcessor.h</a>.</p>122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
  
123 </div>123 </div>
124 </div>124 </div>
125 </div><!--·contents·-->125 </div><!--·contents·-->
126 <!--·start·footer·part·-->126 <!--·start·footer·part·-->
127 <hr·class="footer"/><address·class="footer"><small>127 <hr·class="footer"/><address·class="footer"><small>
128 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4128 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d5/da4/a05727.html">List·of·all·members</a>··</div>70 <a·href="../../d5/da4/a05727.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::KernelModel·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::KernelModel·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../da/dbe/a02084_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../db/d10/a00350_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::QSAR::KernelModel:</div>76 Inheritance·diagram·for·BALL::QSAR::KernelModel:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../db/dd1/a05730.png"·usemap="#BALL::QSAR::KernelModel_map"·alt=""/>79 ··<img·src="../../db/dd1/a05730.png"·usemap="#BALL::QSAR::KernelModel_map"·alt=""/>
80 ··<map·id="BALL::QSAR::KernelModel_map"·name="BALL::QSAR::KernelModel_map">80 ··<map·id="BALL::QSAR::KernelModel_map"·name="BALL::QSAR::KernelModel_map">
81 <area·href="../../d5/d95/a05786.html"·alt="BALL::QSAR::NonLinearModel"·shape="rect"·coords="297,112,485,136"/>81 <area·href="../../d5/d95/a05786.html"·alt="BALL::QSAR::NonLinearModel"·shape="rect"·coords="297,112,485,136"/>
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263 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>263 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>
264 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>264 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
265 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>265 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
266 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>266 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
267 </table>267 </table>
268 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>268 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
269 <div·class="textblock">269 <div·class="textblock">
270 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dbe/a02084_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../da/dbe/a02084_source.html">kernelModel.h</a>.</p>270 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d10/a00350_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../db/d10/a00350_source.html">kernelModel.h</a>.</p>
271 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>271 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
272 <a·id="a2383b9456dbc33d42fec7b7c9cd92a12"·name="a2383b9456dbc33d42fec7b7c9cd92a12"></a>272 <a·id="a2383b9456dbc33d42fec7b7c9cd92a12"·name="a2383b9456dbc33d42fec7b7c9cd92a12"></a>
273 <h2·class="memtitle"><span·class="permalink"><a·href="#a2383b9456dbc33d42fec7b7c9cd92a12">&#9670;&nbsp;</a></span>KernelModel()·<span·class="overload">[1/4]</span></h2>273 <h2·class="memtitle"><span·class="permalink"><a·href="#a2383b9456dbc33d42fec7b7c9cd92a12">&#9670;&nbsp;</a></span>KernelModel()·<span·class="overload">[1/4]</span></h2>
  
274 <div·class="memitem">274 <div·class="memitem">
275 <div·class="memproto">275 <div·class="memproto">
276 ······<table·class="memname">276 ······<table·class="memname">
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727 ··</td>727 ··</td>
728 ··<td·class="mlabels-right">728 ··<td·class="mlabels-right">
729 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>729 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
730 ··</tr>730 ··</tr>
731 </table>731 </table>
732 </div><div·class="memdoc">732 </div><div·class="memdoc">
  
733 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dbe/a02084_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../da/dbe/a02084_source.html">kernelModel.h</a>.</p>733 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d10/a00350_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../db/d10/a00350_source.html">kernelModel.h</a>.</p>
  
734 </div>734 </div>
735 </div>735 </div>
736 <h2·class="groupheader">Member·Data·Documentation</h2>736 <h2·class="groupheader">Member·Data·Documentation</h2>
737 <a·id="af59b8815c591e55025e6c29bb44923d9"·name="af59b8815c591e55025e6c29bb44923d9"></a>737 <a·id="af59b8815c591e55025e6c29bb44923d9"·name="af59b8815c591e55025e6c29bb44923d9"></a>
738 <h2·class="memtitle"><span·class="permalink"><a·href="#af59b8815c591e55025e6c29bb44923d9">&#9670;&nbsp;</a></span>K_</h2>738 <h2·class="memtitle"><span·class="permalink"><a·href="#af59b8815c591e55025e6c29bb44923d9">&#9670;&nbsp;</a></span>K_</h2>
  
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753 ··<td·class="mlabels-right">753 ··<td·class="mlabels-right">
754 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>754 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
755 ··</tr>755 ··</tr>
756 </table>756 </table>
757 </div><div·class="memdoc">757 </div><div·class="memdoc">
758 <p·>Matrix·containing·the·pairwise·distances·between·all·substances·</p>758 <p·>Matrix·containing·the·pairwise·distances·between·all·substances·</p>
  
759 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dbe/a02084_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../da/dbe/a02084_source.html">kernelModel.h</a>.</p>759 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d10/a00350_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../db/d10/a00350_source.html">kernelModel.h</a>.</p>
  
760 </div>760 </div>
761 </div>761 </div>
762 <a·id="a4243cf8d0efc81da51ffc6f68ca687c4"·name="a4243cf8d0efc81da51ffc6f68ca687c4"></a>762 <a·id="a4243cf8d0efc81da51ffc6f68ca687c4"·name="a4243cf8d0efc81da51ffc6f68ca687c4"></a>
763 <h2·class="memtitle"><span·class="permalink"><a·href="#a4243cf8d0efc81da51ffc6f68ca687c4">&#9670;&nbsp;</a></span>kernel</h2>763 <h2·class="memtitle"><span·class="permalink"><a·href="#a4243cf8d0efc81da51ffc6f68ca687c4">&#9670;&nbsp;</a></span>kernel</h2>
  
764 <div·class="memitem">764 <div·class="memitem">
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769 ······<table·class="memname">769 ······<table·class="memname">
770 ········<tr>770 ········<tr>
771 ··········<td·class="memname"><a·class="el"·href="../../d5/d7c/a05726.html">Kernel</a>*·BALL::QSAR::KernelModel::kernel</td>771 ··········<td·class="memname"><a·class="el"·href="../../d5/d7c/a05726.html">Kernel</a>*·BALL::QSAR::KernelModel::kernel</td>
772 ········</tr>772 ········</tr>
773 ······</table>773 ······</table>
774 </div><div·class="memdoc">774 </div><div·class="memdoc">
  
775 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dbe/a02084_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../da/dbe/a02084_source.html">kernelModel.h</a>.</p>775 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d10/a00350_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../db/d10/a00350_source.html">kernelModel.h</a>.</p>
  
776 </div>776 </div>
777 </div>777 </div>
778 </div><!--·contents·-->778 </div><!--·contents·-->
779 <!--·start·footer·part·-->779 <!--·start·footer·part·-->
780 <hr·class="footer"/><address·class="footer"><small>780 <hr·class="footer"/><address·class="footer"><small>
781 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4781 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
73 <a·href="../../db/d87/a05299.html">List·of·all·members</a>··</div>73 <a·href="../../db/d87/a05299.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::MMFF94ESParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::MMFF94ESParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../df/d88/a00962_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../df/dc8/a00122_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::MMFF94ESParameters:</div>79 Inheritance·diagram·for·BALL::MMFF94ESParameters:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../db/dd7/a05302.png"·usemap="#BALL::MMFF94ESParameters_map"·alt=""/>82 ··<img·src="../../db/dd7/a05302.png"·usemap="#BALL::MMFF94ESParameters_map"·alt=""/>
83 ··<map·id="BALL::MMFF94ESParameters_map"·name="BALL::MMFF94ESParameters_map">83 ··<map·id="BALL::MMFF94ESParameters_map"·name="BALL::MMFF94ESParameters_map">
84 <area·href="../../d8/de7/a05250.html"·alt="BALL::MMFF94ParametersBase"·shape="rect"·coords="0,0,193,24"/>84 <area·href="../../d8/de7/a05250.html"·alt="BALL::MMFF94ParametersBase"·shape="rect"·coords="0,0,193,24"/>
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153 <tr·class="separator:a84d92d3f781cbfdb13dfc7d7e6746a31·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>153 <tr·class="separator:a84d92d3f781cbfdb13dfc7d7e6746a31·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
154 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>154 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>
155 <tr·class="separator:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>155 <tr·class="separator:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
156 </table>156 </table>
157 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>157 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
158 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·partial·charges·for·electrostatics·(see·MMFFCHG.PAR·MMFFPBCI.PAR)·</p>158 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·partial·charges·for·electrostatics·(see·MMFFCHG.PAR·MMFFPBCI.PAR)·</p>
  
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d3/df2/a04647.html">List·of·all·members</a>··</div>71 <a·href="../../d3/df2/a04647.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::SelectedPredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SelectedPredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::SelectedPredicate:</div>77 Inheritance·diagram·for·BALL::SelectedPredicate:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../db/de2/a04650.png"·usemap="#BALL::SelectedPredicate_map"·alt=""/>80 ··<img·src="../../db/de2/a04650.png"·usemap="#BALL::SelectedPredicate_map"·alt=""/>
81 ··<map·id="BALL::SelectedPredicate_map"·name="BALL::SelectedPredicate_map">81 ··<map·id="BALL::SelectedPredicate_map"·name="BALL::SelectedPredicate_map">
82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Selection·predicate.·This·predicate·is·<b>true</b>,·if·the·atom·is·selected,·<b>false</b>·otherwise.·</p>122 <div·class="textblock"><p·>Selection·predicate.·This·predicate·is·<b>true</b>,·if·the·atom·is·selected,·<b>false</b>·otherwise.·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00088">88</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00088">88</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
125 <a·id="ac34ef5290b97387f7d4d28f63c4ee8a7"·name="ac34ef5290b97387f7d4d28f63c4ee8a7"></a>125 <a·id="ac34ef5290b97387f7d4d28f63c4ee8a7"·name="ac34ef5290b97387f7d4d28f63c4ee8a7"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#ac34ef5290b97387f7d4d28f63c4ee8a7">&#9670;&nbsp;</a></span>operator()()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#ac34ef5290b97387f7d4d28f63c4ee8a7">&#9670;&nbsp;</a></span>operator()()</h2>
  
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d0/d5d/a08363.html">List·of·all·members</a>··</div>71 <a·href="../../d0/d5d/a08363.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorTable·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorTable·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dc/d0c/a01532_source.html">BALL/VIEW/WIDGETS/colorTable.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d0/dc8/a01124_source.html">BALL/VIEW/WIDGETS/colorTable.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::ColorTable:</div>77 Inheritance·diagram·for·BALL::VIEW::ColorTable:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../db/de7/a08366.png"·usemap="#BALL::VIEW::ColorTable_map"·alt=""/>80 ··<img·src="../../db/de7/a08366.png"·usemap="#BALL::VIEW::ColorTable_map"·alt=""/>
81 ··<map·id="BALL::VIEW::ColorTable_map"·name="BALL::VIEW::ColorTable_map">81 ··<map·id="BALL::VIEW::ColorTable_map"·name="BALL::VIEW::ColorTable_map">
82 <area·href="../../d2/d24/a20074.html"·alt="QTableWidget"·shape="rect"·coords="0,0,351,24"/>82 <area·href="../../d2/d24/a20074.html"·alt="QTableWidget"·shape="rect"·coords="0,0,351,24"/>
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118 <tr·class="memitem:a48687b5f319d20b47d936e0baf740b72·inherit·pub_methods_a07930"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db8/a07930.html#a48687b5f319d20b47d936e0baf740b72">setValue</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;)=0</td></tr>118 <tr·class="memitem:a48687b5f319d20b47d936e0baf740b72·inherit·pub_methods_a07930"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db8/a07930.html#a48687b5f319d20b47d936e0baf740b72">setValue</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;)=0</td></tr>
119 <tr·class="memdesc:a48687b5f319d20b47d936e0baf740b72·inherit·pub_methods_a07930"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Overload·this·in·derived·classes!··<a·href="../../d8/db8/a07930.html#a48687b5f319d20b47d936e0baf740b72">More...</a><br·/></td></tr>119 <tr·class="memdesc:a48687b5f319d20b47d936e0baf740b72·inherit·pub_methods_a07930"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Overload·this·in·derived·classes!··<a·href="../../d8/db8/a07930.html#a48687b5f319d20b47d936e0baf740b72">More...</a><br·/></td></tr>
120 <tr·class="separator:a48687b5f319d20b47d936e0baf740b72·inherit·pub_methods_a07930"><td·class="memSeparator"·colspan="2">&#160;</td></tr>120 <tr·class="separator:a48687b5f319d20b47d936e0baf740b72·inherit·pub_methods_a07930"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
121 </table>121 </table>
122 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>122 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
123 <div·class="textblock"><p·>Class·for·storing·colors·in·a·GUI·table·</p>123 <div·class="textblock"><p·>Class·for·storing·colors·in·a·GUI·table·</p>
  
124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d0c/a01532_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../dc/d0c/a01532_source.html">colorTable.h</a>.</p>124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc8/a01124_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d0/dc8/a01124_source.html">colorTable.h</a>.</p>
125 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>125 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
126 <a·id="a5dd6d972cc7af6481b695c4631462673"·name="a5dd6d972cc7af6481b695c4631462673"></a>126 <a·id="a5dd6d972cc7af6481b695c4631462673"·name="a5dd6d972cc7af6481b695c4631462673"></a>
127 <h2·class="memtitle"><span·class="permalink"><a·href="#a5dd6d972cc7af6481b695c4631462673">&#9670;&nbsp;</a></span>ColorTable()</h2>127 <h2·class="memtitle"><span·class="permalink"><a·href="#a5dd6d972cc7af6481b695c4631462673">&#9670;&nbsp;</a></span>ColorTable()</h2>
  
128 <div·class="memitem">128 <div·class="memitem">
129 <div·class="memproto">129 <div·class="memproto">
130 ······<table·class="memname">130 ······<table·class="memname">
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172 ··</td>172 ··</td>
173 ··<td·class="mlabels-right">173 ··<td·class="mlabels-right">
174 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>174 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
175 ··</tr>175 ··</tr>
176 </table>176 </table>
177 </div><div·class="memdoc">177 </div><div·class="memdoc">
  
178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d0c/a01532_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../dc/d0c/a01532_source.html">colorTable.h</a>.</p>178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc8/a01124_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d0/dc8/a01124_source.html">colorTable.h</a>.</p>
  
179 </div>179 </div>
180 </div>180 </div>
181 <a·id="a16ec9bc92931e8947cf49b39a3a9eb20"·name="a16ec9bc92931e8947cf49b39a3a9eb20"></a>181 <a·id="a16ec9bc92931e8947cf49b39a3a9eb20"·name="a16ec9bc92931e8947cf49b39a3a9eb20"></a>
182 <h2·class="memtitle"><span·class="permalink"><a·href="#a16ec9bc92931e8947cf49b39a3a9eb20">&#9670;&nbsp;</a></span>getNames()</h2>182 <h2·class="memtitle"><span·class="permalink"><a·href="#a16ec9bc92931e8947cf49b39a3a9eb20">&#9670;&nbsp;</a></span>getNames()</h2>
  
183 <div·class="memitem">183 <div·class="memitem">
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199 ··</td>199 ··</td>
200 ··<td·class="mlabels-right">200 ··<td·class="mlabels-right">
201 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>201 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
202 ··</tr>202 ··</tr>
203 </table>203 </table>
204 </div><div·class="memdoc">204 </div><div·class="memdoc">
  
205 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d0c/a01532_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../dc/d0c/a01532_source.html">colorTable.h</a>.</p>205 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc8/a01124_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d0/dc8/a01124_source.html">colorTable.h</a>.</p>
  
206 </div>206 </div>
207 </div>207 </div>
208 <a·id="a5277a2f9204e389cc33e4f6505ab2878"·name="a5277a2f9204e389cc33e4f6505ab2878"></a>208 <a·id="a5277a2f9204e389cc33e4f6505ab2878"·name="a5277a2f9204e389cc33e4f6505ab2878"></a>
209 <h2·class="memtitle"><span·class="permalink"><a·href="#a5277a2f9204e389cc33e4f6505ab2878">&#9670;&nbsp;</a></span>getNamesTitle()</h2>209 <h2·class="memtitle"><span·class="permalink"><a·href="#a5277a2f9204e389cc33e4f6505ab2878">&#9670;&nbsp;</a></span>getNamesTitle()</h2>
  
210 <div·class="memitem">210 <div·class="memitem">
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8 <title>BALL:·clippingDialog.h·File·Reference</title>8 <title>BALL:·transformationEvent6D.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c87a3f409bf7b467c2853acf63d5429e.html">INPUT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">clippingDialog.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">transformationEvent6D.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;QtCore/QEvent&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d67/a01070_source.html">BALL/VIEW/KERNEL/clippingPlane.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d5/df4/a01322_source.html">BALL/VIEW/INPUT/deviceEvent.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
76 <code>#include·&lt;BALL/VIEW/UIC/ui_clippingDialog.h&gt;</code><br·/> 
77 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/> 
78 </div>77 </div>
79 <p><a·href="../../db/dec/a01337_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../db/dec/a01337_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">79 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>81 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8a/a07550.html">BALL::VIEW::ClippingDialog</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/db3/a07782.html">BALL::VIEW::TransformationEvent6D</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table><table·class="memberdecls">84 </table><table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
87 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>89 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d9/db1/a03335.html">List·of·all·members</a>··</div>71 <a·href="../../d9/db1/a03335.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ConstUnaryProcessor&lt;·T·&gt;·Class·Template·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ConstUnaryProcessor&lt;·T·&gt;·Class·Template·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::ConstUnaryProcessor&lt;·T·&gt;:</div>77 Inheritance·diagram·for·BALL::ConstUnaryProcessor&lt;·T·&gt;:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../db/dee/a03338.png"·usemap="#BALL::ConstUnaryProcessor_3C_20T_20_3E_map"·alt=""/>80 ··<img·src="../../db/dee/a03338.png"·usemap="#BALL::ConstUnaryProcessor_3C_20T_20_3E_map"·alt=""/>
81 ··<map·id="BALL::ConstUnaryProcessor_3C_20T_20_3E_map"·name="BALL::ConstUnaryProcessor_3C_20T_20_3E_map">81 ··<map·id="BALL::ConstUnaryProcessor_3C_20T_20_3E_map"·name="BALL::ConstUnaryProcessor_3C_20T_20_3E_map">
82 <area·href="../../d7/dbe/a03210.html"·alt="BALL::UnaryFunctor&lt;·T,·Processor::Result·&gt;"·shape="rect"·coords="0,0,265,24"/>82 <area·href="../../d7/dbe/a03210.html"·alt="BALL::UnaryFunctor&lt;·T,·Processor::Result·&gt;"·shape="rect"·coords="0,0,265,24"/>
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111 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·T·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>111 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·T·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
112 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>112 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
113 </table>113 </table>
114 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>114 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
115 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T&gt;<br·/>115 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T&gt;<br·/>
116 class·BALL::ConstUnaryProcessor&lt;·T·&gt;</div><p·>This·is·the·baseclass·for·UnaryProcessors·that·do·not·change·the·objects·they·are·applied·to.·If·your·processor·should·work·on·const·objects·this·is·the·right·class·to·derive·from.·</p>116 class·BALL::ConstUnaryProcessor&lt;·T·&gt;</div><p·>This·is·the·baseclass·for·UnaryProcessors·that·do·not·change·the·objects·they·are·applied·to.·If·your·processor·should·work·on·const·objects·this·is·the·right·class·to·derive·from.·</p>
  
117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">processor.h</a>.</p>117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
118 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>118 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
119 <a·id="a7bfd84690c26381701b9a3929f49265c"·name="a7bfd84690c26381701b9a3929f49265c"></a>119 <a·id="a7bfd84690c26381701b9a3929f49265c"·name="a7bfd84690c26381701b9a3929f49265c"></a>
120 <h2·class="memtitle"><span·class="permalink"><a·href="#a7bfd84690c26381701b9a3929f49265c">&#9670;&nbsp;</a></span>~ConstUnaryProcessor()</h2>120 <h2·class="memtitle"><span·class="permalink"><a·href="#a7bfd84690c26381701b9a3929f49265c">&#9670;&nbsp;</a></span>~ConstUnaryProcessor()</h2>
  
121 <div·class="memitem">121 <div·class="memitem">
122 <div·class="memproto">122 <div·class="memproto">
123 <div·class="memtemplate">123 <div·class="memtemplate">
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138 ··</td>138 ··</td>
139 ··<td·class="mlabels-right">139 ··<td·class="mlabels-right">
140 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>140 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
141 ··</tr>141 ··</tr>
142 </table>142 </table>
143 </div><div·class="memdoc">143 </div><div·class="memdoc">
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00124">124</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">processor.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00124">124</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
  
145 </div>145 </div>
146 </div>146 </div>
147 <h2·class="groupheader">Member·Function·Documentation</h2>147 <h2·class="groupheader">Member·Function·Documentation</h2>
148 <a·id="a0e16d3d7fccfc51b952898b76f57f744"·name="a0e16d3d7fccfc51b952898b76f57f744"></a>148 <a·id="a0e16d3d7fccfc51b952898b76f57f744"·name="a0e16d3d7fccfc51b952898b76f57f744"></a>
149 <h2·class="memtitle"><span·class="permalink"><a·href="#a0e16d3d7fccfc51b952898b76f57f744">&#9670;&nbsp;</a></span>finish()</h2>149 <h2·class="memtitle"><span·class="permalink"><a·href="#a0e16d3d7fccfc51b952898b76f57f744">&#9670;&nbsp;</a></span>finish()</h2>
  
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170 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>170 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
171 ··</tr>171 ··</tr>
172 </table>172 </table>
173 </div><div·class="memdoc">173 </div><div·class="memdoc">
  
174 <p>Reimplemented·in·<a·class="el"·href="../../d4/d71/a06882.html#ac4f8076ebb4c15c35e36f0c56a272262">BALL::BoundingBoxProcessor</a>,·<a·class="el"·href="../../d6/d3f/a06886.html#a81a6e09db713ae534841b16ce0df0f83">BALL::GeometricCenterProcessor</a>,·and·<a·class="el"·href="../../de/d9b/a06890.html#a812cb3ee7a4e94d31e567144d8cc9bc0">BALL::FragmentDistanceCollector</a>.</p>174 <p>Reimplemented·in·<a·class="el"·href="../../d4/d71/a06882.html#ac4f8076ebb4c15c35e36f0c56a272262">BALL::BoundingBoxProcessor</a>,·<a·class="el"·href="../../d6/d3f/a06886.html#a81a6e09db713ae534841b16ce0df0f83">BALL::GeometricCenterProcessor</a>,·and·<a·class="el"·href="../../de/d9b/a06890.html#a812cb3ee7a4e94d31e567144d8cc9bc0">BALL::FragmentDistanceCollector</a>.</p>
  
175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00133">133</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">processor.h</a>.</p>175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00133">133</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
  
176 </div>176 </div>
177 </div>177 </div>
178 <a·id="a7ae8716d8fcdb01fcccc794d9ae2c29a"·name="a7ae8716d8fcdb01fcccc794d9ae2c29a"></a>178 <a·id="a7ae8716d8fcdb01fcccc794d9ae2c29a"·name="a7ae8716d8fcdb01fcccc794d9ae2c29a"></a>
179 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ae8716d8fcdb01fcccc794d9ae2c29a">&#9670;&nbsp;</a></span>operator()()</h2>179 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ae8716d8fcdb01fcccc794d9ae2c29a">&#9670;&nbsp;</a></span>operator()()</h2>
  
180 <div·class="memitem">180 <div·class="memitem">
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202 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>202 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
203 ··</tr>203 ··</tr>
204 </table>204 </table>
205 </div><div·class="memdoc">205 </div><div·class="memdoc">
  
206 <p>Reimplemented·in·<a·class="el"·href="../../d4/d71/a06882.html#adf0f27f73bfde29876c3303ddb57a2f5">BALL::BoundingBoxProcessor</a>,·<a·class="el"·href="../../d6/d3f/a06886.html#ac1d7c724e6876ba40b08ef5c1b8dafbd">BALL::GeometricCenterProcessor</a>,·and·<a·class="el"·href="../../de/d9b/a06890.html#a160eb1f59aac94f8a8e9f89fdb8ca9f1">BALL::FragmentDistanceCollector</a>.</p>206 <p>Reimplemented·in·<a·class="el"·href="../../d4/d71/a06882.html#adf0f27f73bfde29876c3303ddb57a2f5">BALL::BoundingBoxProcessor</a>,·<a·class="el"·href="../../d6/d3f/a06886.html#ac1d7c724e6876ba40b08ef5c1b8dafbd">BALL::GeometricCenterProcessor</a>,·and·<a·class="el"·href="../../de/d9b/a06890.html#a160eb1f59aac94f8a8e9f89fdb8ca9f1">BALL::FragmentDistanceCollector</a>.</p>
  
207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00138">138</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">processor.h</a>.</p>207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00138">138</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
  
208 </div>208 </div>
209 </div>209 </div>
210 <a·id="afb19b9aadd4244d698f58b1d5aa1a51f"·name="afb19b9aadd4244d698f58b1d5aa1a51f"></a>210 <a·id="afb19b9aadd4244d698f58b1d5aa1a51f"·name="afb19b9aadd4244d698f58b1d5aa1a51f"></a>
211 <h2·class="memtitle"><span·class="permalink"><a·href="#afb19b9aadd4244d698f58b1d5aa1a51f">&#9670;&nbsp;</a></span>start()</h2>211 <h2·class="memtitle"><span·class="permalink"><a·href="#afb19b9aadd4244d698f58b1d5aa1a51f">&#9670;&nbsp;</a></span>start()</h2>
  
212 <div·class="memitem">212 <div·class="memitem">
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233 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>233 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
234 ··</tr>234 ··</tr>
235 </table>235 </table>
236 </div><div·class="memdoc">236 </div><div·class="memdoc">
  
237 <p>Reimplemented·in·<a·class="el"·href="../../d4/d71/a06882.html#aca1051ea33cc22a9bf8a80a7502124dd">BALL::BoundingBoxProcessor</a>,·<a·class="el"·href="../../d6/d3f/a06886.html#a5b2f9e902e60dac21751520f5f08da42">BALL::GeometricCenterProcessor</a>,·and·<a·class="el"·href="../../de/d9b/a06890.html#a0a59795e5c0746104764dd747ae543db">BALL::FragmentDistanceCollector</a>.</p>237 <p>Reimplemented·in·<a·class="el"·href="../../d4/d71/a06882.html#aca1051ea33cc22a9bf8a80a7502124dd">BALL::BoundingBoxProcessor</a>,·<a·class="el"·href="../../d6/d3f/a06886.html#a5b2f9e902e60dac21751520f5f08da42">BALL::GeometricCenterProcessor</a>,·and·<a·class="el"·href="../../de/d9b/a06890.html#a0a59795e5c0746104764dd747ae543db">BALL::FragmentDistanceCollector</a>.</p>
  
238 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">processor.h</a>.</p>238 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
  
239 </div>239 </div>
240 </div>240 </div>
241 </div><!--·contents·-->241 </div><!--·contents·-->
242 <!--·start·footer·part·-->242 <!--·start·footer·part·-->
243 <hr·class="footer"/><address·class="footer"><small>243 <hr·class="footer"/><address·class="footer"><small>
244 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4244 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../dc/dcc/a08179.html">List·of·all·members</a>··</div>72 <a·href="../../dc/dcc/a08179.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MultiLine·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MultiLine·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d3/dbc/a01451_source.html">BALL/VIEW/PRIMITIVES/multiLine.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dc/d35/a01400_source.html">BALL/VIEW/PRIMITIVES/multiLine.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::MultiLine:</div>78 Inheritance·diagram·for·BALL::VIEW::MultiLine:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../db/df3/a08182.png"·usemap="#BALL::VIEW::MultiLine_map"·alt=""/>81 ··<img·src="../../db/df3/a08182.png"·usemap="#BALL::VIEW::MultiLine_map"·alt=""/>
82 ··<map·id="BALL::VIEW::MultiLine_map"·name="BALL::VIEW::MultiLine_map">82 ··<map·id="BALL::VIEW::MultiLine_map"·name="BALL::VIEW::MultiLine_map">
83 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,198,24"/>83 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,198,24"/>
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176 <tr·class="inherit_header·pub_attribs_a07450"><td·colspan="2"·onclick="javascript:toggleInherit('pub_attribs_a07450')"><img·src="../../closed.png"·alt="-"/>&#160;Public·Attributes·inherited·from·<a·class="el"·href="../../db/d60/a07450.html">BALL::VIEW::MultiColorExtension</a></td></tr>176 <tr·class="inherit_header·pub_attribs_a07450"><td·colspan="2"·onclick="javascript:toggleInherit('pub_attribs_a07450')"><img·src="../../closed.png"·alt="-"/>&#160;Public·Attributes·inherited·from·<a·class="el"·href="../../db/d60/a07450.html">BALL::VIEW::MultiColorExtension</a></td></tr>
177 <tr·class="memitem:ab0eb1042ec225a9d403977ba0704c306·inherit·pub_attribs_a07450"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d60/a07450.html#ab0eb1042ec225a9d403977ba0704c306">colors</a></td></tr>177 <tr·class="memitem:ab0eb1042ec225a9d403977ba0704c306·inherit·pub_attribs_a07450"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d60/a07450.html#ab0eb1042ec225a9d403977ba0704c306">colors</a></td></tr>
178 <tr·class="separator:ab0eb1042ec225a9d403977ba0704c306·inherit·pub_attribs_a07450"><td·class="memSeparator"·colspan="2">&#160;</td></tr>178 <tr·class="separator:ab0eb1042ec225a9d403977ba0704c306·inherit·pub_attribs_a07450"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
179 </table>179 </table>
180 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>180 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
181 <div·class="textblock"><p·>A·line·with·multiple·vertices·and·colors.·</p>181 <div·class="textblock"><p·>A·line·with·multiple·vertices·and·colors.·</p>
  
182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbc/a01451_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d3/dbc/a01451_source.html">multiLine.h</a>.</p>182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d35/a01400_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../dc/d35/a01400_source.html">multiLine.h</a>.</p>
183 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>183 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
184 <a·id="ace2dbd6064b69353f8a92ab4493be14e"·name="ace2dbd6064b69353f8a92ab4493be14e"></a>184 <a·id="ace2dbd6064b69353f8a92ab4493be14e"·name="ace2dbd6064b69353f8a92ab4493be14e"></a>
185 <h2·class="memtitle"><span·class="permalink"><a·href="#ace2dbd6064b69353f8a92ab4493be14e">&#9670;&nbsp;</a></span>MultiLine()·<span·class="overload">[1/2]</span></h2>185 <h2·class="memtitle"><span·class="permalink"><a·href="#ace2dbd6064b69353f8a92ab4493be14e">&#9670;&nbsp;</a></span>MultiLine()·<span·class="overload">[1/2]</span></h2>
  
186 <div·class="memitem">186 <div·class="memitem">
187 <div·class="memproto">187 <div·class="memproto">
188 ······<table·class="memname">188 ······<table·class="memname">
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430 ········<tr>430 ········<tr>
431 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&gt;·BALL::VIEW::MultiLine::tangents</td>431 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&gt;·BALL::VIEW::MultiLine::tangents</td>
432 ········</tr>432 ········</tr>
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434 </div><div·class="memdoc">434 </div><div·class="memdoc">
  
435 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbc/a01451_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../d3/dbc/a01451_source.html">multiLine.h</a>.</p>435 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d35/a01400_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../dc/d35/a01400_source.html">multiLine.h</a>.</p>
  
436 </div>436 </div>
437 </div>437 </div>
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439 <h2·class="memtitle"><span·class="permalink"><a·href="#ae054e816f73c52356bceeee73e55fae8">&#9670;&nbsp;</a></span>vertices</h2>439 <h2·class="memtitle"><span·class="permalink"><a·href="#ae054e816f73c52356bceeee73e55fae8">&#9670;&nbsp;</a></span>vertices</h2>
  
440 <div·class="memitem">440 <div·class="memitem">
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445 ······<table·class="memname">445 ······<table·class="memname">
446 ········<tr>446 ········<tr>
447 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&gt;·BALL::VIEW::MultiLine::vertices</td>447 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&gt;·BALL::VIEW::MultiLine::vertices</td>
448 ········</tr>448 ········</tr>
449 ······</table>449 ······</table>
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451 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbc/a01451_source.html#l00090">90</a>·of·file·<a·class="el"·href="../../d3/dbc/a01451_source.html">multiLine.h</a>.</p>451 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d35/a01400_source.html#l00090">90</a>·of·file·<a·class="el"·href="../../dc/d35/a01400_source.html">multiLine.h</a>.</p>
  
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d2/d7a/a03115.html">List·of·all·members</a>··</div>71 <a·href="../../d2/d7a/a03115.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Exception::DivisionByZero·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::DivisionByZero·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
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78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../dc/d00/a03118.png"·usemap="#BALL::Exception::DivisionByZero_map"·alt=""/>80 ··<img·src="../../dc/d00/a03118.png"·usemap="#BALL::Exception::DivisionByZero_map"·alt=""/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·><a·class="el"·href="../../df/dcf/a04842.html">Division</a>·by·zero·error.·</p>136 <div·class="textblock"><p·><a·class="el"·href="../../df/dcf/a04842.html">Division</a>·by·zero·error.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00340">340</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00340">340</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="abf21ce278e4e8e756d752f8a4faf1e09"·name="abf21ce278e4e8e756d752f8a4faf1e09"></a>139 <a·id="abf21ce278e4e8e756d752f8a4faf1e09"·name="abf21ce278e4e8e756d752f8a4faf1e09"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#abf21ce278e4e8e756d752f8a4faf1e09">&#9670;&nbsp;</a></span>DivisionByZero()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#abf21ce278e4e8e756d752f8a4faf1e09">&#9670;&nbsp;</a></span>DivisionByZero()</h2>
  
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68 <div·class="header">68 <div·class="header">
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70 <a·href="../../d2/df9/a05815.html">List·of·all·members</a>··</div>70 <a·href="../../d2/df9/a05815.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::PCRModel·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::PCRModel·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../dd/d2e/a01949_source.html">BALL/QSAR/pcrModel.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d7/d00/a00401_source.html">BALL/QSAR/pcrModel.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::QSAR::PCRModel:</div>76 Inheritance·diagram·for·BALL::QSAR::PCRModel:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../dc/d03/a05818.png"·usemap="#BALL::QSAR::PCRModel_map"·alt=""/>79 ··<img·src="../../dc/d03/a05818.png"·usemap="#BALL::QSAR::PCRModel_map"·alt=""/>
80 ··<map·id="BALL::QSAR::PCRModel_map"·name="BALL::QSAR::PCRModel_map">80 ··<map·id="BALL::QSAR::PCRModel_map"·name="BALL::QSAR::PCRModel_map">
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263 <tr·class="memitem:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a176571ffb47e2bd28ab17a4ef939daa7">addLambda</a>·(Eigen::MatrixXd·&amp;matrix,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;lambda)</td></tr>263 <tr·class="memitem:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a176571ffb47e2bd28ab17a4ef939daa7">addLambda</a>·(Eigen::MatrixXd·&amp;matrix,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;lambda)</td></tr>
264 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>264 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
265 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>265 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>
266 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>266 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
267 </table>267 </table>
268 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>268 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
269 <div·class="textblock">269 <div·class="textblock">
270 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d2e/a01949_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../dd/d2e/a01949_source.html">pcrModel.h</a>.</p>270 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d00/a00401_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d7/d00/a00401_source.html">pcrModel.h</a>.</p>
271 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>271 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
272 <a·id="a210158bd6aba892c819376c1d7133ba1"·name="a210158bd6aba892c819376c1d7133ba1"></a>272 <a·id="a210158bd6aba892c819376c1d7133ba1"·name="a210158bd6aba892c819376c1d7133ba1"></a>
273 <h2·class="memtitle"><span·class="permalink"><a·href="#a210158bd6aba892c819376c1d7133ba1">&#9670;&nbsp;</a></span>PCRModel()</h2>273 <h2·class="memtitle"><span·class="permalink"><a·href="#a210158bd6aba892c819376c1d7133ba1">&#9670;&nbsp;</a></span>PCRModel()</h2>
  
274 <div·class="memitem">274 <div·class="memitem">
275 <div·class="memproto">275 <div·class="memproto">
276 ······<table·class="memname">276 ······<table·class="memname">
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491 ··<td·class="mlabels-right">491 ··<td·class="mlabels-right">
492 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>492 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
493 ··</tr>493 ··</tr>
494 </table>494 </table>
495 </div><div·class="memdoc">495 </div><div·class="memdoc">
496 <p·>fraction·of·the·variance·that·is·to·be·explained·</p>496 <p·>fraction·of·the·variance·that·is·to·be·explained·</p>
  
497 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d2e/a01949_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../dd/d2e/a01949_source.html">pcrModel.h</a>.</p>497 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d00/a00401_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../d7/d00/a00401_source.html">pcrModel.h</a>.</p>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">box3.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">RDFSection.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d31/a01811_source.html">BALL/STRUCTURE/radialDistributionFunction.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
76 </div>76 </div>
77 <p><a·href="../../dc/d06/a01832_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../dc/d06/a01832_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>80 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da6/a04782.html">BALL::TBox3&lt;·T·&gt;</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d33/a07038.html">BALL::RDFSection</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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85 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table><table·class="memberdecls"> 
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Storers</h2></td></tr> 
90 <tr·class="memitem:gaaae87380cfb6e34bf383d58b667ec0ba"><td·class="memItemLeft"·align="right"·valign="top">typedef·TBox3&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gaaae87380cfb6e34bf383d58b667ec0ba">BALL::Box3</a></td></tr> 
91 <tr·class="separator:gaaae87380cfb6e34bf383d58b667ec0ba"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
92 <tr·class="memitem:gad6a9fed3a1192e25c51ba83ca3cb7a61"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
93 <tr·class="memitem:gad6a9fed3a1192e25c51ba83ca3cb7a61"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gad6a9fed3a1192e25c51ba83ca3cb7a61">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·TBox3&lt;·T·&gt;·&amp;box)</td></tr> 
94 <tr·class="separator:gad6a9fed3a1192e25c51ba83ca3cb7a61"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 <tr·class="memitem:ga580c33abace8070619fef74dd4ded398"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
96 <tr·class="memitem:ga580c33abace8070619fef74dd4ded398"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga580c33abace8070619fef74dd4ded398">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·TBox3&lt;·T·&gt;·&amp;box)</td></tr> 
97 <tr·class="separator:ga580c33abace8070619fef74dd4ded398"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 </table>88 </table>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="../../d9/da0/a08463.html">List·of·all·members</a>··</div>72 <a·href="../../d9/da0/a08463.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::UIntEditorWidget·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::UIntEditorWidget·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d7/def/a01538_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::UIntEditorWidget:</div>78 Inheritance·diagram·for·BALL::VIEW::UIntEditorWidget:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../dc/d06/a08466.png"·usemap="#BALL::VIEW::UIntEditorWidget_map"·alt=""/>81 ··<img·src="../../dc/d06/a08466.png"·usemap="#BALL::VIEW::UIntEditorWidget_map"·alt=""/>
82 ··<map·id="BALL::VIEW::UIntEditorWidget_map"·name="BALL::VIEW::UIntEditorWidget_map">82 ··<map·id="BALL::VIEW::UIntEditorWidget_map"·name="BALL::VIEW::UIntEditorWidget_map">
83 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,184,80"/>83 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,184,80"/>
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137 <tr·class="memitem:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a46403e234f863163cb9af4c8641d036b">name_</a></td></tr>137 <tr·class="memitem:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a46403e234f863163cb9af4c8641d036b">name_</a></td></tr>
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139 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>139 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>
140 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock">143 <div·class="textblock">
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00156">156</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">propertyEditor.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00156">156</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="acf9726e2e48fc451e0f0f7b83eb11f7b"·name="acf9726e2e48fc451e0f0f7b83eb11f7b"></a>146 <a·id="acf9726e2e48fc451e0f0f7b83eb11f7b"·name="acf9726e2e48fc451e0f0f7b83eb11f7b"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#acf9726e2e48fc451e0f0f7b83eb11f7b">&#9670;&nbsp;</a></span>UIntEditorWidget()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#acf9726e2e48fc451e0f0f7b83eb11f7b">&#9670;&nbsp;</a></span>UIntEditorWidget()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
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8 <title>BALL:·colorTable.h·File·Reference</title>8 <title>BALL:·geometricFit.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">colorTable.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">geometricFit.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
74 <div·class="textblock"><code>#include·&lt;QtWidgets/QTableWidget&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d0/df7/a20389_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d2/d21/a01484_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d2/d04/a00281_source.html">BALL/MATHS/complex.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../de/d25/a00290_source.html">BALL/MATHS/FFT3D.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a01565_source.html">BALL/DOCKING/COMMON/dockingAlgorithm.h</a>&gt;</code><br·/>
78 </div>79 </div>
79 <p><a·href="../../dc/d0c/a01532_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../dc/d0c/a01532_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">81 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>83 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/de7/a08366.html">BALL::VIEW::ColorTable</a></td></tr>84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d9c/a03790.html">BALL::GeometricFit</a></td></tr>
 85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/da7/a03794.html">BALL::GeometricFit::Option</a></td></tr>
 87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d30/a03798.html">BALL::GeometricFit::Default</a></td></tr>
 89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a03802.html">BALL::GeometricFit::Peak_</a></td></tr>
 91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d19/a03806.html">BALL::GeometricFit::RotationAngles_</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table><table·class="memberdecls">94 </table><table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
87 Namespaces</h2></td></tr>96 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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96 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 ··<div·class="headertitle"><div·class="title">BALL::SnapShotManager::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SnapShotManager::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p>Local·class·for·handling·default·values·for·the·options.··75 <p>Local·class·for·handling·default·values·for·the·options.··
76 ·<a·href="../../dc/d0c/a05122.html#details">More...</a></p>76 ·<a·href="../../dc/d0c/a05122.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d0/d85/a00908_source.html">BALL/MOLMEC/COMMON/snapShotManager.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc1/a00092_source.html">BALL/MOLMEC/COMMON/snapShotManager.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
80 Static·Public·Attributes</h2></td></tr>80 Static·Public·Attributes</h2></td></tr>
81 <tr·class="memitem:a37aabee75fa086add861aa13ba5fe324"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d0c/a05122.html#a37aabee75fa086add861aa13ba5fe324">FLUSH_TO_DISK_FREQUENCY</a></td></tr>81 <tr·class="memitem:a37aabee75fa086add861aa13ba5fe324"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d0c/a05122.html#a37aabee75fa086add861aa13ba5fe324">FLUSH_TO_DISK_FREQUENCY</a></td></tr>
82 <tr·class="separator:a37aabee75fa086add861aa13ba5fe324"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a37aabee75fa086add861aa13ba5fe324"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock"><p·>Local·class·for·handling·default·values·for·the·options.·</p>85 <div·class="textblock"><p·>Local·class·for·handling·default·values·for·the·options.·</p>
  
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d85/a00908_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d0/d85/a00908_source.html">snapShotManager.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc1/a00092_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d1/dc1/a00092_source.html">snapShotManager.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="a37aabee75fa086add861aa13ba5fe324"·name="a37aabee75fa086add861aa13ba5fe324"></a>88 <a·id="a37aabee75fa086add861aa13ba5fe324"·name="a37aabee75fa086add861aa13ba5fe324"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#a37aabee75fa086add861aa13ba5fe324">&#9670;&nbsp;</a></span>FLUSH_TO_DISK_FREQUENCY</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#a37aabee75fa086add861aa13ba5fe324">&#9670;&nbsp;</a></span>FLUSH_TO_DISK_FREQUENCY</h2>
  
90 <div·class="memitem">90 <div·class="memitem">
91 <div·class="memproto">91 <div·class="memproto">
92 <table·class="mlabels">92 <table·class="mlabels">
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105 ··<td·class="mlabels-right">105 ··<td·class="mlabels-right">
106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
107 ··</tr>107 ··</tr>
108 </table>108 </table>
109 </div><div·class="memdoc">109 </div><div·class="memdoc">
110 <p·>This·is·the·default·value·of·the·number·of·snapshots·to·be·taken·before·writing·them·to·hard·disk.·<a·class="el"·href="../../dc/d0c/a05122.html"·title="Local·class·for·handling·default·values·for·the·options.">Default</a>·is·...·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d5/d87/a05118.html#a96b23672adeb796c72d0a79e45e1a388">Option::FLUSH_TO_DISK_FREQUENCY</a>·</dd></dl>110 <p·>This·is·the·default·value·of·the·number·of·snapshots·to·be·taken·before·writing·them·to·hard·disk.·<a·class="el"·href="../../dc/d0c/a05122.html"·title="Local·class·for·handling·default·values·for·the·options.">Default</a>·is·...·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d5/d87/a05118.html#a96b23672adeb796c72d0a79e45e1a388">Option::FLUSH_TO_DISK_FREQUENCY</a>·</dd></dl>
  
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d85/a00908_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d0/d85/a00908_source.html">snapShotManager.h</a>.</p>111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc1/a00092_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d1/dc1/a00092_source.html">snapShotManager.h</a>.</p>
  
112 </div>112 </div>
113 </div>113 </div>
114 </div><!--·contents·-->114 </div><!--·contents·-->
115 <!--·start·footer·part·-->115 <!--·start·footer·part·-->
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">dockDialog.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">point.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d4/ddc/a00917_source.html">BALL/MOLMEC/COMMON/radiusRuleProcessor.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d3/db2/a00869_source.html">BALL/MOLMEC/COMMON/chargeRuleProcessor.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00578_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d0/d85/a01352_source.html">BALL/VIEW/DATATYPE/vertex1.h</a>&gt;</code><br·/>
80 <code>#include·&lt;BALL/VIEW/UIC/ui_dockDialog.h&gt;</code><br·/> 
81 </div>76 </div>
82 <p><a·href="../../dc/d10/a01412_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../dc/d10/a01412_source.html">Go·to·the·source·code·of·this·file.</a></p>
83 <table·class="memberdecls">78 <table·class="memberdecls">
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85 Classes</h2></td></tr>80 Classes</h2></td></tr>
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d6b/a07570.html">BALL::VIEW::DockDialog</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d41/a08186.html">BALL::VIEW::Point</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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90 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>88 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../d0/db0/a03631.html">List·of·all·members</a>··</div>72 <a·href="../../d0/db0/a03631.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::Constraint·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::Constraint·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d5/dee/a00518_source.html">BALL/DOCKING/COMMON/constraints.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../de/d40/a01592_source.html">BALL/DOCKING/COMMON/constraints.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::Constraint:</div>78 Inheritance·diagram·for·BALL::Constraint:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../dc/d12/a03634.png"·usemap="#BALL::Constraint_map"·alt=""/>81 ··<img·src="../../dc/d12/a03634.png"·usemap="#BALL::Constraint_map"·alt=""/>
82 ··<map·id="BALL::Constraint_map"·name="BALL::Constraint_map">82 ··<map·id="BALL::Constraint_map"·name="BALL::Constraint_map">
83 <area·href="../../dc/dd9/a03642.html"·alt="BALL::PharmacophoreConstraint"·shape="rect"·coords="0,56,196,80"/>83 <area·href="../../dc/dd9/a03642.html"·alt="BALL::PharmacophoreConstraint"·shape="rect"·coords="0,56,196,80"/>
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113 <tr·class="separator:ae7afdcb7c4c88cb6aca92d23d90f269d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>113 <tr·class="separator:ae7afdcb7c4c88cb6aca92d23d90f269d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
114 <tr·class="memitem:adc9a19236e19ed9c3c994d51f3176418"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d0/d64/a06166.html">ScoringFunction</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d12/a03634.html#adc9a19236e19ed9c3c994d51f3176418">scoring_function_</a></td></tr>114 <tr·class="memitem:adc9a19236e19ed9c3c994d51f3176418"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d0/d64/a06166.html">ScoringFunction</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d12/a03634.html#adc9a19236e19ed9c3c994d51f3176418">scoring_function_</a></td></tr>
115 <tr·class="separator:adc9a19236e19ed9c3c994d51f3176418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>115 <tr·class="separator:adc9a19236e19ed9c3c994d51f3176418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
116 </table>116 </table>
117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
118 <div·class="textblock">118 <div·class="textblock">
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dee/a00518_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d5/dee/a00518_source.html">constraints.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">constraints.h</a>.</p>
120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
121 <a·id="a62b4b590e34cc02fe069e7e1f3ecc6e4"·name="a62b4b590e34cc02fe069e7e1f3ecc6e4"></a>121 <a·id="a62b4b590e34cc02fe069e7e1f3ecc6e4"·name="a62b4b590e34cc02fe069e7e1f3ecc6e4"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#a62b4b590e34cc02fe069e7e1f3ecc6e4">&#9670;&nbsp;</a></span>Constraint()</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#a62b4b590e34cc02fe069e7e1f3ecc6e4">&#9670;&nbsp;</a></span>Constraint()</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
124 <div·class="memproto">124 <div·class="memproto">
125 ······<table·class="memname">125 ······<table·class="memname">
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297 ··</td>297 ··</td>
298 ··<td·class="mlabels-right">298 ··<td·class="mlabels-right">
299 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>299 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
300 ··</tr>300 ··</tr>
301 </table>301 </table>
302 </div><div·class="memdoc">302 </div><div·class="memdoc">
  
303 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dee/a00518_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../d5/dee/a00518_source.html">constraints.h</a>.</p>303 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">constraints.h</a>.</p>
  
304 </div>304 </div>
305 </div>305 </div>
306 <a·id="ae7afdcb7c4c88cb6aca92d23d90f269d"·name="ae7afdcb7c4c88cb6aca92d23d90f269d"></a>306 <a·id="ae7afdcb7c4c88cb6aca92d23d90f269d"·name="ae7afdcb7c4c88cb6aca92d23d90f269d"></a>
307 <h2·class="memtitle"><span·class="permalink"><a·href="#ae7afdcb7c4c88cb6aca92d23d90f269d">&#9670;&nbsp;</a></span>penalty_</h2>307 <h2·class="memtitle"><span·class="permalink"><a·href="#ae7afdcb7c4c88cb6aca92d23d90f269d">&#9670;&nbsp;</a></span>penalty_</h2>
  
308 <div·class="memitem">308 <div·class="memitem">
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322 ··<td·class="mlabels-right">322 ··<td·class="mlabels-right">
323 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>323 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
324 ··</tr>324 ··</tr>
325 </table>325 </table>
326 </div><div·class="memdoc">326 </div><div·class="memdoc">
327 <p·>penalty·value·that·is·to·be·added·to·the·calculated·energy·if·the·desired·constraints·are·not·fullfilled.·</p>327 <p·>penalty·value·that·is·to·be·added·to·the·calculated·energy·if·the·desired·constraints·are·not·fullfilled.·</p>
  
328 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dee/a00518_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../d5/dee/a00518_source.html">constraints.h</a>.</p>328 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">constraints.h</a>.</p>
  
329 </div>329 </div>
330 </div>330 </div>
331 <a·id="adc9a19236e19ed9c3c994d51f3176418"·name="adc9a19236e19ed9c3c994d51f3176418"></a>331 <a·id="adc9a19236e19ed9c3c994d51f3176418"·name="adc9a19236e19ed9c3c994d51f3176418"></a>
332 <h2·class="memtitle"><span·class="permalink"><a·href="#adc9a19236e19ed9c3c994d51f3176418">&#9670;&nbsp;</a></span>scoring_function_</h2>332 <h2·class="memtitle"><span·class="permalink"><a·href="#adc9a19236e19ed9c3c994d51f3176418">&#9670;&nbsp;</a></span>scoring_function_</h2>
  
333 <div·class="memitem">333 <div·class="memitem">
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346 ··</td>346 ··</td>
347 ··<td·class="mlabels-right">347 ··<td·class="mlabels-right">
348 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>348 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
349 ··</tr>349 ··</tr>
350 </table>350 </table>
351 </div><div·class="memdoc">351 </div><div·class="memdoc">
  
352 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dee/a00518_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../d5/dee/a00518_source.html">constraints.h</a>.</p>352 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">constraints.h</a>.</p>
  
353 </div>353 </div>
354 </div>354 </div>
355 <a·id="a23fd3a19a006518808a1a7ca8ea6dd9c"·name="a23fd3a19a006518808a1a7ca8ea6dd9c"></a>355 <a·id="a23fd3a19a006518808a1a7ca8ea6dd9c"·name="a23fd3a19a006518808a1a7ca8ea6dd9c"></a>
356 <h2·class="memtitle"><span·class="permalink"><a·href="#a23fd3a19a006518808a1a7ca8ea6dd9c">&#9670;&nbsp;</a></span>type_</h2>356 <h2·class="memtitle"><span·class="permalink"><a·href="#a23fd3a19a006518808a1a7ca8ea6dd9c">&#9670;&nbsp;</a></span>type_</h2>
  
357 <div·class="memitem">357 <div·class="memitem">
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371 ··<td·class="mlabels-right">371 ··<td·class="mlabels-right">
372 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>372 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
373 ··</tr>373 ··</tr>
374 </table>374 </table>
375 </div><div·class="memdoc">375 </div><div·class="memdoc">
376 <p·>Stores·the·type·-·'<a·class="el"·href="../../df/df2/a03638.html">ReferenceArea</a>'·or·'<a·class="el"·href="../../dc/dd9/a03642.html">PharmacophoreConstraint</a>'·-·of·this·<a·class="el"·href="../../dc/d12/a03634.html">Constraint</a>·for·text·output·purposes.·</p>376 <p·>Stores·the·type·-·'<a·class="el"·href="../../df/df2/a03638.html">ReferenceArea</a>'·or·'<a·class="el"·href="../../dc/dd9/a03642.html">PharmacophoreConstraint</a>'·-·of·this·<a·class="el"·href="../../dc/d12/a03634.html">Constraint</a>·for·text·output·purposes.·</p>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">forceFieldComponent.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">paramFile.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d2/dc8/a00242_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>76 <code>#include·&lt;QtCore/QXmlStreamReader&gt;</code><br·/>
 77 <code>#include·&lt;QtCore/QXmlStreamWriter&gt;</code><br·/>
 78 <code>#include·&lt;QtCore/QFile&gt;</code><br·/>
 79 <code>#include·&lt;map&gt;</code><br·/>
 80 <code>#include·&lt;list&gt;</code><br·/>
 81 <code>#include·&lt;set&gt;</code><br·/>
78 </div>82 </div>
79 <p><a·href="../../dc/d17/a00872_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../dc/d17/a00872_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">84 <table·class="memberdecls">
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 88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d40/a04090.html">BALL::ParamFile::ParameterDescription</a></td></tr>
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87 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">sideChainOptimizer.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">atomIterator.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d3/d4f/a00761_source.html">BALL/STRUCTURE/rotamerLibrary.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../da/d7e/a00530_source.html">BALL/KERNEL/iterator.h</a>&gt;</code><br·/>
76 <code>#include·&lt;set&gt;</code><br·/> 
77 <code>#include·&lt;list&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/predicate.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../dc/d6e/a00833_source.html">BALL/CONCEPT/stdIteratorWrapper.h</a>&gt;</code><br·/>
78 </div>78 </div>
79 <p><a·href="../../dc/d19/a00515_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../dc/d19/a00515_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">80 <table·class="memberdecls">
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82 Classes</h2></td></tr>82 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/daf/a03718.html">BALL::SideChainOptimizer</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d2e/a04482.html">BALL::AtomIteratorTraits</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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87 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 </table><table·class="memberdecls">
 91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
 92 Typedefs</h2></td></tr>
 93 <tr><td·colspan="2"><div·class="groupHeader">Iterator·type·definitions·for·the·various·AtomIterators</div></td></tr>
 94 <tr·class="memitem:a24fdec10c1db8f2ac272a4c83ebf98c3"><td·class="memItemLeft"·align="right"·valign="top">typedef·BidirectionalIterator&lt;·Composite,·Atom,·Composite::CompositeIterator,·AtomIteratorTraits·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a24fdec10c1db8f2ac272a4c83ebf98c3">BALL::AtomIterator</a></td></tr>
 95 <tr·class="separator:a24fdec10c1db8f2ac272a4c83ebf98c3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 <tr·class="memitem:a52046bafd572cc37c7e11556c01966df"><td·class="memItemLeft"·align="right"·valign="top">typedef·ConstBidirectionalIterator&lt;·Composite,·Atom,·Composite::CompositeIterator,·AtomIteratorTraits·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a52046bafd572cc37c7e11556c01966df">BALL::AtomConstIterator</a></td></tr>
 97 <tr·class="separator:a52046bafd572cc37c7e11556c01966df"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 <tr·class="memitem:ae1bb1505a2b624a7deb276a4ef214840"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·AtomIterator·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ae1bb1505a2b624a7deb276a4ef214840">BALL::AtomReverseIterator</a></td></tr>
 99 <tr·class="memdesc:ae1bb1505a2b624a7deb276a4ef214840"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">A·mutable·reverse·bidirectional·iterator·for·the·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·class.··<a·href="../../da/da2/a02217.html#ae1bb1505a2b624a7deb276a4ef214840">More...</a><br·/></td></tr>
 100 <tr·class="separator:ae1bb1505a2b624a7deb276a4ef214840"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 101 <tr·class="memitem:ab74e35dcbfb590e34d8ed9562a0c6cc8"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·AtomConstIterator·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ab74e35dcbfb590e34d8ed9562a0c6cc8">BALL::AtomConstReverseIterator</a></td></tr>
 102 <tr·class="memdesc:ab74e35dcbfb590e34d8ed9562a0c6cc8"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">A·constant·reverse·bidirectional·iterator·for·the·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·class.··<a·href="../../da/da2/a02217.html#ab74e35dcbfb590e34d8ed9562a0c6cc8">More...</a><br·/></td></tr>
 103 <tr·class="separator:ab74e35dcbfb590e34d8ed9562a0c6cc8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>104 </table>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_0f44562fa0092558829ef2f34049a706.html">MODELS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
65 </div>65 </div>
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71 ··<div·class="headertitle"><div·class="title">lineModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">setCamera.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d61/a01205_source.html">BALL/VIEW/MODELS/atomBondModelBaseProcessor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;BALL/VIEW/UIC/ui_setCamera.h&gt;</code><br·/>
 76 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>
75 </div>77 </div>
76 <p><a·href="../../dc/d19/a01190_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../dc/d19/a01190_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">79 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>81 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d5b/a08066.html">BALL::VIEW::AddLineModel</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a07722.html">BALL::VIEW::SetCamera</a></td></tr>
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84 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
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63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_8cdbfb4bef7508ff4809ac8ed890f379.html">CHARMM</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
65 </div>65 </div>
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71 <a·href="#define-members">Macros</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">charmmBend.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">bidirectionalIterator.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d13/a00836_source.html">BALL/CONCEPT/forwardIterator.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d7/d46/a00890_source.html">BALL/MOLMEC/COMMON/bendComponent.h</a>&gt;</code><br·/> 
77 </div>75 </div>
78 <p><a·href="../../dc/d1b/a00827_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../dc/d1b/a00827_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">77 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>79 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/df7/a05026.html">BALL::CharmmBend</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d2f/a03222.html">BALL::ConstBidirectionalIterator&lt;·Container,·DataType,·Position,·Traits·&gt;</a></td></tr>
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85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
86 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls"> 
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
91 Macros</h2></td></tr> 
92 <tr·class="memitem:a4275754c252b216c209a5f5954771248"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d1b/a00827.html#a4275754c252b216c209a5f5954771248">CHARMM_BENDS_ENABLED</a>&#160;&#160;&#160;&quot;enable·Bends&quot;</td></tr> 
93 <tr·class="memdesc:a4275754c252b216c209a5f5954771248"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·BENDS··<a·href="../../dc/d1b/a00827.html#a4275754c252b216c209a5f5954771248">More...</a><br·/></td></tr> 
94 <tr·class="separator:a4275754c252b216c209a5f5954771248"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 </table>90 </table>
96 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
97 <a·id="a4275754c252b216c209a5f5954771248"·name="a4275754c252b216c209a5f5954771248"></a> 
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a4275754c252b216c209a5f5954771248">&#9670;&nbsp;</a></span>CHARMM_BENDS_ENABLED</h2> 
  
99 <div·class="memitem"> 
100 <div·class="memproto"> 
101 ······<table·class="memname"> 
102 ········<tr> 
103 ··········<td·class="memname">#define·CHARMM_BENDS_ENABLED&#160;&#160;&#160;&quot;enable·Bends&quot;</td> 
104 ········</tr> 
105 ······</table> 
106 </div><div·class="memdoc"> 
  
107 <p>flag·to·enable·BENDS·</p> 
  
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d1b/a00827_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../dc/d1b/a00827_source.html">charmmBend.h</a>.</p> 
  
109 </div> 
110 </div> 
111 </div><!--·contents·-->91 </div><!--·contents·-->
112 <!--·start·footer·part·-->92 <!--·start·footer·part·-->
113 <hr·class="footer"/><address·class="footer"><small>93 <hr·class="footer"/><address·class="footer"><small>
114 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.494 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
115 </small></address>95 </small></address>
116 </body>96 </body>
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71 <a·href="#pub-slots">Public·Slots</a>·&#124;71 <a·href="#pub-slots">Public·Slots</a>·&#124;
72 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;72 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
73 <a·href="../../d3/da9/a08411.html">List·of·all·members</a>··</div>73 <a·href="../../d3/da9/a08411.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::HotkeyTable·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::HotkeyTable·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d5/dc8/a01541_source.html">BALL/VIEW/WIDGETS/hotkeyTable.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d9/d7c/a01073_source.html">BALL/VIEW/WIDGETS/hotkeyTable.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::VIEW::HotkeyTable:</div>79 Inheritance·diagram·for·BALL::VIEW::HotkeyTable:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../dc/d1b/a08414.png"·usemap="#BALL::VIEW::HotkeyTable_map"·alt=""/>82 ··<img·src="../../dc/d1b/a08414.png"·usemap="#BALL::VIEW::HotkeyTable_map"·alt=""/>
83 ··<map·id="BALL::VIEW::HotkeyTable_map"·name="BALL::VIEW::HotkeyTable_map">83 ··<map·id="BALL::VIEW::HotkeyTable_map"·name="BALL::VIEW::HotkeyTable_map">
84 <area·href="../../d2/d24/a20074.html"·alt="QTableWidget"·shape="rect"·coords="0,0,351,24"/>84 <area·href="../../d2/d24/a20074.html"·alt="QTableWidget"·shape="rect"·coords="0,0,351,24"/>
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128 <tr·class="memitem:a48687b5f319d20b47d936e0baf740b72·inherit·pub_methods_a07930"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db8/a07930.html#a48687b5f319d20b47d936e0baf740b72">setValue</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;)=0</td></tr>128 <tr·class="memitem:a48687b5f319d20b47d936e0baf740b72·inherit·pub_methods_a07930"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db8/a07930.html#a48687b5f319d20b47d936e0baf740b72">setValue</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;)=0</td></tr>
129 <tr·class="memdesc:a48687b5f319d20b47d936e0baf740b72·inherit·pub_methods_a07930"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Overload·this·in·derived·classes!··<a·href="../../d8/db8/a07930.html#a48687b5f319d20b47d936e0baf740b72">More...</a><br·/></td></tr>129 <tr·class="memdesc:a48687b5f319d20b47d936e0baf740b72·inherit·pub_methods_a07930"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Overload·this·in·derived·classes!··<a·href="../../d8/db8/a07930.html#a48687b5f319d20b47d936e0baf740b72">More...</a><br·/></td></tr>
130 <tr·class="separator:a48687b5f319d20b47d936e0baf740b72·inherit·pub_methods_a07930"><td·class="memSeparator"·colspan="2">&#160;</td></tr>130 <tr·class="separator:a48687b5f319d20b47d936e0baf740b72·inherit·pub_methods_a07930"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
131 </table>131 </table>
132 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>132 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
133 <div·class="textblock"><p·>Class·for·storing·Python·hotkeys·in·a·GUI·table·</p>133 <div·class="textblock"><p·>Class·for·storing·Python·hotkeys·in·a·GUI·table·</p>
  
134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dc8/a01541_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d5/dc8/a01541_source.html">hotkeyTable.h</a>.</p>134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7c/a01073_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d9/d7c/a01073_source.html">hotkeyTable.h</a>.</p>
135 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>135 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
136 <a·id="a9e1639ace6a9246fa02ba879425a8f06"·name="a9e1639ace6a9246fa02ba879425a8f06"></a>136 <a·id="a9e1639ace6a9246fa02ba879425a8f06"·name="a9e1639ace6a9246fa02ba879425a8f06"></a>
137 <h2·class="memtitle"><span·class="permalink"><a·href="#a9e1639ace6a9246fa02ba879425a8f06">&#9670;&nbsp;</a></span>Modifier</h2>137 <h2·class="memtitle"><span·class="permalink"><a·href="#a9e1639ace6a9246fa02ba879425a8f06">&#9670;&nbsp;</a></span>Modifier</h2>
  
138 <div·class="memitem">138 <div·class="memitem">
139 <div·class="memproto">139 <div·class="memproto">
140 ······<table·class="memname">140 ······<table·class="memname">
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146 ······</table>146 ······</table>
147 </div><div·class="memdoc">147 </div><div·class="memdoc">
148 <table·class="fieldtable">148 <table·class="fieldtable">
149 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a9e1639ace6a9246fa02ba879425a8f06aefb47f30390bff5688e6e6aaddd5bc50"·name="a9e1639ace6a9246fa02ba879425a8f06aefb47f30390bff5688e6e6aaddd5bc50"></a>NONE&#160;</td><td·class="fielddoc"></td></tr>149 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a9e1639ace6a9246fa02ba879425a8f06aefb47f30390bff5688e6e6aaddd5bc50"·name="a9e1639ace6a9246fa02ba879425a8f06aefb47f30390bff5688e6e6aaddd5bc50"></a>NONE&#160;</td><td·class="fielddoc"></td></tr>
150 <tr><td·class="fieldname"><a·id="a9e1639ace6a9246fa02ba879425a8f06a5b3eb5cc4f16de9c91c334ae041488ee"·name="a9e1639ace6a9246fa02ba879425a8f06a5b3eb5cc4f16de9c91c334ae041488ee"></a>SHIFT&#160;</td><td·class="fielddoc"></td></tr>150 <tr><td·class="fieldname"><a·id="a9e1639ace6a9246fa02ba879425a8f06a5b3eb5cc4f16de9c91c334ae041488ee"·name="a9e1639ace6a9246fa02ba879425a8f06a5b3eb5cc4f16de9c91c334ae041488ee"></a>SHIFT&#160;</td><td·class="fielddoc"></td></tr>
151 </table>151 </table>
  
152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dc8/a01541_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d5/dc8/a01541_source.html">hotkeyTable.h</a>.</p>152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7c/a01073_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d9/d7c/a01073_source.html">hotkeyTable.h</a>.</p>
  
153 </div>153 </div>
154 </div>154 </div>
155 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>155 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
156 <a·id="a46fd5dca5c7999897773af6cdf822f24"·name="a46fd5dca5c7999897773af6cdf822f24"></a>156 <a·id="a46fd5dca5c7999897773af6cdf822f24"·name="a46fd5dca5c7999897773af6cdf822f24"></a>
157 <h2·class="memtitle"><span·class="permalink"><a·href="#a46fd5dca5c7999897773af6cdf822f24">&#9670;&nbsp;</a></span>HotkeyTable()</h2>157 <h2·class="memtitle"><span·class="permalink"><a·href="#a46fd5dca5c7999897773af6cdf822f24">&#9670;&nbsp;</a></span>HotkeyTable()</h2>
  
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d4/d17/a06123.html">List·of·all·members</a>··</div>71 <a·href="../../d4/d17/a06123.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::DifferentiableScoringFunction·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::DifferentiableScoringFunction·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dd/dd7/a00260_source.html">BALL/SCORING/COMMON/diffScoringFunction.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d59/a01973_source.html">BALL/SCORING/COMMON/diffScoringFunction.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::DifferentiableScoringFunction:</div>77 Inheritance·diagram·for·BALL::DifferentiableScoringFunction:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../dc/d1e/a06126.png"·usemap="#BALL::DifferentiableScoringFunction_map"·alt=""/>80 ··<img·src="../../dc/d1e/a06126.png"·usemap="#BALL::DifferentiableScoringFunction_map"·alt=""/>
81 ··<map·id="BALL::DifferentiableScoringFunction_map"·name="BALL::DifferentiableScoringFunction_map">81 ··<map·id="BALL::DifferentiableScoringFunction_map"·name="BALL::DifferentiableScoringFunction_map">
82 <area·href="../../d0/d64/a06166.html"·alt="BALL::ScoringFunction"·shape="rect"·coords="0,0,218,24"/>82 <area·href="../../d0/d64/a06166.html"·alt="BALL::ScoringFunction"·shape="rect"·coords="0,0,218,24"/>
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386 <tr·class="memitem:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a6884ad80f5b4a53ac9075b09e080488c">rotatable_ligand_bonds_</a>·{}</td></tr>386 <tr·class="memitem:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a6884ad80f5b4a53ac9075b09e080488c">rotatable_ligand_bonds_</a>·{}</td></tr>
387 <tr·class="separator:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>387 <tr·class="separator:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
388 <tr·class="memitem:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·list&lt;·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a1b984092e5214e6adbd1cdf8b6b62976">flexres_org_positions_</a>·{}</td></tr>388 <tr·class="memitem:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·list&lt;·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a1b984092e5214e6adbd1cdf8b6b62976">flexres_org_positions_</a>·{}</td></tr>
389 <tr·class="separator:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>389 <tr·class="separator:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
390 </table>390 </table>
391 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>391 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
392 <div·class="textblock">392 <div·class="textblock">
393 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dd7/a00260_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../dd/dd7/a00260_source.html">diffScoringFunction.h</a>.</p>393 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d59/a01973_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d3/d59/a01973_source.html">diffScoringFunction.h</a>.</p>
394 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>394 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
395 <a·id="aba2e805c519e8d7881647cd61d04665a"·name="aba2e805c519e8d7881647cd61d04665a"></a>395 <a·id="aba2e805c519e8d7881647cd61d04665a"·name="aba2e805c519e8d7881647cd61d04665a"></a>
396 <h2·class="memtitle"><span·class="permalink"><a·href="#aba2e805c519e8d7881647cd61d04665a">&#9670;&nbsp;</a></span>DifferentiableScoringFunction()·<span·class="overload">[1/2]</span></h2>396 <h2·class="memtitle"><span·class="permalink"><a·href="#aba2e805c519e8d7881647cd61d04665a">&#9670;&nbsp;</a></span>DifferentiableScoringFunction()·<span·class="overload">[1/2]</span></h2>
  
397 <div·class="memitem">397 <div·class="memitem">
398 <div·class="memproto">398 <div·class="memproto">
399 ······<table·class="memname">399 ······<table·class="memname">
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8 <title>BALL:·dialogs.doc·File·Reference</title>8 <title>BALL:·twoColoredLine.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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 75 <code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../de/d5c/a01358_source.html">BALL/VIEW/DATATYPE/vertex2.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;BALL/VIEW/PRIMITIVES/twoColoredLine.iC&gt;</code><br·/>
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75 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/> 
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77 <code>#include·&lt;<a·class="el"·href="../../d2/d2f/a01586_source.html">BALL/CONCEPT/timeStamp.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../dd/d7e/a00809_source.html">BALL/MOLMEC/PARAMETER/forceFieldParameters.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../d8/db7/a00812_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/> 
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82 <code>#include·&lt;vector&gt;</code><br·/> 
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85 <p><a·href="../../dc/d2c/a00893_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../dc/d2c/a00893_source.html">Go·to·the·source·code·of·this·file.</a></p>
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
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 85 <tr·class="memitem:ga8cb2233419a5e4c9e52e1d1ac34e1c7e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d13/a02139.html#ga8cb2233419a5e4c9e52e1d1ac34e1c7e">BALL::calculateACE</a>·(const·AtomContainer·&amp;atom_container,·const·string·&amp;type_filename=&quot;energy/ACE_types.dat&quot;,·const·string·&amp;parameter_filename=&quot;energy/ACE_parameters.dat&quot;)</td></tr>
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72 ··<div·class="headertitle"><div·class="title">BALL::BuildBondsProcessor::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::BuildBondsProcessor::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../dc/d31/a06830.html"·title="Default·values·for·options.">Default</a>·values·for·options.··75 <p><a·class="el"·href="../../dc/d31/a06830.html"·title="Default·values·for·options.">Default</a>·values·for·options.··
76 ·<a·href="../../dc/d31/a06830.html#details">More...</a></p>76 ·<a·href="../../dc/d31/a06830.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d1/d04/a00713_source.html">BALL/STRUCTURE/buildBondsProcessor.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../dd/d8d/a01667_source.html">BALL/STRUCTURE/buildBondsProcessor.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
80 Static·Public·Attributes</h2></td></tr>80 Static·Public·Attributes</h2></td></tr>
81 <tr·class="memitem:a04454312458792ff9553482344c1c806"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d31/a06830.html#a04454312458792ff9553482344c1c806">BONDLENGTHS_FILENAME</a></td></tr>81 <tr·class="memitem:a04454312458792ff9553482344c1c806"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d31/a06830.html#a04454312458792ff9553482344c1c806">BONDLENGTHS_FILENAME</a></td></tr>
82 <tr·class="memdesc:a04454312458792ff9553482344c1c806"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">default·file·name·for·the·bond·lengths··<a·href="../../dc/d31/a06830.html#a04454312458792ff9553482344c1c806">More...</a><br·/></td></tr>82 <tr·class="memdesc:a04454312458792ff9553482344c1c806"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">default·file·name·for·the·bond·lengths··<a·href="../../dc/d31/a06830.html#a04454312458792ff9553482344c1c806">More...</a><br·/></td></tr>
83 <tr·class="separator:a04454312458792ff9553482344c1c806"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:a04454312458792ff9553482344c1c806"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
84 <tr·class="memitem:ae3e7f12e6f83cd0bcc2f6f897ddd4feb"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d31/a06830.html#ae3e7f12e6f83cd0bcc2f6f897ddd4feb">DELETE_EXISTING_BONDS</a></td></tr>84 <tr·class="memitem:ae3e7f12e6f83cd0bcc2f6f897ddd4feb"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d31/a06830.html#ae3e7f12e6f83cd0bcc2f6f897ddd4feb">DELETE_EXISTING_BONDS</a></td></tr>
Offset 92, 15 lines modifiedOffset 92, 15 lines modified
92 <tr·class="memitem:abdff8d9ee157a1c5b669961e7235d0c3"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d31/a06830.html#abdff8d9ee157a1c5b669961e7235d0c3">DELETE_OVERESTIMATED_BONDS</a></td></tr>92 <tr·class="memitem:abdff8d9ee157a1c5b669961e7235d0c3"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d31/a06830.html#abdff8d9ee157a1c5b669961e7235d0c3">DELETE_OVERESTIMATED_BONDS</a></td></tr>
93 <tr·class="memdesc:abdff8d9ee157a1c5b669961e7235d0c3"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">this·option·is·off·by·default··<a·href="../../dc/d31/a06830.html#abdff8d9ee157a1c5b669961e7235d0c3">More...</a><br·/></td></tr>93 <tr·class="memdesc:abdff8d9ee157a1c5b669961e7235d0c3"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">this·option·is·off·by·default··<a·href="../../dc/d31/a06830.html#abdff8d9ee157a1c5b669961e7235d0c3">More...</a><br·/></td></tr>
94 <tr·class="separator:abdff8d9ee157a1c5b669961e7235d0c3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:abdff8d9ee157a1c5b669961e7235d0c3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table>95 </table>
96 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>96 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
97 <div·class="textblock"><p·><a·class="el"·href="../../dc/d31/a06830.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>97 <div·class="textblock"><p·><a·class="el"·href="../../dc/d31/a06830.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>
  
98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d04/a00713_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../d1/d04/a00713_source.html">buildBondsProcessor.h</a>.</p>98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">buildBondsProcessor.h</a>.</p>
99 </div><h2·class="groupheader">Member·Data·Documentation</h2>99 </div><h2·class="groupheader">Member·Data·Documentation</h2>
100 <a·id="a04454312458792ff9553482344c1c806"·name="a04454312458792ff9553482344c1c806"></a>100 <a·id="a04454312458792ff9553482344c1c806"·name="a04454312458792ff9553482344c1c806"></a>
101 <h2·class="memtitle"><span·class="permalink"><a·href="#a04454312458792ff9553482344c1c806">&#9670;&nbsp;</a></span>BONDLENGTHS_FILENAME</h2>101 <h2·class="memtitle"><span·class="permalink"><a·href="#a04454312458792ff9553482344c1c806">&#9670;&nbsp;</a></span>BONDLENGTHS_FILENAME</h2>
  
102 <div·class="memitem">102 <div·class="memitem">
103 <div·class="memproto">103 <div·class="memproto">
104 <table·class="mlabels">104 <table·class="mlabels">
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116 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>116 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
117 ··</tr>117 ··</tr>
118 </table>118 </table>
119 </div><div·class="memdoc">119 </div><div·class="memdoc">
  
120 <p>default·file·name·for·the·bond·lengths·</p>120 <p>default·file·name·for·the·bond·lengths·</p>
  
121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d04/a00713_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d1/d04/a00713_source.html">buildBondsProcessor.h</a>.</p>121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">buildBondsProcessor.h</a>.</p>
  
122 </div>122 </div>
123 </div>123 </div>
124 <a·id="ae3e7f12e6f83cd0bcc2f6f897ddd4feb"·name="ae3e7f12e6f83cd0bcc2f6f897ddd4feb"></a>124 <a·id="ae3e7f12e6f83cd0bcc2f6f897ddd4feb"·name="ae3e7f12e6f83cd0bcc2f6f897ddd4feb"></a>
125 <h2·class="memtitle"><span·class="permalink"><a·href="#ae3e7f12e6f83cd0bcc2f6f897ddd4feb">&#9670;&nbsp;</a></span>DELETE_EXISTING_BONDS</h2>125 <h2·class="memtitle"><span·class="permalink"><a·href="#ae3e7f12e6f83cd0bcc2f6f897ddd4feb">&#9670;&nbsp;</a></span>DELETE_EXISTING_BONDS</h2>
  
126 <div·class="memitem">126 <div·class="memitem">
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142 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>142 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
143 ··</tr>143 ··</tr>
144 </table>144 </table>
145 </div><div·class="memdoc">145 </div><div·class="memdoc">
  
146 <p>this·option·is·off·by·default·</p>146 <p>this·option·is·off·by·default·</p>
  
147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d04/a00713_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../d1/d04/a00713_source.html">buildBondsProcessor.h</a>.</p>147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">buildBondsProcessor.h</a>.</p>
  
148 </div>148 </div>
149 </div>149 </div>
150 <a·id="abdff8d9ee157a1c5b669961e7235d0c3"·name="abdff8d9ee157a1c5b669961e7235d0c3"></a>150 <a·id="abdff8d9ee157a1c5b669961e7235d0c3"·name="abdff8d9ee157a1c5b669961e7235d0c3"></a>
151 <h2·class="memtitle"><span·class="permalink"><a·href="#abdff8d9ee157a1c5b669961e7235d0c3">&#9670;&nbsp;</a></span>DELETE_OVERESTIMATED_BONDS</h2>151 <h2·class="memtitle"><span·class="permalink"><a·href="#abdff8d9ee157a1c5b669961e7235d0c3">&#9670;&nbsp;</a></span>DELETE_OVERESTIMATED_BONDS</h2>
  
152 <div·class="memitem">152 <div·class="memitem">
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168 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>168 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
169 ··</tr>169 ··</tr>
170 </table>170 </table>
171 </div><div·class="memdoc">171 </div><div·class="memdoc">
  
172 <p>this·option·is·off·by·default·</p>172 <p>this·option·is·off·by·default·</p>
  
173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d04/a00713_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../d1/d04/a00713_source.html">buildBondsProcessor.h</a>.</p>173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">buildBondsProcessor.h</a>.</p>
  
174 </div>174 </div>
175 </div>175 </div>
176 <a·id="ad4bfed2cd5274ff351b4eee3059a7fe0"·name="ad4bfed2cd5274ff351b4eee3059a7fe0"></a>176 <a·id="ad4bfed2cd5274ff351b4eee3059a7fe0"·name="ad4bfed2cd5274ff351b4eee3059a7fe0"></a>
177 <h2·class="memtitle"><span·class="permalink"><a·href="#ad4bfed2cd5274ff351b4eee3059a7fe0">&#9670;&nbsp;</a></span>REESTIMATE_BONDORDERS_RINGS</h2>177 <h2·class="memtitle"><span·class="permalink"><a·href="#ad4bfed2cd5274ff351b4eee3059a7fe0">&#9670;&nbsp;</a></span>REESTIMATE_BONDORDERS_RINGS</h2>
  
178 <div·class="memitem">178 <div·class="memitem">
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194 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>194 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
195 ··</tr>195 ··</tr>
196 </table>196 </table>
197 </div><div·class="memdoc">197 </div><div·class="memdoc">
  
198 <p>this·option·is·off·by·default·</p>198 <p>this·option·is·off·by·default·</p>
  
199 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d04/a00713_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../d1/d04/a00713_source.html">buildBondsProcessor.h</a>.</p>199 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">buildBondsProcessor.h</a>.</p>
  
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">networkPreferences.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">multiLine.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../de/d5c/a01358_source.html">BALL/VIEW/DATATYPE/vertex2.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d8/dbe/a01370_source.html">BALL/VIEW/DATATYPE/colorExtensions.h</a>&gt;</code><br·/>
76 <code>#include·&lt;BALL/VIEW/UIC/ui_networkPreferences.h&gt;</code><br·/> 
77 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/> 
78 </div>77 </div>
79 <p><a·href="../../dc/d35/a01400_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../dc/d35/a01400_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">79 <table·class="memberdecls">
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79 <code>#include·&lt;mpi.h&gt;</code><br·/> 
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8 <title>BALL:·advElectrostatic.h·File·Reference</title>8 <title>BALL:·steepestDescent.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_46bde4670535f76c6409b9b449574944.html">MINIMIZATION</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">advElectrostatic.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">steepestDescent.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/de1/a00233_source.html">BALL/SCORING/COMPONENTS/electrostatic.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d15/a00188_source.html">BALL/MOLMEC/MINIMIZATION/energyMinimizer.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../de/d79/a00203_source.html">BALL/MOLMEC/MINIMIZATION/lineSearch.h</a>&gt;</code><br·/>
75 </div>76 </div>
76 <p><a·href="../../dc/d57/a00194_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../dc/d57/a00194_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">78 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>80 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/df6/a06194.html">BALL::AdvancedElectrostatic</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d56/a05206.html">BALL::SteepestDescentMinimizer</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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84 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d2/dcf/a05807.html">List·of·all·members</a>··</div>70 <a·href="../../d2/dcf/a05807.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::RelNegativePartialCharge·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::RelNegativePartialCharge·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d2/d3d/a01982_source.html">BALL/QSAR/partialChargeDescriptors.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../de/dd7/a00362_source.html">BALL/QSAR/partialChargeDescriptors.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::RelNegativePartialCharge:</div>76 Inheritance·diagram·for·BALL::RelNegativePartialCharge:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../dc/d5c/a05810.png"·usemap="#BALL::RelNegativePartialCharge_map"·alt=""/>79 ··<img·src="../../dc/d5c/a05810.png"·usemap="#BALL::RelNegativePartialCharge_map"·alt=""/>
80 ··<map·id="BALL::RelNegativePartialCharge_map"·name="BALL::RelNegativePartialCharge_map">80 ··<map·id="BALL::RelNegativePartialCharge_map"·name="BALL::RelNegativePartialCharge_map">
81 <area·href="../../d4/dc2/a05794.html"·alt="BALL::PartialChargeBase"·shape="rect"·coords="0,168,341,192"/>81 <area·href="../../d4/dc2/a05794.html"·alt="BALL::PartialChargeBase"·shape="rect"·coords="0,168,341,192"/>
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176 <tr·class="inherit_header·pro_attribs_a05794"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a05794')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d4/dc2/a05794.html">BALL::PartialChargeBase</a></td></tr>176 <tr·class="inherit_header·pro_attribs_a05794"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a05794')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d4/dc2/a05794.html">BALL::PartialChargeBase</a></td></tr>
177 <tr·class="memitem:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc2/a05794.html#a9f9a683d15b8d2e2aafddb9d0d31616c">data_folder_</a></td></tr>177 <tr·class="memitem:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc2/a05794.html#a9f9a683d15b8d2e2aafddb9d0d31616c">data_folder_</a></td></tr>
178 <tr·class="separator:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"><td·class="memSeparator"·colspan="2">&#160;</td></tr>178 <tr·class="separator:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
179 </table>179 </table>
180 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>180 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
181 <div·class="textblock"><p·>This·descriptor·returns·the·fraction·of·negative·partial·charges,·which·is·calculated·by·deviding·the·most·negative·partial·charge·value·by·the·sum·of·negative·partial·charges.·</p>181 <div·class="textblock"><p·>This·descriptor·returns·the·fraction·of·negative·partial·charges,·which·is·calculated·by·deviding·the·most·negative·partial·charge·value·by·the·sum·of·negative·partial·charges.·</p>
  
182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d3d/a01982_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../d2/d3d/a01982_source.html">partialChargeDescriptors.h</a>.</p>182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dd7/a00362_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../de/dd7/a00362_source.html">partialChargeDescriptors.h</a>.</p>
183 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>183 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
184 <a·id="a0469e138bf97d138894f3fbacf49245c"·name="a0469e138bf97d138894f3fbacf49245c"></a>184 <a·id="a0469e138bf97d138894f3fbacf49245c"·name="a0469e138bf97d138894f3fbacf49245c"></a>
185 <h2·class="memtitle"><span·class="permalink"><a·href="#a0469e138bf97d138894f3fbacf49245c">&#9670;&nbsp;</a></span>RelNegativePartialCharge()·<span·class="overload">[1/2]</span></h2>185 <h2·class="memtitle"><span·class="permalink"><a·href="#a0469e138bf97d138894f3fbacf49245c">&#9670;&nbsp;</a></span>RelNegativePartialCharge()·<span·class="overload">[1/2]</span></h2>
  
186 <div·class="memitem">186 <div·class="memitem">
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188 ······<table·class="memname">188 ······<table·class="memname">
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../da/d1d/a03947.html">List·of·all·members</a>··</div>70 <a·href="../../da/d1d/a03947.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::LineBasedFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d8/d08/a02143.html">General·Purpose·File·Formats</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::LineBasedFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d8/d08/a02143.html">General·Purpose·File·Formats</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../da/d45/a00011_source.html">BALL/FORMAT/lineBasedFile.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/FORMAT/lineBasedFile.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::LineBasedFile:</div>76 Inheritance·diagram·for·BALL::LineBasedFile:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../dc/d61/a03950.png"·usemap="#BALL::LineBasedFile_map"·alt=""/>79 ··<img·src="../../dc/d61/a03950.png"·usemap="#BALL::LineBasedFile_map"·alt=""/>
80 ··<map·id="BALL::LineBasedFile_map"·name="BALL::LineBasedFile_map">80 ··<map·id="BALL::LineBasedFile_map"·name="BALL::LineBasedFile_map">
81 <area·href="../../db/d42/a07350.html"·alt="BALL::File"·shape="rect"·coords="270,336,440,360"/>81 <area·href="../../db/d42/a07350.html"·alt="BALL::File"·shape="rect"·coords="270,336,440,360"/>
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342 <tr·class="separator:aa2e31799b270990fd18ca981b68229be·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>342 <tr·class="separator:aa2e31799b270990fd18ca981b68229be·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
343 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>343 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>
344 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>344 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
345 </table>345 </table>
346 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>346 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
347 <div·class="textblock"><p·>A·class·for·the·convenient·parsing·of·line-based·file·formats.·</p>347 <div·class="textblock"><p·>A·class·for·the·convenient·parsing·of·line-based·file·formats.·</p>
  
348 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d45/a00011_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../da/d45/a00011_source.html">lineBasedFile.h</a>.</p>348 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d69/a00878_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d5/d69/a00878_source.html">lineBasedFile.h</a>.</p>
349 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>349 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
350 <a·id="a442709c7d34e5e38a5484dca7c1a7651"·name="a442709c7d34e5e38a5484dca7c1a7651"></a>350 <a·id="a442709c7d34e5e38a5484dca7c1a7651"·name="a442709c7d34e5e38a5484dca7c1a7651"></a>
351 <h2·class="memtitle"><span·class="permalink"><a·href="#a442709c7d34e5e38a5484dca7c1a7651">&#9670;&nbsp;</a></span>LineBasedFile()·<span·class="overload">[1/2]</span></h2>351 <h2·class="memtitle"><span·class="permalink"><a·href="#a442709c7d34e5e38a5484dca7c1a7651">&#9670;&nbsp;</a></span>LineBasedFile()·<span·class="overload">[1/2]</span></h2>
  
352 <div·class="memitem">352 <div·class="memitem">
353 <div·class="memproto">353 <div·class="memproto">
354 ······<table·class="memname">354 ······<table·class="memname">
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983 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>983 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
984 ··</tr>984 ··</tr>
985 </table>985 </table>
986 </div><div·class="memdoc">986 </div><div·class="memdoc">
  
987 <p>buffer·for·column·parsing·</p>987 <p>buffer·for·column·parsing·</p>
  
988 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d45/a00011_source.html#l00181">181</a>·of·file·<a·class="el"·href="../../da/d45/a00011_source.html">lineBasedFile.h</a>.</p>988 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d69/a00878_source.html#l00181">181</a>·of·file·<a·class="el"·href="../../d5/d69/a00878_source.html">lineBasedFile.h</a>.</p>
  
989 </div>989 </div>
990 </div>990 </div>
991 <a·id="a26e413d05a52dada6af82a90982366ef"·name="a26e413d05a52dada6af82a90982366ef"></a>991 <a·id="a26e413d05a52dada6af82a90982366ef"·name="a26e413d05a52dada6af82a90982366ef"></a>
992 <h2·class="memtitle"><span·class="permalink"><a·href="#a26e413d05a52dada6af82a90982366ef">&#9670;&nbsp;</a></span>line_</h2>992 <h2·class="memtitle"><span·class="permalink"><a·href="#a26e413d05a52dada6af82a90982366ef">&#9670;&nbsp;</a></span>line_</h2>
  
993 <div·class="memitem">993 <div·class="memitem">
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1009 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>1009 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
1010 ··</tr>1010 ··</tr>
1011 </table>1011 </table>
1012 </div><div·class="memdoc">1012 </div><div·class="memdoc">
  
1013 <p>buffer·for·the·line·in·use·</p>1013 <p>buffer·for·the·line·in·use·</p>
  
1014 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d45/a00011_source.html#l00173">173</a>·of·file·<a·class="el"·href="../../da/d45/a00011_source.html">lineBasedFile.h</a>.</p>1014 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d69/a00878_source.html#l00173">173</a>·of·file·<a·class="el"·href="../../d5/d69/a00878_source.html">lineBasedFile.h</a>.</p>
  
1015 </div>1015 </div>
1016 </div>1016 </div>
1017 <a·id="afbe494087d077bb9c9fca1eefe56bc30"·name="afbe494087d077bb9c9fca1eefe56bc30"></a>1017 <a·id="afbe494087d077bb9c9fca1eefe56bc30"·name="afbe494087d077bb9c9fca1eefe56bc30"></a>
1018 <h2·class="memtitle"><span·class="permalink"><a·href="#afbe494087d077bb9c9fca1eefe56bc30">&#9670;&nbsp;</a></span>line_number_</h2>1018 <h2·class="memtitle"><span·class="permalink"><a·href="#afbe494087d077bb9c9fca1eefe56bc30">&#9670;&nbsp;</a></span>line_number_</h2>
  
1019 <div·class="memitem">1019 <div·class="memitem">
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1035 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>1035 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
1036 ··</tr>1036 ··</tr>
1037 </table>1037 </table>
1038 </div><div·class="memdoc">1038 </div><div·class="memdoc">
  
1039 <p>line·number·in·the·file·</p>1039 <p>line·number·in·the·file·</p>
  
1040 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d45/a00011_source.html#l00176">176</a>·of·file·<a·class="el"·href="../../da/d45/a00011_source.html">lineBasedFile.h</a>.</p>1040 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d69/a00878_source.html#l00176">176</a>·of·file·<a·class="el"·href="../../d5/d69/a00878_source.html">lineBasedFile.h</a>.</p>
  
1041 </div>1041 </div>
1042 </div>1042 </div>
1043 <a·id="af960bcc5b735d96140c5f24815f0814e"·name="af960bcc5b735d96140c5f24815f0814e"></a>1043 <a·id="af960bcc5b735d96140c5f24815f0814e"·name="af960bcc5b735d96140c5f24815f0814e"></a>
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1045 <div·class="memitem">1045 <div·class="memitem">
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1059 ··</td>1059 ··</td>
1060 ··<td·class="mlabels-right">1060 ··<td·class="mlabels-right">
1061 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>1061 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
1062 ··</tr>1062 ··</tr>
1063 </table>1063 </table>
1064 </div><div·class="memdoc">1064 </div><div·class="memdoc">
  
1065 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d45/a00011_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../da/d45/a00011_source.html">lineBasedFile.h</a>.</p>1065 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d69/a00878_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../d5/d69/a00878_source.html">lineBasedFile.h</a>.</p>
  
1066 </div>1066 </div>
1067 </div>1067 </div>
1068 </div><!--·contents·-->1068 </div><!--·contents·-->
1069 <!--·start·footer·part·-->1069 <!--·start·footer·part·-->
1070 <hr·class="footer"/><address·class="footer"><small>1070 <hr·class="footer"/><address·class="footer"><small>
1071 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.41071 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d7/d1c/a04747.html">List·of·all·members</a>··</div>71 <a·href="../../d7/d1c/a04747.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Sp3HybridizedPredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Sp3HybridizedPredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Sp3HybridizedPredicate:</div>77 Inheritance·diagram·for·BALL::Sp3HybridizedPredicate:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../dc/d64/a04750.png"·usemap="#BALL::Sp3HybridizedPredicate_map"·alt=""/>80 ··<img·src="../../dc/d64/a04750.png"·usemap="#BALL::Sp3HybridizedPredicate_map"·alt=""/>
81 ··<map·id="BALL::Sp3HybridizedPredicate_map"·name="BALL::Sp3HybridizedPredicate_map">81 ··<map·id="BALL::Sp3HybridizedPredicate_map"·name="BALL::Sp3HybridizedPredicate_map">
82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Predicate·indicating·sp3·hybridized·atoms.·</p>122 <div·class="textblock"><p·>Predicate·indicating·sp3·hybridized·atoms.·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00760">760</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00760">760</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
125 <a·id="a04fe4f9bb9b83abd8e0fe45bcd0cb6f0"·name="a04fe4f9bb9b83abd8e0fe45bcd0cb6f0"></a>125 <a·id="a04fe4f9bb9b83abd8e0fe45bcd0cb6f0"·name="a04fe4f9bb9b83abd8e0fe45bcd0cb6f0"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a04fe4f9bb9b83abd8e0fe45bcd0cb6f0">&#9670;&nbsp;</a></span>operator()()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a04fe4f9bb9b83abd8e0fe45bcd0cb6f0">&#9670;&nbsp;</a></span>operator()()</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
128 <div·class="memproto">128 <div·class="memproto">
129 <table·class="mlabels">129 <table·class="mlabels">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../d6/df6/a05611.html">List·of·all·members</a>··</div>72 <a·href="../../d6/df6/a05611.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::QSAR::BayesModel·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::QSAR::BayesModel·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d8/d98/a02009_source.html">BALL/QSAR/bayesModel.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d0/dc4/a00443_source.html">BALL/QSAR/bayesModel.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::QSAR::BayesModel:</div>78 Inheritance·diagram·for·BALL::QSAR::BayesModel:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../dc/d69/a05614.png"·usemap="#BALL::QSAR::BayesModel_map"·alt=""/>81 ··<img·src="../../dc/d69/a05614.png"·usemap="#BALL::QSAR::BayesModel_map"·alt=""/>
82 ··<map·id="BALL::QSAR::BayesModel_map"·name="BALL::QSAR::BayesModel_map">82 ··<map·id="BALL::QSAR::BayesModel_map"·name="BALL::QSAR::BayesModel_map">
83 <area·href="../../d4/dff/a05618.html"·alt="BALL::QSAR::ClassificationModel"·shape="rect"·coords="105,56,305,80"/>83 <area·href="../../d4/dff/a05618.html"·alt="BALL::QSAR::ClassificationModel"·shape="rect"·coords="105,56,305,80"/>
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248 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>248 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
249 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>249 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>
250 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>250 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
251 </table>251 </table>
252 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>252 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
253 <div·class="textblock"><p·>interface·class·for·all·Bayes·classification·models·</p>253 <div·class="textblock"><p·>interface·class·for·all·Bayes·classification·models·</p>
  
254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d98/a02009_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../d8/d98/a02009_source.html">bayesModel.h</a>.</p>254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc4/a00443_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../d0/dc4/a00443_source.html">bayesModel.h</a>.</p>
255 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>255 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
256 <a·id="aaa532c8604c904a197910b99f6a8fd59"·name="aaa532c8604c904a197910b99f6a8fd59"></a>256 <a·id="aaa532c8604c904a197910b99f6a8fd59"·name="aaa532c8604c904a197910b99f6a8fd59"></a>
257 <h2·class="memtitle"><span·class="permalink"><a·href="#aaa532c8604c904a197910b99f6a8fd59">&#9670;&nbsp;</a></span>BayesModel()</h2>257 <h2·class="memtitle"><span·class="permalink"><a·href="#aaa532c8604c904a197910b99f6a8fd59">&#9670;&nbsp;</a></span>BayesModel()</h2>
  
258 <div·class="memitem">258 <div·class="memitem">
259 <div·class="memproto">259 <div·class="memproto">
260 ······<table·class="memname">260 ······<table·class="memname">
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391 ··<td·class="mlabels-right">391 ··<td·class="mlabels-right">
392 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>392 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
393 ··</tr>393 ··</tr>
394 </table>394 </table>
395 </div><div·class="memdoc">395 </div><div·class="memdoc">
396 <p·>the·minimal·desired·difference·between·the·predicted·class·and·the·second·best·class.·If·the·difference·is·smaller·than·this·value,·undef_act_class_id_·should·be·used·instead.·</p>396 <p·>the·minimal·desired·difference·between·the·predicted·class·and·the·second·best·class.·If·the·difference·is·smaller·than·this·value,·undef_act_class_id_·should·be·used·instead.·</p>
  
397 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d98/a02009_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d8/d98/a02009_source.html">bayesModel.h</a>.</p>397 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc4/a00443_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d0/dc4/a00443_source.html">bayesModel.h</a>.</p>
  
398 </div>398 </div>
399 </div>399 </div>
400 <a·id="a3706db0d81423bf3e734edb510824c86"·name="a3706db0d81423bf3e734edb510824c86"></a>400 <a·id="a3706db0d81423bf3e734edb510824c86"·name="a3706db0d81423bf3e734edb510824c86"></a>
401 <h2·class="memtitle"><span·class="permalink"><a·href="#a3706db0d81423bf3e734edb510824c86">&#9670;&nbsp;</a></span>undef_act_class_id_</h2>401 <h2·class="memtitle"><span·class="permalink"><a·href="#a3706db0d81423bf3e734edb510824c86">&#9670;&nbsp;</a></span>undef_act_class_id_</h2>
  
402 <div·class="memitem">402 <div·class="memitem">
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416 ··<td·class="mlabels-right">416 ··<td·class="mlabels-right">
417 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>417 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
418 ··</tr>418 ··</tr>
419 </table>419 </table>
420 </div><div·class="memdoc">420 </div><div·class="memdoc">
421 <p·>the·class_id·that·is·to·be·assigned,·if·no·class·could·be·savely·predicted,·if·difference·between·best·and·second·best·potential·class·is·smaller·than·min_prob_diff_·</p>421 <p·>the·class_id·that·is·to·be·assigned,·if·no·class·could·be·savely·predicted,·if·difference·between·best·and·second·best·potential·class·is·smaller·than·min_prob_diff_·</p>
  
422 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d98/a02009_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d8/d98/a02009_source.html">bayesModel.h</a>.</p>422 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc4/a00443_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d0/dc4/a00443_source.html">bayesModel.h</a>.</p>
  
423 </div>423 </div>
424 </div>424 </div>
425 </div><!--·contents·-->425 </div><!--·contents·-->
426 <!--·start·footer·part·-->426 <!--·start·footer·part·-->
427 <hr·class="footer"/><address·class="footer"><small>427 <hr·class="footer"/><address·class="footer"><small>
428 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4428 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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156 ········</tr>156 ········</tr>
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159 <p·>Input·operator·reads·in·two·instances·of·<a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>:·<b>p,·n</b>·</p>159 <p·>Input·operator·reads·in·two·instances·of·<a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>:·<b>p,·n</b>·</p>
  
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">cartoonModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">pluginDialog.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d31/a01208_source.html">BALL/VIEW/MODELS/backboneModel.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
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75 </div>78 </div>
76 <p><a·href="../../dc/d70/a01187_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../dc/d70/a01187_source.html">Go·to·the·source·code·of·this·file.</a></p>
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65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">forwardIterator.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">triangulatedSurface.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/da5/a01598_source.html">BALL/CONCEPT/baseIterator.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d20/a01790_source.html">BALL/STRUCTURE/triangle.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d4/d41/a01661_source.html">BALL/STRUCTURE/triangleEdge.h</a>&gt;</code><br·/>
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 77 <code>#include·&lt;<a·class="el"·href="../../d9/d39/a00257_source.html">BALL/MATHS/plane3.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../dd/dd7/a00260_source.html">BALL/MATHS/surface.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;list&gt;</code><br·/>
 81 <code>#include·&lt;vector&gt;</code><br·/>
75 </div>82 </div>
76 <p><a·href="../../dc/d71/a01664_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../dc/d71/a01664_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">84 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d1b/a03286.html">BALL::ConstForwardIterator&lt;·Container,·DataType,·Position,·Traits·&gt;</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6f/a07322.html">BALL::TriangulatedSurface</a></td></tr>
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82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d85/a03290.html">BALL::ForwardIterator&lt;·Container,·DataType,·Position,·Traits·&gt;</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d2a/a07326.html">BALL::TriangulatedSphere</a></td></tr>
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83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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86 Namespaces</h2></td></tr>95 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>96 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 </table><table·class="memberdecls">
 99 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 100 Functions</h2></td></tr>
 101 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>
 102 <tr·class="memitem:ga45d118dec43b8f807e4136d36445e0d2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga45d118dec43b8f807e4136d36445e0d2">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·TriangulatedSurface·&amp;surface)</td></tr>
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89 </table>104 </table>
90 </div><!--·contents·-->105 </div><!--·contents·-->
91 <!--·start·footer·part·-->106 <!--·start·footer·part·-->
92 <hr·class="footer"/><address·class="footer"><small>107 <hr·class="footer"/><address·class="footer"><small>
93 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4108 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../d7/dc5/a06143.html">List·of·all·members</a>··</div>72 <a·href="../../d7/dc5/a06143.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::GridBasedScoring::GridSetsResult·Struct·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::GridBasedScoring::GridSetsResult·Struct·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../df/da9/a00263_source.html">BALL/SCORING/COMMON/gridBasedScoring.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d3/def/a01985_source.html">BALL/SCORING/COMMON/gridBasedScoring.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a77c29988714d75e0a32c81cdd29c7352"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d71/a06146.html#a77c29988714d75e0a32c81cdd29c7352">setup</a>·(<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·no_gridSets)</td></tr>80 <tr·class="memitem:a77c29988714d75e0a32c81cdd29c7352"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d71/a06146.html#a77c29988714d75e0a32c81cdd29c7352">setup</a>·(<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·no_gridSets)</td></tr>
81 <tr·class="separator:a77c29988714d75e0a32c81cdd29c7352"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a77c29988714d75e0a32c81cdd29c7352"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
Offset 88, 15 lines modifiedOffset 88, 15 lines modified
88 <tr·class="memitem:a454a9778c11ab5b050c101e41fb44c99"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d71/a06146.html#a454a9778c11ab5b050c101e41fb44c99">no_neighbors</a></td></tr>88 <tr·class="memitem:a454a9778c11ab5b050c101e41fb44c99"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d71/a06146.html#a454a9778c11ab5b050c101e41fb44c99">no_neighbors</a></td></tr>
89 <tr·class="separator:a454a9778c11ab5b050c101e41fb44c99"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a454a9778c11ab5b050c101e41fb44c99"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a5f36a179da381555bdcb4d75a2cbf5c6"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d71/a06146.html#a5f36a179da381555bdcb4d75a2cbf5c6">no_out_of_grid</a></td></tr>90 <tr·class="memitem:a5f36a179da381555bdcb4d75a2cbf5c6"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d71/a06146.html#a5f36a179da381555bdcb4d75a2cbf5c6">no_out_of_grid</a></td></tr>
91 <tr·class="separator:a5f36a179da381555bdcb4d75a2cbf5c6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a5f36a179da381555bdcb4d75a2cbf5c6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/da9/a00263_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../df/da9/a00263_source.html">gridBasedScoring.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a01985_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../d3/def/a01985_source.html">gridBasedScoring.h</a>.</p>
96 </div><h2·class="groupheader">Member·Function·Documentation</h2>96 </div><h2·class="groupheader">Member·Function·Documentation</h2>
97 <a·id="a77c29988714d75e0a32c81cdd29c7352"·name="a77c29988714d75e0a32c81cdd29c7352"></a>97 <a·id="a77c29988714d75e0a32c81cdd29c7352"·name="a77c29988714d75e0a32c81cdd29c7352"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a77c29988714d75e0a32c81cdd29c7352">&#9670;&nbsp;</a></span>setup()</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a77c29988714d75e0a32c81cdd29c7352">&#9670;&nbsp;</a></span>setup()</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 ······<table·class="memname">101 ······<table·class="memname">
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122 ········<tr>122 ········<tr>
123 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::GridBasedScoring::GridSetsResult::gridSet_scores</td>123 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::GridBasedScoring::GridSetsResult::gridSet_scores</td>
124 ········</tr>124 ········</tr>
125 ······</table>125 ······</table>
126 </div><div·class="memdoc">126 </div><div·class="memdoc">
127 <p·>contains·one·energy·value·per·GridSet·</p>127 <p·>contains·one·energy·value·per·GridSet·</p>
  
128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/da9/a00263_source.html#l00099">99</a>·of·file·<a·class="el"·href="../../df/da9/a00263_source.html">gridBasedScoring.h</a>.</p>128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a01985_source.html#l00099">99</a>·of·file·<a·class="el"·href="../../d3/def/a01985_source.html">gridBasedScoring.h</a>.</p>
  
129 </div>129 </div>
130 </div>130 </div>
131 <a·id="a454a9778c11ab5b050c101e41fb44c99"·name="a454a9778c11ab5b050c101e41fb44c99"></a>131 <a·id="a454a9778c11ab5b050c101e41fb44c99"·name="a454a9778c11ab5b050c101e41fb44c99"></a>
132 <h2·class="memtitle"><span·class="permalink"><a·href="#a454a9778c11ab5b050c101e41fb44c99">&#9670;&nbsp;</a></span>no_neighbors</h2>132 <h2·class="memtitle"><span·class="permalink"><a·href="#a454a9778c11ab5b050c101e41fb44c99">&#9670;&nbsp;</a></span>no_neighbors</h2>
  
133 <div·class="memitem">133 <div·class="memitem">
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139 ········<tr>139 ········<tr>
140 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::GridBasedScoring::GridSetsResult::no_neighbors</td>140 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::GridBasedScoring::GridSetsResult::no_neighbors</td>
141 ········</tr>141 ········</tr>
142 ······</table>142 ······</table>
143 </div><div·class="memdoc">143 </div><div·class="memdoc">
144 <p·>for·each·GridSet,·it·contains·the·average·number·of·neighbors·to·each·atom·of·the·current·ligand·</p>144 <p·>for·each·GridSet,·it·contains·the·average·number·of·neighbors·to·each·atom·of·the·current·ligand·</p>
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/da9/a00263_source.html#l00102">102</a>·of·file·<a·class="el"·href="../../df/da9/a00263_source.html">gridBasedScoring.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a01985_source.html#l00102">102</a>·of·file·<a·class="el"·href="../../d3/def/a01985_source.html">gridBasedScoring.h</a>.</p>
  
146 </div>146 </div>
147 </div>147 </div>
148 <a·id="a5f36a179da381555bdcb4d75a2cbf5c6"·name="a5f36a179da381555bdcb4d75a2cbf5c6"></a>148 <a·id="a5f36a179da381555bdcb4d75a2cbf5c6"·name="a5f36a179da381555bdcb4d75a2cbf5c6"></a>
149 <h2·class="memtitle"><span·class="permalink"><a·href="#a5f36a179da381555bdcb4d75a2cbf5c6">&#9670;&nbsp;</a></span>no_out_of_grid</h2>149 <h2·class="memtitle"><span·class="permalink"><a·href="#a5f36a179da381555bdcb4d75a2cbf5c6">&#9670;&nbsp;</a></span>no_out_of_grid</h2>
  
150 <div·class="memitem">150 <div·class="memitem">
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156 ········<tr>156 ········<tr>
157 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&gt;·BALL::GridBasedScoring::GridSetsResult::no_out_of_grid</td>157 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&gt;·BALL::GridBasedScoring::GridSetsResult::no_out_of_grid</td>
158 ········</tr>158 ········</tr>
159 ······</table>159 ······</table>
160 </div><div·class="memdoc">160 </div><div·class="memdoc">
161 <p·>for·each·GridSet,·it·contains·the·number·of·atoms·of·the·current·ligand·that·lie·outside·of·the·GridSet·</p>161 <p·>for·each·GridSet,·it·contains·the·number·of·atoms·of·the·current·ligand·that·lie·outside·of·the·GridSet·</p>
  
162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/da9/a00263_source.html#l00105">105</a>·of·file·<a·class="el"·href="../../df/da9/a00263_source.html">gridBasedScoring.h</a>.</p>162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a01985_source.html#l00105">105</a>·of·file·<a·class="el"·href="../../d3/def/a01985_source.html">gridBasedScoring.h</a>.</p>
  
163 </div>163 </div>
164 </div>164 </div>
165 </div><!--·contents·-->165 </div><!--·contents·-->
166 <!--·start·footer·part·-->166 <!--·start·footer·part·-->
167 <hr·class="footer"/><address·class="footer"><small>167 <hr·class="footer"/><address·class="footer"><small>
168 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4168 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../d3/dd2/a05215.html">List·of·all·members</a>··</div>71 <a·href="../../d3/dd2/a05215.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::StrangLBFGSMinimizer::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::StrangLBFGSMinimizer::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../df/d4c/a00851_source.html">BALL/MOLMEC/MINIMIZATION/strangLBFGS.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/MOLMEC/MINIMIZATION/strangLBFGS.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a66d9bb0b86a3821053b56bdde64632ee"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d72/a05218.html#a66d9bb0b86a3821053b56bdde64632ee">IMPROVED</a></td></tr>79 <tr·class="memitem:a66d9bb0b86a3821053b56bdde64632ee"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d72/a05218.html#a66d9bb0b86a3821053b56bdde64632ee">IMPROVED</a></td></tr>
80 <tr·class="separator:a66d9bb0b86a3821053b56bdde64632ee"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a66d9bb0b86a3821053b56bdde64632ee"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a119b5980f1875c966ebf87ec2aae406e"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d72/a05218.html#a119b5980f1875c966ebf87ec2aae406e">NUM_OF_STORED_VECT_PAIRS</a></td></tr>81 <tr·class="memitem:a119b5980f1875c966ebf87ec2aae406e"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d72/a05218.html#a119b5980f1875c966ebf87ec2aae406e">NUM_OF_STORED_VECT_PAIRS</a></td></tr>
82 <tr·class="separator:a119b5980f1875c966ebf87ec2aae406e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a119b5980f1875c966ebf87ec2aae406e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock">85 <div·class="textblock">
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d4c/a00851_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../df/d4c/a00851_source.html">strangLBFGS.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">strangLBFGS.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="a66d9bb0b86a3821053b56bdde64632ee"·name="a66d9bb0b86a3821053b56bdde64632ee"></a>88 <a·id="a66d9bb0b86a3821053b56bdde64632ee"·name="a66d9bb0b86a3821053b56bdde64632ee"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#a66d9bb0b86a3821053b56bdde64632ee">&#9670;&nbsp;</a></span>IMPROVED</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#a66d9bb0b86a3821053b56bdde64632ee">&#9670;&nbsp;</a></span>IMPROVED</h2>
  
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103 ··<td·class="mlabels-right">103 ··<td·class="mlabels-right">
104 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>104 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
105 ··</tr>105 ··</tr>
106 </table>106 </table>
107 </div><div·class="memdoc">107 </div><div·class="memdoc">
108 <p·>Should·the·improved·version·be·used?·<a·class="el"·href="../../dc/d72/a05218.html">Default</a>·is·false.·</p>108 <p·>Should·the·improved·version·be·used?·<a·class="el"·href="../../dc/d72/a05218.html">Default</a>·is·false.·</p>
  
109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d4c/a00851_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../df/d4c/a00851_source.html">strangLBFGS.h</a>.</p>109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">strangLBFGS.h</a>.</p>
  
110 </div>110 </div>
111 </div>111 </div>
112 <a·id="a119b5980f1875c966ebf87ec2aae406e"·name="a119b5980f1875c966ebf87ec2aae406e"></a>112 <a·id="a119b5980f1875c966ebf87ec2aae406e"·name="a119b5980f1875c966ebf87ec2aae406e"></a>
113 <h2·class="memtitle"><span·class="permalink"><a·href="#a119b5980f1875c966ebf87ec2aae406e">&#9670;&nbsp;</a></span>NUM_OF_STORED_VECT_PAIRS</h2>113 <h2·class="memtitle"><span·class="permalink"><a·href="#a119b5980f1875c966ebf87ec2aae406e">&#9670;&nbsp;</a></span>NUM_OF_STORED_VECT_PAIRS</h2>
  
114 <div·class="memitem">114 <div·class="memitem">
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128 ··<td·class="mlabels-right">128 ··<td·class="mlabels-right">
129 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>129 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
130 ··</tr>130 ··</tr>
131 </table>131 </table>
132 </div><div·class="memdoc">132 </div><div·class="memdoc">
133 <p·>Maximum·number·of·stored·vector·pairs.·<a·class="el"·href="../../dc/d72/a05218.html">Default</a>·is·5.·</p>133 <p·>Maximum·number·of·stored·vector·pairs.·<a·class="el"·href="../../dc/d72/a05218.html">Default</a>·is·5.·</p>
  
134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d4c/a00851_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../df/d4c/a00851_source.html">strangLBFGS.h</a>.</p>134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">strangLBFGS.h</a>.</p>
  
135 </div>135 </div>
136 </div>136 </div>
137 </div><!--·contents·-->137 </div><!--·contents·-->
138 <!--·start·footer·part·-->138 <!--·start·footer·part·-->
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140 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4140 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 <a·href="../../de/d11/a03267.html">List·of·all·members</a>··</div>71 <a·href="../../de/d11/a03267.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::EnumeratorIndex::IncompatibleIndex·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::EnumeratorIndex::IncompatibleIndex·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dd/deb/a01628_source.html">BALL/CONCEPT/enumerator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d8b/a00821_source.html">BALL/CONCEPT/enumerator.h</a>&gt;</code></p>
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79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../dc/d77/a03270.png"·usemap="#BALL::EnumeratorIndex::IncompatibleIndex_map"·alt=""/>80 ··<img·src="../../dc/d77/a03270.png"·usemap="#BALL::EnumeratorIndex::IncompatibleIndex_map"·alt=""/>
81 ··<map·id="BALL::EnumeratorIndex::IncompatibleIndex_map"·name="BALL::EnumeratorIndex::IncompatibleIndex_map">81 ··<map·id="BALL::EnumeratorIndex::IncompatibleIndex_map"·name="BALL::EnumeratorIndex::IncompatibleIndex_map">
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·for·reporting·incompatible·<a·class="el"·href="../../d6/d8d/a03266.html">EnumeratorIndex</a>·instances,·i.e.·instances·with·different·moduli.·</p>136 <div·class="textblock"><p·><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·for·reporting·incompatible·<a·class="el"·href="../../d6/d8d/a03266.html">EnumeratorIndex</a>·instances,·i.e.·instances·with·different·moduli.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/deb/a01628_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../dd/deb/a01628_source.html">enumerator.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8b/a00821_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d6/d8b/a00821_source.html">enumerator.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="a25d5e2777c7803aa370c0aa23a959aa9"·name="a25d5e2777c7803aa370c0aa23a959aa9"></a>139 <a·id="a25d5e2777c7803aa370c0aa23a959aa9"·name="a25d5e2777c7803aa370c0aa23a959aa9"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a25d5e2777c7803aa370c0aa23a959aa9">&#9670;&nbsp;</a></span>IncompatibleIndex()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a25d5e2777c7803aa370c0aa23a959aa9">&#9670;&nbsp;</a></span>IncompatibleIndex()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
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143 ······<table·class="memname">143 ······<table·class="memname">
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../de/d01/a05519.html">List·of·all·members</a>··</div>70 <a·href="../../de/d01/a05519.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::RandomCoilShiftProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d61/a02179.html">Nuclear·Magnetic·Resonance·Spectroscopy</a>·&raquo;·<a·class="el"·href="../../d5/db4/a02182.html">Shift·modules</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::RandomCoilShiftProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d61/a02179.html">Nuclear·Magnetic·Resonance·Spectroscopy</a>·&raquo;·<a·class="el"·href="../../d5/db4/a02182.html">Shift·modules</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../df/d70/a00431_source.html">BALL/NMR/randomCoilShiftProcessor.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d4/d99/a01634_source.html">BALL/NMR/randomCoilShiftProcessor.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::RandomCoilShiftProcessor:</div>76 Inheritance·diagram·for·BALL::RandomCoilShiftProcessor:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../dc/d79/a05522.png"·usemap="#BALL::RandomCoilShiftProcessor_map"·alt=""/>79 ··<img·src="../../dc/d79/a05522.png"·usemap="#BALL::RandomCoilShiftProcessor_map"·alt=""/>
80 ··<map·id="BALL::RandomCoilShiftProcessor_map"·name="BALL::RandomCoilShiftProcessor_map">80 ··<map·id="BALL::RandomCoilShiftProcessor_map"·name="BALL::RandomCoilShiftProcessor_map">
81 <area·href="../../df/de9/a05538.html"·alt="BALL::ShiftModule"·shape="rect"·coords="0,112,316,136"/>81 <area·href="../../df/de9/a05538.html"·alt="BALL::ShiftModule"·shape="rect"·coords="0,112,316,136"/>
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171 <tr·class="separator:a8cc2dbd8f03470ba9e692e2314e1ed39·inherit·pro_attribs_a05538"><td·class="memSeparator"·colspan="2">&#160;</td></tr>171 <tr·class="separator:a8cc2dbd8f03470ba9e692e2314e1ed39·inherit·pro_attribs_a05538"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
172 <tr·class="memitem:ac11c2bfe6d81e9c47aa2400f58750bd2·inherit·pro_attribs_a05538"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a05538.html#ac11c2bfe6d81e9c47aa2400f58750bd2">valid_</a></td></tr>172 <tr·class="memitem:ac11c2bfe6d81e9c47aa2400f58750bd2·inherit·pro_attribs_a05538"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a05538.html#ac11c2bfe6d81e9c47aa2400f58750bd2">valid_</a></td></tr>
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174 </table>174 </table>
175 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>175 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
176 <div·class="textblock"><p·>Random·coil·shift·assignment·processor.·&lt;&gt;·</p>176 <div·class="textblock"><p·>Random·coil·shift·assignment·processor.·&lt;&gt;·</p>
  
177 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d70/a00431_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../df/d70/a00431_source.html">randomCoilShiftProcessor.h</a>.</p>177 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d99/a01634_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d4/d99/a01634_source.html">randomCoilShiftProcessor.h</a>.</p>
178 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>178 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
179 <a·id="a95b063332eb8bea15a36cb4f4438a09f"·name="a95b063332eb8bea15a36cb4f4438a09f"></a>179 <a·id="a95b063332eb8bea15a36cb4f4438a09f"·name="a95b063332eb8bea15a36cb4f4438a09f"></a>
180 <h2·class="memtitle"><span·class="permalink"><a·href="#a95b063332eb8bea15a36cb4f4438a09f">&#9670;&nbsp;</a></span>RandomCoilShiftProcessor()·<span·class="overload">[1/2]</span></h2>180 <h2·class="memtitle"><span·class="permalink"><a·href="#a95b063332eb8bea15a36cb4f4438a09f">&#9670;&nbsp;</a></span>RandomCoilShiftProcessor()·<span·class="overload">[1/2]</span></h2>
  
181 <div·class="memitem">181 <div·class="memitem">
182 <div·class="memproto">182 <div·class="memproto">
183 ······<table·class="memname">183 ······<table·class="memname">
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316 ··<td·class="mlabels-right">316 ··<td·class="mlabels-right">
317 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>317 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
318 ··</tr>318 ··</tr>
319 </table>319 </table>
320 </div><div·class="memdoc">320 </div><div·class="memdoc">
321 <p·>A·symbolic·name·for·the·random·coil·contribution·to·the·chemical·shift·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../df/de9/a05538.html#aac00de78f850f08f81f0dfc97283387d">ShiftModule::PROPERTY__SHIFT</a>·</dd></dl>321 <p·>A·symbolic·name·for·the·random·coil·contribution·to·the·chemical·shift·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../df/de9/a05538.html#aac00de78f850f08f81f0dfc97283387d">ShiftModule::PROPERTY__SHIFT</a>·</dd></dl>
  
322 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d70/a00431_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../df/d70/a00431_source.html">randomCoilShiftProcessor.h</a>.</p>322 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d99/a01634_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d4/d99/a01634_source.html">randomCoilShiftProcessor.h</a>.</p>
  
323 </div>323 </div>
324 </div>324 </div>
325 <a·id="af8efb1ef01e03c490ec795c1abb35e61"·name="af8efb1ef01e03c490ec795c1abb35e61"></a>325 <a·id="af8efb1ef01e03c490ec795c1abb35e61"·name="af8efb1ef01e03c490ec795c1abb35e61"></a>
326 <h2·class="memtitle"><span·class="permalink"><a·href="#af8efb1ef01e03c490ec795c1abb35e61">&#9670;&nbsp;</a></span>shift_map_</h2>326 <h2·class="memtitle"><span·class="permalink"><a·href="#af8efb1ef01e03c490ec795c1abb35e61">&#9670;&nbsp;</a></span>shift_map_</h2>
  
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340 ··</td>340 ··</td>
341 ··<td·class="mlabels-right">341 ··<td·class="mlabels-right">
342 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>342 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
343 ··</tr>343 ··</tr>
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345 </div><div·class="memdoc">345 </div><div·class="memdoc">
  
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347 </div>347 </div>
348 </div>348 </div>
349 </div><!--·contents·-->349 </div><!--·contents·-->
350 <!--·start·footer·part·-->350 <!--·start·footer·part·-->
351 <hr·class="footer"/><address·class="footer"><small>351 <hr·class="footer"/><address·class="footer"><small>
352 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4352 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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72 <a·href="../../d5/d09/a03651.html">List·of·all·members</a>··</div>72 <a·href="../../d5/d09/a03651.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::DockResult::Scoring_·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::DockResult::Scoring_·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d8/deb/a00545_source.html">BALL/DOCKING/COMMON/dockResult.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d7/d29/a01589_source.html">BALL/DOCKING/COMMON/dockResult.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:ad695c097e3573c6730a73f50f150ab18"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d7b/a03654.html#ad695c097e3573c6730a73f50f150ab18">Scoring_</a>·()··throw·()</td></tr>80 <tr·class="memitem:ad695c097e3573c6730a73f50f150ab18"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d7b/a03654.html#ad695c097e3573c6730a73f50f150ab18">Scoring_</a>·()··throw·()</td></tr>
81 <tr·class="separator:ad695c097e3573c6730a73f50f150ab18"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:ad695c097e3573c6730a73f50f150ab18"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:af7a22e77a17e26b62c04d90abaff5286"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d7b/a03654.html#af7a22e77a17e26b62c04d90abaff5286">Scoring_</a>·(const·<a·class="el"·href="../../dc/d7b/a03654.html">Scoring_</a>·&amp;scoring)··throw·()</td></tr>82 <tr·class="memitem:af7a22e77a17e26b62c04d90abaff5286"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d7b/a03654.html#af7a22e77a17e26b62c04d90abaff5286">Scoring_</a>·(const·<a·class="el"·href="../../dc/d7b/a03654.html">Scoring_</a>·&amp;scoring)··throw·()</td></tr>
83 <tr·class="separator:af7a22e77a17e26b62c04d90abaff5286"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:af7a22e77a17e26b62c04d90abaff5286"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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99 <tr·class="separator:a12ba3cf798aa36025fa41b1fe96e4794"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:a12ba3cf798aa36025fa41b1fe96e4794"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 <tr·class="memitem:ad1cbc00827f3c64880f52a2e0f58c77d"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d7b/a03654.html#ad1cbc00827f3c64880f52a2e0f58c77d">snapshot_order_</a></td></tr>100 <tr·class="memitem:ad1cbc00827f3c64880f52a2e0f58c77d"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d7b/a03654.html#ad1cbc00827f3c64880f52a2e0f58c77d">snapshot_order_</a></td></tr>
101 <tr·class="separator:ad1cbc00827f3c64880f52a2e0f58c77d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>101 <tr·class="separator:ad1cbc00827f3c64880f52a2e0f58c77d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 </table>102 </table>
103 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>103 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
104 <div·class="textblock"><p·>Nested·class·in·<a·class="el"·href="../../d9/d3c/a03650.html">DockResult</a>.·This·class·contains·information·about·the·scoring:·name·of·the·scoring·function,·options·of·the·function·and·scores·</p>104 <div·class="textblock"><p·>Nested·class·in·<a·class="el"·href="../../d9/d3c/a03650.html">DockResult</a>.·This·class·contains·information·about·the·scoring:·name·of·the·scoring·function,·options·of·the·function·and·scores·</p>
  
105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/deb/a00545_source.html#l00212">212</a>·of·file·<a·class="el"·href="../../d8/deb/a00545_source.html">dockResult.h</a>.</p>105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d29/a01589_source.html#l00212">212</a>·of·file·<a·class="el"·href="../../d7/d29/a01589_source.html">dockResult.h</a>.</p>
106 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>106 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
107 <a·id="ad695c097e3573c6730a73f50f150ab18"·name="ad695c097e3573c6730a73f50f150ab18"></a>107 <a·id="ad695c097e3573c6730a73f50f150ab18"·name="ad695c097e3573c6730a73f50f150ab18"></a>
108 <h2·class="memtitle"><span·class="permalink"><a·href="#ad695c097e3573c6730a73f50f150ab18">&#9670;&nbsp;</a></span>Scoring_()·<span·class="overload">[1/3]</span></h2>108 <h2·class="memtitle"><span·class="permalink"><a·href="#ad695c097e3573c6730a73f50f150ab18">&#9670;&nbsp;</a></span>Scoring_()·<span·class="overload">[1/3]</span></h2>
  
109 <div·class="memitem">109 <div·class="memitem">
110 <div·class="memproto">110 <div·class="memproto">
111 ······<table·class="memname">111 ······<table·class="memname">
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261 ········<tr>261 ········<tr>
262 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::DockResult::Scoring_::name_</td>262 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::DockResult::Scoring_::name_</td>
263 ········</tr>263 ········</tr>
264 ······</table>264 ······</table>
265 </div><div·class="memdoc">265 </div><div·class="memdoc">
266 <p·>Name·of·scoring·function·</p>266 <p·>Name·of·scoring·function·</p>
  
267 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/deb/a00545_source.html#l00240">240</a>·of·file·<a·class="el"·href="../../d8/deb/a00545_source.html">dockResult.h</a>.</p>267 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d29/a01589_source.html#l00240">240</a>·of·file·<a·class="el"·href="../../d7/d29/a01589_source.html">dockResult.h</a>.</p>
  
268 </div>268 </div>
269 </div>269 </div>
270 <a·id="a0365841c6c42c997569827f3eb191301"·name="a0365841c6c42c997569827f3eb191301"></a>270 <a·id="a0365841c6c42c997569827f3eb191301"·name="a0365841c6c42c997569827f3eb191301"></a>
271 <h2·class="memtitle"><span·class="permalink"><a·href="#a0365841c6c42c997569827f3eb191301">&#9670;&nbsp;</a></span>options_</h2>271 <h2·class="memtitle"><span·class="permalink"><a·href="#a0365841c6c42c997569827f3eb191301">&#9670;&nbsp;</a></span>options_</h2>
  
272 <div·class="memitem">272 <div·class="memitem">
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278 ········<tr>278 ········<tr>
279 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::DockResult::Scoring_::options_</td>279 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::DockResult::Scoring_::options_</td>
280 ········</tr>280 ········</tr>
281 ······</table>281 ······</table>
282 </div><div·class="memdoc">282 </div><div·class="memdoc">
283 <p·>options·of·scoring·function·</p>283 <p·>options·of·scoring·function·</p>
  
284 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/deb/a00545_source.html#l00243">243</a>·of·file·<a·class="el"·href="../../d8/deb/a00545_source.html">dockResult.h</a>.</p>284 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d29/a01589_source.html#l00243">243</a>·of·file·<a·class="el"·href="../../d7/d29/a01589_source.html">dockResult.h</a>.</p>
  
285 </div>285 </div>
286 </div>286 </div>
287 <a·id="a12ba3cf798aa36025fa41b1fe96e4794"·name="a12ba3cf798aa36025fa41b1fe96e4794"></a>287 <a·id="a12ba3cf798aa36025fa41b1fe96e4794"·name="a12ba3cf798aa36025fa41b1fe96e4794"></a>
288 <h2·class="memtitle"><span·class="permalink"><a·href="#a12ba3cf798aa36025fa41b1fe96e4794">&#9670;&nbsp;</a></span>scores_</h2>288 <h2·class="memtitle"><span·class="permalink"><a·href="#a12ba3cf798aa36025fa41b1fe96e4794">&#9670;&nbsp;</a></span>scores_</h2>
  
289 <div·class="memitem">289 <div·class="memitem">
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295 ········<tr>295 ········<tr>
296 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../de/ded/a09238.html">float</a>&gt;·BALL::DockResult::Scoring_::scores_</td>296 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../de/ded/a09238.html">float</a>&gt;·BALL::DockResult::Scoring_::scores_</td>
297 ········</tr>297 ········</tr>
298 ······</table>298 ······</table>
299 </div><div·class="memdoc">299 </div><div·class="memdoc">
300 <p·>Vector·of·scores·The·score·at·position·i·belongs·to·the·snapshot·i·</p>300 <p·>Vector·of·scores·The·score·at·position·i·belongs·to·the·snapshot·i·</p>
  
301 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/deb/a00545_source.html#l00247">247</a>·of·file·<a·class="el"·href="../../d8/deb/a00545_source.html">dockResult.h</a>.</p>301 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d29/a01589_source.html#l00247">247</a>·of·file·<a·class="el"·href="../../d7/d29/a01589_source.html">dockResult.h</a>.</p>
  
302 </div>302 </div>
303 </div>303 </div>
304 <a·id="ad1cbc00827f3c64880f52a2e0f58c77d"·name="ad1cbc00827f3c64880f52a2e0f58c77d"></a>304 <a·id="ad1cbc00827f3c64880f52a2e0f58c77d"·name="ad1cbc00827f3c64880f52a2e0f58c77d"></a>
305 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1cbc00827f3c64880f52a2e0f58c77d">&#9670;&nbsp;</a></span>snapshot_order_</h2>305 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1cbc00827f3c64880f52a2e0f58c77d">&#9670;&nbsp;</a></span>snapshot_order_</h2>
  
306 <div·class="memitem">306 <div·class="memitem">
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312 ········<tr>312 ········<tr>
313 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>&gt;·BALL::DockResult::Scoring_::snapshot_order_</td>313 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>&gt;·BALL::DockResult::Scoring_::snapshot_order_</td>
314 ········</tr>314 ········</tr>
315 ······</table>315 ······</table>
316 </div><div·class="memdoc">316 </div><div·class="memdoc">
317 <p·>Vector·of·snapshot·indices·The·indices·are·sorted·by·their·scores·</p>317 <p·>Vector·of·snapshot·indices·The·indices·are·sorted·by·their·scores·</p>
  
318 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/deb/a00545_source.html#l00251">251</a>·of·file·<a·class="el"·href="../../d8/deb/a00545_source.html">dockResult.h</a>.</p>318 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d29/a01589_source.html#l00251">251</a>·of·file·<a·class="el"·href="../../d7/d29/a01589_source.html">dockResult.h</a>.</p>
  
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 64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
 65 </div>
62 </div><!--·top·-->66 </div><!--·top·-->
63 <div·class="header">67 <div·class="header">
 68 ··<div·class="summary">
 69 <a·href="#nested-classes">Classes</a>·&#124;
 70 <a·href="#namespaces">Namespaces</a>·&#124;
 71 <a·href="#define-members">Macros</a>··</div>
64 ··<div·class="headertitle"><div·class="title">common.doc·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">KERNEL/system.h·File·Reference</div></div>
65 </div><!--header-->73 </div><!--header-->
66 <div·class="contents">74 <div·class="contents">
 75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d19/a00515_source.html">BALL/KERNEL/atomIterator.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d2/da3/a00593_source.html">BALL/KERNEL/moleculeIterator.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d4/d33/a00536_source.html">BALL/KERNEL/proteinIterator.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d6/d60/a00491_source.html">BALL/KERNEL/nucleicAcidIterator.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../dc/d25/a00596_source.html">BALL/KERNEL/nucleotideIterator.h</a>&gt;</code><br·/>
 80 </div>
 81 <p><a·href="../../dc/d83/a20365_source.html">Go·to·the·source·code·of·this·file.</a></p>
 82 <table·class="memberdecls">
 83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
 84 Classes</h2></td></tr>
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 86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 87 </table><table·class="memberdecls">
 88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
 89 Namespaces</h2></td></tr>
 90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
 91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 92 </table><table·class="memberdecls">
 93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>
 94 Macros</h2></td></tr>
 95 <tr·class="memitem:a3d592d448896b68f7604a694faf44178"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d83/a20365.html#a3d592d448896b68f7604a694faf44178">BALL_SYSTEM_DEFAULT_NAME</a>&#160;&#160;&#160;&quot;&quot;</td></tr>
 96 <tr·class="separator:a3d592d448896b68f7604a694faf44178"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 </table>
 98 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 99 <a·id="a3d592d448896b68f7604a694faf44178"·name="a3d592d448896b68f7604a694faf44178"></a>
 100 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d592d448896b68f7604a694faf44178">&#9670;&nbsp;</a></span>BALL_SYSTEM_DEFAULT_NAME</h2>
  
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 102 <div·class="memproto">
 103 ······<table·class="memname">
 104 ········<tr>
 105 ··········<td·class="memname">#define·BALL_SYSTEM_DEFAULT_NAME&#160;&#160;&#160;&quot;&quot;</td>
 106 ········</tr>
 107 ······</table>
 108 </div><div·class="memdoc">
  
 109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">KERNEL/system.h</a>.</p>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_ad1580e676f9584aa3f77966a7e41e8d.html">AMBER</a></li>··</ul>
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67 <div·class="header">67 <div·class="header">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
 71 <a·href="#define-members">Macros</a>··</div>
71 ··<div·class="headertitle"><div·class="title">JCAMPFile.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">amberNonBonded.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d45/a00011_source.html">BALL/FORMAT/lineBasedFile.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d3/df8/a00155_source.html">BALL/MOLMEC/PARAMETER/lennardJones.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d5/db1/a00140_source.html">BALL/MOLMEC/PARAMETER/potential1210.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../db/dab/a00089_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/d17/a01937_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>79 <code>#include·&lt;<a·class="el"·href="../../d9/d77/a00095_source.html">BALL/MOLMEC/COMMON/support.h</a>&gt;</code><br·/>
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77 <p><a·href="../../dc/d87/a00032_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../dc/d87/a00032_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">82 <table·class="memberdecls">
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 113 </div>
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71 ··<div·class="headertitle"><div·class="title">preferencesObject.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">peakList.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d49/a01643_source.html">BALL/NMR/peak.h</a>&gt;</code><br·/>
75 <code>#include·&lt;QtCore/QObject&gt;</code><br·/> 
76 </div>75 </div>
77 <p><a·href="../../dc/d87/a01649_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../dc/d87/a01649_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">77 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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85 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
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87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 91 <tr><td·colspan="2"><div·class="groupText"><p·>&lt;&gt;·</p>
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 93 <tr·class="memitem:a147b02dc6fe8db6d8e0a607b551f3ab7"><td·class="memItemLeft"·align="right"·valign="top">typedef·PeakList&lt;·Peak&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a147b02dc6fe8db6d8e0a607b551f3ab7">BALL::PeakList1D</a></td></tr>
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 95 <tr·class="separator:a147b02dc6fe8db6d8e0a607b551f3ab7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 98 <tr·class="separator:afa5217338072cf3e3bd6c861e2e39c95"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 100 <tr·class="memdesc:a837700ec6ab4be3bf83509e44e0844c5"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">3D·peak·list··<a·href="../../da/da2/a02217.html#a837700ec6ab4be3bf83509e44e0844c5">More...</a><br·/></td></tr>
 101 <tr·class="separator:a837700ec6ab4be3bf83509e44e0844c5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>102 </table>
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90 <!--·start·footer·part·-->104 <!--·start·footer·part·-->
91 <hr·class="footer"/><address·class="footer"><small>105 <hr·class="footer"/><address·class="footer"><small>
92 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">experiment.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">surfaceBase.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d7e/a00434_source.html">BALL/NMR/peakList.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d9d/a00464_source.html">BALL/QSAR/descriptor.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d9d/a00464_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d8/d23/a00326_source.html">BALL/KERNEL/expression.h</a>&gt;</code><br·/> 
77 </div>75 </div>
78 <p><a·href="../../dc/d8e/a00473_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../dc/d8e/a00473_source.html">Go·to·the·source·code·of·this·file.</a></p>
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80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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88 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
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91 </table><table·class="memberdecls"> 
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
93 Typedefs</h2></td></tr> 
94 <tr><td·colspan="2"><div·class="groupHeader">Convenience·typedefs</div></td></tr> 
95 <tr><td·colspan="2"><div·class="groupText"><p·>&lt;&gt;·</p> 
96 </div></td></tr> 
97 <tr·class="memitem:a97eea5b3769e23e7de1f1cdeb83c314e"><td·class="memItemLeft"·align="right"·valign="top">typedef·Experiment&lt;·PeakList1D·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a97eea5b3769e23e7de1f1cdeb83c314e">BALL::Experiment1D</a></td></tr> 
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100 <tr·class="separator:ae52ce629adf68a48f51eb37b6f593466"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
101 </table>87 </table>
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65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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71 ··<div·class="headertitle"><div·class="title">shortcutDialog.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">notificationEvent.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;QtCore/QEvent&gt;</code><br·/>
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../d9/d7c/a01073_source.html">BALL/VIEW/KERNEL/shortcutRegistry.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code><br·/>
77 <code>#include·&lt;BALL/VIEW/UIC/ui_shortcutDialog.h&gt;</code><br·/> 
78 </div>76 </div>
79 <p><a·href="../../dc/d8e/a01331_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../dc/d8e/a01331_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">78 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>80 Classes</h2></td></tr>
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84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
87 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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8 <title>BALL:·solventAccessibleSurface.h·File·Reference</title>8 <title>BALL:·spaceGroupParameters.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_52a4bffbb942fe992d286b640b8d4d08.html">XRAY</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">solventAccessibleSurface.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">spaceGroupParameters.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/STRUCTURE/SASEdge.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d3/d00/a00785_source.html">BALL/STRUCTURE/SASFace.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/STRUCTURE/SASVertex.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d5/d0a/a00602_source.html">BALL/STRUCTURE/reducedSurface.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../db/d09/a01838_source.html">BALL/MATHS/sphere3.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
79 <code>#include·&lt;vector&gt;</code><br·/> 
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78 <p><a·href="../../dc/d93/a01535_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../dc/d93/a01535_source.html">Go·to·the·source·code·of·this·file.</a></p>
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81 <p><a·href="../../dc/d96/a01517_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../dc/d96/a01517_source.html">Go·to·the·source·code·of·this·file.</a></p>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">polarSolvation.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">box3.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/dc8/a00242_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/SOLVATION/poissonBoltzmann.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../dd/d20/a01772_source.html">BALL/SOLVATION/generalizedBornCase.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
77 </div>76 </div>
78 <p><a·href="../../dc/d9a/a00218_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../dc/d9a/a00218_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">78 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>80 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d59/a06346.html">BALL::PolarSolvation</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da6/a04782.html">BALL::TBox3&lt;·T·&gt;</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d1c/a06350.html">BALL::PolarSolvation::Option</a></td></tr> 
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/df9/a06354.html">BALL::PolarSolvation::Default</a></td></tr> 
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90 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Storers</h2></td></tr>
 90 <tr·class="memitem:gaaae87380cfb6e34bf383d58b667ec0ba"><td·class="memItemLeft"·align="right"·valign="top">typedef·TBox3&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gaaae87380cfb6e34bf383d58b667ec0ba">BALL::Box3</a></td></tr>
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 92 <tr·class="memitem:gad6a9fed3a1192e25c51ba83ca3cb7a61"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr>
 93 <tr·class="memitem:gad6a9fed3a1192e25c51ba83ca3cb7a61"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gad6a9fed3a1192e25c51ba83ca3cb7a61">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·TBox3&lt;·T·&gt;·&amp;box)</td></tr>
 94 <tr·class="separator:gad6a9fed3a1192e25c51ba83ca3cb7a61"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 <tr·class="memitem:ga580c33abace8070619fef74dd4ded398"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr>
 96 <tr·class="memitem:ga580c33abace8070619fef74dd4ded398"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga580c33abace8070619fef74dd4ded398">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·TBox3&lt;·T·&gt;·&amp;box)</td></tr>
 97 <tr·class="separator:ga580c33abace8070619fef74dd4ded398"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table>98 </table>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d0/d64/a04443.html">List·of·all·members</a>··</div>70 <a·href="../../d0/d64/a04443.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::TrajectoryFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../df/de7/a02142.html">Molecular·Dynamics·Trajectory·File·Formats</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::TrajectoryFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../df/de7/a02142.html">Molecular·Dynamics·Trajectory·File·Formats</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d2/de7/a00014_source.html">BALL/FORMAT/trajectoryFile.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d8/d38/a00926_source.html">BALL/FORMAT/trajectoryFile.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::TrajectoryFile:</div>76 Inheritance·diagram·for·BALL::TrajectoryFile:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../dc/da0/a04446.png"·usemap="#BALL::TrajectoryFile_map"·alt=""/>79 ··<img·src="../../dc/da0/a04446.png"·usemap="#BALL::TrajectoryFile_map"·alt=""/>
80 ··<map·id="BALL::TrajectoryFile_map"·name="BALL::TrajectoryFile_map">80 ··<map·id="BALL::TrajectoryFile_map"·name="BALL::TrajectoryFile_map">
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297 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>297 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>
298 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>298 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
299 </table>299 </table>
300 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>300 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
301 <div·class="textblock"><p·>Trajectory·file·format·for·MD·simulation.·This·is·more·an·interface·definition·than·an·actual·class,·because·it·would·not·make·too·much·sense·to·create·yet-another-trajectory-format.·This·class·will·be·specialized·by·actual·formats,·like·DCD.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>301 <div·class="textblock"><p·>Trajectory·file·format·for·MD·simulation.·This·is·more·an·interface·definition·than·an·actual·class,·because·it·would·not·make·too·much·sense·to·create·yet-another-trajectory-format.·This·class·will·be·specialized·by·actual·formats,·like·DCD.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
302 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/de7/a00014_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d2/de7/a00014_source.html">trajectoryFile.h</a>.</p>302 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d38/a00926_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d8/d38/a00926_source.html">trajectoryFile.h</a>.</p>
303 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>303 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
304 <a·id="a776955708015b38257a99d518459e9c0"·name="a776955708015b38257a99d518459e9c0"></a>304 <a·id="a776955708015b38257a99d518459e9c0"·name="a776955708015b38257a99d518459e9c0"></a>
305 <h2·class="memtitle"><span·class="permalink"><a·href="#a776955708015b38257a99d518459e9c0">&#9670;&nbsp;</a></span>TrajectoryFile()·<span·class="overload">[1/2]</span></h2>305 <h2·class="memtitle"><span·class="permalink"><a·href="#a776955708015b38257a99d518459e9c0">&#9670;&nbsp;</a></span>TrajectoryFile()·<span·class="overload">[1/2]</span></h2>
  
306 <div·class="memitem">306 <div·class="memitem">
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672 ··</td>672 ··</td>
673 ··<td·class="mlabels-right">673 ··<td·class="mlabels-right">
674 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>674 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
675 ··</tr>675 ··</tr>
676 </table>676 </table>
677 </div><div·class="memdoc">677 </div><div·class="memdoc">
  
678 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/de7/a00014_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d2/de7/a00014_source.html">trajectoryFile.h</a>.</p>678 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d38/a00926_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d8/d38/a00926_source.html">trajectoryFile.h</a>.</p>
  
679 </div>679 </div>
680 </div>680 </div>
681 <a·id="a84d9bbeefae2e43473d9c456c8527972"·name="a84d9bbeefae2e43473d9c456c8527972"></a>681 <a·id="a84d9bbeefae2e43473d9c456c8527972"·name="a84d9bbeefae2e43473d9c456c8527972"></a>
682 <h2·class="memtitle"><span·class="permalink"><a·href="#a84d9bbeefae2e43473d9c456c8527972">&#9670;&nbsp;</a></span>number_of_snapshots_</h2>682 <h2·class="memtitle"><span·class="permalink"><a·href="#a84d9bbeefae2e43473d9c456c8527972">&#9670;&nbsp;</a></span>number_of_snapshots_</h2>
  
683 <div·class="memitem">683 <div·class="memitem">
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696 ··</td>696 ··</td>
697 ··<td·class="mlabels-right">697 ··<td·class="mlabels-right">
698 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>698 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
699 ··</tr>699 ··</tr>
700 </table>700 </table>
701 </div><div·class="memdoc">701 </div><div·class="memdoc">
  
702 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/de7/a00014_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../d2/de7/a00014_source.html">trajectoryFile.h</a>.</p>702 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d38/a00926_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../d8/d38/a00926_source.html">trajectoryFile.h</a>.</p>
  
703 </div>703 </div>
704 </div>704 </div>
705 </div><!--·contents·-->705 </div><!--·contents·-->
706 <!--·start·footer·part·-->706 <!--·start·footer·part·-->
707 <hr·class="footer"/><address·class="footer"><small>707 <hr·class="footer"/><address·class="footer"><small>
708 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4708 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="../../d3/d07/a07691.html">List·of·all·members</a>··</div>70 <a·href="../../d3/d07/a07691.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Preferences·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Preferences·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d8/dbe/a01370_source.html">BALL/VIEW/DIALOGS/preferences.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d6/d0f/a01256_source.html">BALL/VIEW/DIALOGS/preferences.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::Preferences:</div>76 Inheritance·diagram·for·BALL::VIEW::Preferences:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../dc/da1/a07694.png"·usemap="#BALL::VIEW::Preferences_map"·alt=""/>79 ··<img·src="../../dc/da1/a07694.png"·usemap="#BALL::VIEW::Preferences_map"·alt=""/>
80 ··<map·id="BALL::VIEW::Preferences_map"·name="BALL::VIEW::Preferences_map">80 ··<map·id="BALL::VIEW::Preferences_map"·name="BALL::VIEW::Preferences_map">
81 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,156,24"/>81 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,156,24"/>
Offset 149, 15 lines modifiedOffset 149, 15 lines modified
149 <tr·class="separator:ad7bba0553cd6444e7429157d441f4839"><td·class="memSeparator"·colspan="2">&#160;</td></tr>149 <tr·class="separator:ad7bba0553cd6444e7429157d441f4839"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
150 <tr·class="memitem:adb6f719276d70dedc546bddadab1755e"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da1/a07694.html#adb6f719276d70dedc546bddadab1755e">applied</a>·()</td></tr>150 <tr·class="memitem:adb6f719276d70dedc546bddadab1755e"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da1/a07694.html#adb6f719276d70dedc546bddadab1755e">applied</a>·()</td></tr>
151 <tr·class="separator:adb6f719276d70dedc546bddadab1755e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>151 <tr·class="separator:adb6f719276d70dedc546bddadab1755e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
152 </table>152 </table>
153 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>153 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
154 <div·class="textblock"><p·><a·class="el"·href="../../dc/da1/a07694.html">Preferences</a>·is·a·dialog·for·other·preference·pages·to·be·inserted.·An·interface·for·adding·and·removing·the·pages·is·available.·The·<a·class="el"·href="../../dc/da1/a07694.html">Preferences</a>·dialog·will·be·created·by·the·<a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>.·All·<a·class="el"·href="../../d0/d8a/a07922.html">ModularWidget</a>·classes·can·add·their·own·preferences·pages.·</p>154 <div·class="textblock"><p·><a·class="el"·href="../../dc/da1/a07694.html">Preferences</a>·is·a·dialog·for·other·preference·pages·to·be·inserted.·An·interface·for·adding·and·removing·the·pages·is·available.·The·<a·class="el"·href="../../dc/da1/a07694.html">Preferences</a>·dialog·will·be·created·by·the·<a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>.·All·<a·class="el"·href="../../d0/d8a/a07922.html">ModularWidget</a>·classes·can·add·their·own·preferences·pages.·</p>
  
155 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbe/a01370_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../d8/dbe/a01370_source.html">preferences.h</a>.</p>155 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d0f/a01256_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../d6/d0f/a01256_source.html">preferences.h</a>.</p>
156 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>156 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
157 <a·id="a149d572c0472fa349de50354ab1eb99d"·name="a149d572c0472fa349de50354ab1eb99d"></a>157 <a·id="a149d572c0472fa349de50354ab1eb99d"·name="a149d572c0472fa349de50354ab1eb99d"></a>
158 <h2·class="memtitle"><span·class="permalink"><a·href="#a149d572c0472fa349de50354ab1eb99d">&#9670;&nbsp;</a></span>Preferences()·<span·class="overload">[1/2]</span></h2>158 <h2·class="memtitle"><span·class="permalink"><a·href="#a149d572c0472fa349de50354ab1eb99d">&#9670;&nbsp;</a></span>Preferences()·<span·class="overload">[1/2]</span></h2>
  
159 <div·class="memitem">159 <div·class="memitem">
160 <div·class="memproto">160 <div·class="memproto">
161 ······<table·class="memname">161 ······<table·class="memname">
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761 ··</td>761 ··</td>
762 ··<td·class="mlabels-right">762 ··<td·class="mlabels-right">
763 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>763 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
764 ··</tr>764 ··</tr>
765 </table>765 </table>
766 </div><div·class="memdoc">766 </div><div·class="memdoc">
  
767 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbe/a01370_source.html#l00161">161</a>·of·file·<a·class="el"·href="../../d8/dbe/a01370_source.html">preferences.h</a>.</p>767 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d0f/a01256_source.html#l00161">161</a>·of·file·<a·class="el"·href="../../d6/d0f/a01256_source.html">preferences.h</a>.</p>
  
768 </div>768 </div>
769 </div>769 </div>
770 <a·id="a7cfce884162f5ae0d5374001960f8979"·name="a7cfce884162f5ae0d5374001960f8979"></a>770 <a·id="a7cfce884162f5ae0d5374001960f8979"·name="a7cfce884162f5ae0d5374001960f8979"></a>
771 <h2·class="memtitle"><span·class="permalink"><a·href="#a7cfce884162f5ae0d5374001960f8979">&#9670;&nbsp;</a></span>item_to_entry_</h2>771 <h2·class="memtitle"><span·class="permalink"><a·href="#a7cfce884162f5ae0d5374001960f8979">&#9670;&nbsp;</a></span>item_to_entry_</h2>
  
772 <div·class="memitem">772 <div·class="memitem">
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785 ··</td>785 ··</td>
786 ··<td·class="mlabels-right">786 ··<td·class="mlabels-right">
787 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>787 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
788 ··</tr>788 ··</tr>
789 </table>789 </table>
790 </div><div·class="memdoc">790 </div><div·class="memdoc">
  
791 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbe/a01370_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../d8/dbe/a01370_source.html">preferences.h</a>.</p>791 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d0f/a01256_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../d6/d0f/a01256_source.html">preferences.h</a>.</p>
  
792 </div>792 </div>
793 </div>793 </div>
794 <a·id="ac16c2c52ecb02d29bcd4a3dc2a11855a"·name="ac16c2c52ecb02d29bcd4a3dc2a11855a"></a>794 <a·id="ac16c2c52ecb02d29bcd4a3dc2a11855a"·name="ac16c2c52ecb02d29bcd4a3dc2a11855a"></a>
795 <h2·class="memtitle"><span·class="permalink"><a·href="#ac16c2c52ecb02d29bcd4a3dc2a11855a">&#9670;&nbsp;</a></span>item_to_widget_</h2>795 <h2·class="memtitle"><span·class="permalink"><a·href="#ac16c2c52ecb02d29bcd4a3dc2a11855a">&#9670;&nbsp;</a></span>item_to_widget_</h2>
  
796 <div·class="memitem">796 <div·class="memitem">
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809 ··</td>809 ··</td>
810 ··<td·class="mlabels-right">810 ··<td·class="mlabels-right">
811 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>811 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
812 ··</tr>812 ··</tr>
813 </table>813 </table>
814 </div><div·class="memdoc">814 </div><div·class="memdoc">
  
815 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbe/a01370_source.html#l00162">162</a>·of·file·<a·class="el"·href="../../d8/dbe/a01370_source.html">preferences.h</a>.</p>815 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d0f/a01256_source.html#l00162">162</a>·of·file·<a·class="el"·href="../../d6/d0f/a01256_source.html">preferences.h</a>.</p>
  
816 </div>816 </div>
817 </div>817 </div>
818 <a·id="a238c62c779f1b6750978cc28ed266c2f"·name="a238c62c779f1b6750978cc28ed266c2f"></a>818 <a·id="a238c62c779f1b6750978cc28ed266c2f"·name="a238c62c779f1b6750978cc28ed266c2f"></a>
819 <h2·class="memtitle"><span·class="permalink"><a·href="#a238c62c779f1b6750978cc28ed266c2f">&#9670;&nbsp;</a></span>widget_to_item_</h2>819 <h2·class="memtitle"><span·class="permalink"><a·href="#a238c62c779f1b6750978cc28ed266c2f">&#9670;&nbsp;</a></span>widget_to_item_</h2>
  
820 <div·class="memitem">820 <div·class="memitem">
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833 ··</td>833 ··</td>
834 ··<td·class="mlabels-right">834 ··<td·class="mlabels-right">
835 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>835 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
836 ··</tr>836 ··</tr>
837 </table>837 </table>
838 </div><div·class="memdoc">838 </div><div·class="memdoc">
  
839 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbe/a01370_source.html#l00164">164</a>·of·file·<a·class="el"·href="../../d8/dbe/a01370_source.html">preferences.h</a>.</p>839 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d0f/a01256_source.html#l00164">164</a>·of·file·<a·class="el"·href="../../d6/d0f/a01256_source.html">preferences.h</a>.</p>
  
840 </div>840 </div>
841 </div>841 </div>
842 </div><!--·contents·-->842 </div><!--·contents·-->
843 <!--·start·footer·part·-->843 <!--·start·footer·part·-->
844 <hr·class="footer"/><address·class="footer"><small>844 <hr·class="footer"/><address·class="footer"><small>
845 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4845 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d4/d5e/a07103.html">List·of·all·members</a>··</div>71 <a·href="../../d4/d5e/a07103.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::RMSDMinimizer::IncompatibleCoordinateSets·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::RMSDMinimizer::IncompatibleCoordinateSets·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d95/a00779_source.html">BALL/STRUCTURE/RMSDMinimizer.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/STRUCTURE/RMSDMinimizer.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::RMSDMinimizer::IncompatibleCoordinateSets:</div>77 Inheritance·diagram·for·BALL::RMSDMinimizer::IncompatibleCoordinateSets:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../dc/da2/a07106.png"·usemap="#BALL::RMSDMinimizer::IncompatibleCoordinateSets_map"·alt=""/>80 ··<img·src="../../dc/da2/a07106.png"·usemap="#BALL::RMSDMinimizer::IncompatibleCoordinateSets_map"·alt=""/>
81 ··<map·id="BALL::RMSDMinimizer::IncompatibleCoordinateSets_map"·name="BALL::RMSDMinimizer::IncompatibleCoordinateSets_map">81 ··<map·id="BALL::RMSDMinimizer::IncompatibleCoordinateSets_map"·name="BALL::RMSDMinimizer::IncompatibleCoordinateSets_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,301,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,301,80"/>
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130 <tr·class="memitem:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a9827a1d2efdd1dd119b848d6e10c82d7">name_</a></td></tr>130 <tr·class="memitem:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a9827a1d2efdd1dd119b848d6e10c82d7">name_</a></td></tr>
131 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>131 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock">136 <div·class="textblock">
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d95/a00779_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d3/d95/a00779_source.html">RMSDMinimizer.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">RMSDMinimizer.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="ade10d5939180bc11038e9e27d448771e"·name="ade10d5939180bc11038e9e27d448771e"></a>139 <a·id="ade10d5939180bc11038e9e27d448771e"·name="ade10d5939180bc11038e9e27d448771e"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#ade10d5939180bc11038e9e27d448771e">&#9670;&nbsp;</a></span>IncompatibleCoordinateSets()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#ade10d5939180bc11038e9e27d448771e">&#9670;&nbsp;</a></span>IncompatibleCoordinateSets()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
142 <div·class="memproto">142 <div·class="memproto">
143 ······<table·class="memname">143 ······<table·class="memname">
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71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
73 <a·href="../../dd/d71/a07423.html">List·of·all·members</a>··</div>73 <a·href="../../dd/d71/a07423.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::SimpleDownloaderHelper::UPThread·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::SimpleDownloaderHelper::UPThread·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d8/d9c/a01733_source.html">BALL/SYSTEM/simpleDownloader.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/SYSTEM/simpleDownloader.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::SimpleDownloaderHelper::UPThread:</div>79 Inheritance·diagram·for·BALL::SimpleDownloaderHelper::UPThread:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../dc/dad/a07426.png"·usemap="#BALL::SimpleDownloaderHelper::UPThread_map"·alt=""/>82 ··<img·src="../../dc/dad/a07426.png"·usemap="#BALL::SimpleDownloaderHelper::UPThread_map"·alt=""/>
83 ··<map·id="BALL::SimpleDownloaderHelper::UPThread_map"·name="BALL::SimpleDownloaderHelper::UPThread_map">83 ··<map·id="BALL::SimpleDownloaderHelper::UPThread_map"·name="BALL::SimpleDownloaderHelper::UPThread_map">
84 <area·href="../../d8/d85/a07418.html"·alt="BALL::SimpleDownloaderHelper::HelperThread"·shape="rect"·coords="0,56,276,80"/>84 <area·href="../../d8/d85/a07418.html"·alt="BALL::SimpleDownloaderHelper::HelperThread"·shape="rect"·coords="0,56,276,80"/>
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131 <tr·class="memitem:a4bb57c590d7863fd04558cdec7edb356·inherit·pro_attribs_a07418"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d85/a07418.html#a4bb57c590d7863fd04558cdec7edb356">path_</a></td></tr>131 <tr·class="memitem:a4bb57c590d7863fd04558cdec7edb356·inherit·pro_attribs_a07418"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d85/a07418.html#a4bb57c590d7863fd04558cdec7edb356">path_</a></td></tr>
132 <tr·class="separator:a4bb57c590d7863fd04558cdec7edb356·inherit·pro_attribs_a07418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>132 <tr·class="separator:a4bb57c590d7863fd04558cdec7edb356·inherit·pro_attribs_a07418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
133 <tr·class="memitem:aa745121435c7a9a4fb5c8a67590f7bf4·inherit·pro_attribs_a07418"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d4/da1/a07414.html">SimpleDownloader</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d85/a07418.html#aa745121435c7a9a4fb5c8a67590f7bf4">parent_</a></td></tr>133 <tr·class="memitem:aa745121435c7a9a4fb5c8a67590f7bf4·inherit·pro_attribs_a07418"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d4/da1/a07414.html">SimpleDownloader</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d85/a07418.html#aa745121435c7a9a4fb5c8a67590f7bf4">parent_</a></td></tr>
134 <tr·class="separator:aa745121435c7a9a4fb5c8a67590f7bf4·inherit·pro_attribs_a07418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>134 <tr·class="separator:aa745121435c7a9a4fb5c8a67590f7bf4·inherit·pro_attribs_a07418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
135 </table>135 </table>
136 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>136 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
137 <div·class="textblock">137 <div·class="textblock">
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d9c/a01733_source.html#l00181">181</a>·of·file·<a·class="el"·href="../../d8/d9c/a01733_source.html">simpleDownloader.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5c/a00752_source.html#l00181">181</a>·of·file·<a·class="el"·href="../../dd/d5c/a00752_source.html">simpleDownloader.h</a>.</p>
139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
140 <a·id="a76b1ea5be5675e04618ca7baab98e5bc"·name="a76b1ea5be5675e04618ca7baab98e5bc"></a>140 <a·id="a76b1ea5be5675e04618ca7baab98e5bc"·name="a76b1ea5be5675e04618ca7baab98e5bc"></a>
141 <h2·class="memtitle"><span·class="permalink"><a·href="#a76b1ea5be5675e04618ca7baab98e5bc">&#9670;&nbsp;</a></span>UPThread()·<span·class="overload">[1/4]</span></h2>141 <h2·class="memtitle"><span·class="permalink"><a·href="#a76b1ea5be5675e04618ca7baab98e5bc">&#9670;&nbsp;</a></span>UPThread()·<span·class="overload">[1/4]</span></h2>
  
142 <div·class="memitem">142 <div·class="memitem">
143 <div·class="memproto">143 <div·class="memproto">
144 ······<table·class="memname">144 ······<table·class="memname">
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343 ··</td>343 ··</td>
344 ··<td·class="mlabels-right">344 ··<td·class="mlabels-right">
345 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>345 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
346 ··</tr>346 ··</tr>
347 </table>347 </table>
348 </div><div·class="memdoc">348 </div><div·class="memdoc">
  
349 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d9c/a01733_source.html#l00192">192</a>·of·file·<a·class="el"·href="../../d8/d9c/a01733_source.html">simpleDownloader.h</a>.</p>349 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5c/a00752_source.html#l00192">192</a>·of·file·<a·class="el"·href="../../dd/d5c/a00752_source.html">simpleDownloader.h</a>.</p>
  
350 </div>350 </div>
351 </div>351 </div>
352 <a·id="ab4a0a96280132eaa6ca0fb71c4262a88"·name="ab4a0a96280132eaa6ca0fb71c4262a88"></a>352 <a·id="ab4a0a96280132eaa6ca0fb71c4262a88"·name="ab4a0a96280132eaa6ca0fb71c4262a88"></a>
353 <h2·class="memtitle"><span·class="permalink"><a·href="#ab4a0a96280132eaa6ca0fb71c4262a88">&#9670;&nbsp;</a></span>file_</h2>353 <h2·class="memtitle"><span·class="permalink"><a·href="#ab4a0a96280132eaa6ca0fb71c4262a88">&#9670;&nbsp;</a></span>file_</h2>
  
354 <div·class="memitem">354 <div·class="memitem">
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367 ··</td>367 ··</td>
368 ··<td·class="mlabels-right">368 ··<td·class="mlabels-right">
369 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>369 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
370 ··</tr>370 ··</tr>
371 </table>371 </table>
372 </div><div·class="memdoc">372 </div><div·class="memdoc">
  
373 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d9c/a01733_source.html#l00193">193</a>·of·file·<a·class="el"·href="../../d8/d9c/a01733_source.html">simpleDownloader.h</a>.</p>373 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5c/a00752_source.html#l00193">193</a>·of·file·<a·class="el"·href="../../dd/d5c/a00752_source.html">simpleDownloader.h</a>.</p>
  
374 </div>374 </div>
375 </div>375 </div>
376 </div><!--·contents·-->376 </div><!--·contents·-->
377 <!--·start·footer·part·-->377 <!--·start·footer·part·-->
378 <hr·class="footer"/><address·class="footer"><small>378 <hr·class="footer"/><address·class="footer"><small>
379 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4379 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../d8/d5b/a03867.html">List·of·all·members</a>··</div>71 <a·href="../../d8/d5b/a03867.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::CIFFile::State·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::CIFFile::State·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d89/a00071_source.html">BALL/FORMAT/CIFFile.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d29/a00947_source.html">BALL/FORMAT/CIFFile.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:af3eda1ccbd0089c9f7c9771a81856042"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../db/d2a/a03850.html">CIFFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/db8/a03870.html#af3eda1ccbd0089c9f7c9771a81856042">current_parser</a></td></tr>79 <tr·class="memitem:af3eda1ccbd0089c9f7c9771a81856042"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../db/d2a/a03850.html">CIFFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/db8/a03870.html#af3eda1ccbd0089c9f7c9771a81856042">current_parser</a></td></tr>
80 <tr·class="separator:af3eda1ccbd0089c9f7c9771a81856042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:af3eda1ccbd0089c9f7c9771a81856042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 </table>81 </table>
82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock"><p·><a·class="el"·href="../../dc/db8/a03870.html">State</a>·of·the·parser·</p>83 <div·class="textblock"><p·><a·class="el"·href="../../dc/db8/a03870.html">State</a>·of·the·parser·</p>
  
84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d89/a00071_source.html#l00206">206</a>·of·file·<a·class="el"·href="../../d0/d89/a00071_source.html">CIFFile.h</a>.</p>84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00206">206</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
85 </div><h2·class="groupheader">Member·Data·Documentation</h2>85 </div><h2·class="groupheader">Member·Data·Documentation</h2>
86 <a·id="af3eda1ccbd0089c9f7c9771a81856042"·name="af3eda1ccbd0089c9f7c9771a81856042"></a>86 <a·id="af3eda1ccbd0089c9f7c9771a81856042"·name="af3eda1ccbd0089c9f7c9771a81856042"></a>
87 <h2·class="memtitle"><span·class="permalink"><a·href="#af3eda1ccbd0089c9f7c9771a81856042">&#9670;&nbsp;</a></span>current_parser</h2>87 <h2·class="memtitle"><span·class="permalink"><a·href="#af3eda1ccbd0089c9f7c9771a81856042">&#9670;&nbsp;</a></span>current_parser</h2>
  
88 <div·class="memitem">88 <div·class="memitem">
89 <div·class="memproto">89 <div·class="memproto">
90 ······<table·class="memname">90 ······<table·class="memname">
91 ········<tr>91 ········<tr>
92 ··········<td·class="memname"><a·class="el"·href="../../db/d2a/a03850.html">CIFFile</a>*·BALL::CIFFile::State::current_parser</td>92 ··········<td·class="memname"><a·class="el"·href="../../db/d2a/a03850.html">CIFFile</a>*·BALL::CIFFile::State::current_parser</td>
93 ········</tr>93 ········</tr>
94 ······</table>94 ······</table>
95 </div><div·class="memdoc">95 </div><div·class="memdoc">
  
96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d89/a00071_source.html#l00208">208</a>·of·file·<a·class="el"·href="../../d0/d89/a00071_source.html">CIFFile.h</a>.</p>96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00208">208</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
  
97 </div>97 </div>
98 </div>98 </div>
99 </div><!--·contents·-->99 </div><!--·contents·-->
100 <!--·start·footer·part·-->100 <!--·start·footer·part·-->
101 <hr·class="footer"/><address·class="footer"><small>101 <hr·class="footer"/><address·class="footer"><small>
102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d6/d38/a03259.html">List·of·all·members</a>··</div>70 <a·href="../../d6/d38/a03259.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::Embeddable·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::Embeddable·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../db/dad/a01616_source.html">BALL/CONCEPT/embeddable.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d9/d30/a00848_source.html">BALL/CONCEPT/embeddable.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::Embeddable:</div>76 Inheritance·diagram·for·BALL::Embeddable:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../dc/dbb/a03262.png"·usemap="#BALL::Embeddable_map"·alt=""/>79 ··<img·src="../../dc/dbb/a03262.png"·usemap="#BALL::Embeddable_map"·alt=""/>
80 ··<map·id="BALL::Embeddable_map"·name="BALL::Embeddable_map">80 ··<map·id="BALL::Embeddable_map"·name="BALL::Embeddable_map">
81 <area·href="../../d3/de9/a07014.html"·title="This·class·provides·conversion·of·atom·names·between·naming·schemata."·alt="BALL::Peptides::NameConverter"·shape="rect"·coords="0,56,299,80"/>81 <area·href="../../d3/de9/a07014.html"·title="This·class·provides·conversion·of·atom·names·between·naming·schemata."·alt="BALL::Peptides::NameConverter"·shape="rect"·coords="0,56,299,80"/>
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160 <div·class="textblock"><p·>Python·Embedding·Base·Class.·This·class·defines·a·common·interface·for·all·classes·that·have·to·be·accessible·from·an·embedded·Python·interpreter.·Each·instance·of·a·class·derived·from·embeddable·can·be·registered·by·calling·<a·class="el"·href="../../dc/dbb/a03262.html#a0e1b26a3664edb64c4f35e3b76cd9be5">registerThis()</a>·of·the·instance·and·is·then·accessible·through·the·static·methods·of·the·class·(e.g.·getInstance).·</p><dl·class="section·user"><dt></dt><dd></dd></dl>160 <div·class="textblock"><p·>Python·Embedding·Base·Class.·This·class·defines·a·common·interface·for·all·classes·that·have·to·be·accessible·from·an·embedded·Python·interpreter.·Each·instance·of·a·class·derived·from·embeddable·can·be·registered·by·calling·<a·class="el"·href="../../dc/dbb/a03262.html#a0e1b26a3664edb64c4f35e3b76cd9be5">registerThis()</a>·of·the·instance·and·is·then·accessible·through·the·static·methods·of·the·class·(e.g.·getInstance).·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
161 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../df/da8/a05582.html">PyInterpreter</a>·</dd>161 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../df/da8/a05582.html">PyInterpreter</a>·</dd>
162 <dd>162 <dd>
163 MainControl·</dd>163 MainControl·</dd>
164 <dd>164 <dd>
165 ModularWidget·</dd></dl>165 ModularWidget·</dd></dl>
  
166 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dad/a01616_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../db/dad/a01616_source.html">embeddable.h</a>.</p>166 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d30/a00848_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../d9/d30/a00848_source.html">embeddable.h</a>.</p>
167 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>167 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
168 <a·id="a9d9514a7fb12f0c3f231c31c79eec078"·name="a9d9514a7fb12f0c3f231c31c79eec078"></a>168 <a·id="a9d9514a7fb12f0c3f231c31c79eec078"·name="a9d9514a7fb12f0c3f231c31c79eec078"></a>
169 <h2·class="memtitle"><span·class="permalink"><a·href="#a9d9514a7fb12f0c3f231c31c79eec078">&#9670;&nbsp;</a></span>EmbeddableVector</h2>169 <h2·class="memtitle"><span·class="permalink"><a·href="#a9d9514a7fb12f0c3f231c31c79eec078">&#9670;&nbsp;</a></span>EmbeddableVector</h2>
  
170 <div·class="memitem">170 <div·class="memitem">
171 <div·class="memproto">171 <div·class="memproto">
172 ······<table·class="memname">172 ······<table·class="memname">
173 ········<tr>173 ········<tr>
174 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>*&gt;·<a·class="el"·href="../../dc/dbb/a03262.html#a9d9514a7fb12f0c3f231c31c79eec078">BALL::Embeddable::EmbeddableVector</a></td>174 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>*&gt;·<a·class="el"·href="../../dc/dbb/a03262.html#a9d9514a7fb12f0c3f231c31c79eec078">BALL::Embeddable::EmbeddableVector</a></td>
175 ········</tr>175 ········</tr>
176 ······</table>176 ······</table>
177 </div><div·class="memdoc">177 </div><div·class="memdoc">
  
178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dad/a01616_source.html#l00088">88</a>·of·file·<a·class="el"·href="../../db/dad/a01616_source.html">embeddable.h</a>.</p>178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d30/a00848_source.html#l00088">88</a>·of·file·<a·class="el"·href="../../d9/d30/a00848_source.html">embeddable.h</a>.</p>
  
179 </div>179 </div>
180 </div>180 </div>
181 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>181 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
182 <a·id="a2fc764a4dabaa9011fe830cbf2e2aceb"·name="a2fc764a4dabaa9011fe830cbf2e2aceb"></a>182 <a·id="a2fc764a4dabaa9011fe830cbf2e2aceb"·name="a2fc764a4dabaa9011fe830cbf2e2aceb"></a>
183 <h2·class="memtitle"><span·class="permalink"><a·href="#a2fc764a4dabaa9011fe830cbf2e2aceb">&#9670;&nbsp;</a></span>Embeddable()·<span·class="overload">[1/2]</span></h2>183 <h2·class="memtitle"><span·class="permalink"><a·href="#a2fc764a4dabaa9011fe830cbf2e2aceb">&#9670;&nbsp;</a></span>Embeddable()·<span·class="overload">[1/2]</span></h2>
  
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465 ······</table>465 ······</table>
466 ··</td>466 ··</td>
467 ··<td·class="mlabels-right">467 ··<td·class="mlabels-right">
468 <span·class="mlabels"><span·class="mlabel">virtual</span></span>··</td>468 <span·class="mlabels"><span·class="mlabel">virtual</span></span>··</td>
469 ··</tr>469 ··</tr>
470 </table>470 </table>
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65 </div> 
66 </div><!--·top·-->62 </div><!--·top·-->
67 <div·class="header">63 <div·class="header">
68 ··<div·class="summary"> 
69 <a·href="#nested-classes">Classes</a>·&#124; 
70 <a·href="#namespaces">Namespaces</a>··</div> 
71 ··<div·class="headertitle"><div·class="title">modelSettingsDialog.h·File·Reference</div></div>64 ··<div·class="headertitle"><div·class="title">primitives.doc·File·Reference</div></div>
72 </div><!--header-->65 </div><!--header-->
73 <div·class="contents">66 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../dd/d43/a01193_source.html">BALL/VIEW/MODELS/modelProcessor.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d0/df7/a20389_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;BALL/VIEW/UIC/ui_modelSettingsDialog.h&gt;</code><br·/> 
79 <code>#include·&lt;QtWidgets/QCheckBox&gt;</code><br·/> 
80 <code>#include·&lt;QtWidgets/QLabel&gt;</code><br·/> 
81 </div> 
82 <p><a·href="../../dc/dbc/a01391_source.html">Go·to·the·source·code·of·this·file.</a></p> 
83 <table·class="memberdecls"> 
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
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86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d69/a07650.html">BALL::VIEW::ModelSettingsDialog</a></td></tr> 
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88 </table><table·class="memberdecls"> 
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
90 Namespaces</h2></td></tr> 
91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
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93 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
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99 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.470 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../dc/d54/a05339.html">List·of·all·members</a>··</div>70 <a·href="../../dc/d54/a05339.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::AtomTypes·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::AtomTypes·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d8/db7/a00812_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d9/db6/a00146_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code></p>
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77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../dc/dbc/a05342.png"·usemap="#BALL::AtomTypes_map"·alt=""/>79 ··<img·src="../../dc/dbc/a05342.png"·usemap="#BALL::AtomTypes_map"·alt=""/>
80 ··<map·id="BALL::AtomTypes_map"·name="BALL::AtomTypes_map">80 ··<map·id="BALL::AtomTypes_map"·name="BALL::AtomTypes_map">
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187 <div·class="textblock"><p·>Force·Field·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·Type·Class.</p>187 <div·class="textblock"><p·>Force·Field·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·Type·Class.</p>
188 <p·>Molecular·Mechanics·Parameter:·class·describing·the·atom·type·section·of·a·parameter·file.·</p>188 <p·>Molecular·Mechanics·Parameter:·class·describing·the·atom·type·section·of·a·parameter·file.·</p>
  
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488 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4488 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DeviceEvent·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DeviceEvent·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d53/a01262_source.html">BALL/VIEW/INPUT/deviceEvent.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/df4/a01322_source.html">BALL/VIEW/INPUT/deviceEvent.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
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78 <div·class="dyncontent">78 <div·class="dyncontent">
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81 ··<map·id="BALL::VIEW::DeviceEvent_map"·name="BALL::VIEW::DeviceEvent_map">81 ··<map·id="BALL::VIEW::DeviceEvent_map"·name="BALL::VIEW::DeviceEvent_map">
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76 <p><a·href="../../dc/dc9/a00389_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../dc/dc9/a00389_source.html">Go·to·the·source·code·of·this·file.</a></p>
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74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../da/d36/a00650_source.html">BALL/STRUCTURE/hybridisationProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/d27/a01763_source.html">BALL/STRUCTURE/hybridisationProcessor.h</a>&gt;</code></p>
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88 <tr·class="separator:a9c6dce2c9b8cedc914232336712e2164"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:a9c6dce2c9b8cedc914232336712e2164"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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104 ······</table>104 ······</table>
105 </div><div·class="memdoc">105 </div><div·class="memdoc">
  
106 <p>First·atom.·</p>106 <p>First·atom.·</p>
  
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108 </div>108 </div>
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120 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::HybridisationProcessor::AtomNames_::a2</td>120 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::HybridisationProcessor::AtomNames_::a2</td>
121 ········</tr>121 ········</tr>
122 ······</table>122 ······</table>
123 </div><div·class="memdoc">123 </div><div·class="memdoc">
  
124 <p>Second·atom.·</p>124 <p>Second·atom.·</p>
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00190">190</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">hybridisationProcessor.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00190">190</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
  
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127 </div>127 </div>
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138 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::HybridisationProcessor::AtomNames_::a3</td>138 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::HybridisationProcessor::AtomNames_::a3</td>
139 ········</tr>139 ········</tr>
140 ······</table>140 ······</table>
141 </div><div·class="memdoc">141 </div><div·class="memdoc">
  
142 <p>Third·atom.·</p>142 <p>Third·atom.·</p>
  
143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00192">192</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">hybridisationProcessor.h</a>.</p>143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00192">192</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
  
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">HBondProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">networking.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../df/d15/a00416_source.html">BALL/KERNEL/residue.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
78 <code>#include·&lt;vector&gt;</code><br·/> 
79 <code>#include·&lt;map&gt;</code><br·/>76 <code>#include·&lt;boost/asio.hpp&gt;</code><br·/>
 77 <code>#include·&lt;QtCore/QThread&gt;</code><br·/>
80 </div>78 </div>
81 <p><a·href="../../dc/dce/a00740_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../dc/dce/a00740_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls">80 <table·class="memberdecls">
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84 Classes</h2></td></tr>82 Classes</h2></td></tr>
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d96/a06918.html">BALL::HBondProcessor</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d49/a07398.html">BALL::TCPIOStream</a></td></tr>
86 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Computation·of·hydrogen·bonds·from·topology·information.··<a·href="../../d1/d96/a06918.html#details">More...</a><br·/></td></tr> 
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/de9/a06922.html">BALL::HBondProcessor::HBond</a></td></tr>85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/db0/a07402.html">BALL::TCPServer</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a06926.html">BALL::HBondProcessor::Option</a></td></tr> 
91 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d9/df0/a06926.html"·title="Option·names.">Option</a>·names.··<a·href="../../d9/df0/a06926.html#details">More...</a><br·/></td></tr> 
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/db6/a06930.html">BALL::HBondProcessor::Default</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d87/a07406.html">BALL::TCPServerThread</a></td></tr>
94 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d7/db6/a06930.html"·title="Default·values·for·options.">Default</a>·values·for·options.··<a·href="../../d7/db6/a06930.html#details">More...</a><br·/></td></tr> 
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dbb/a06934.html">BALL::HBondProcessor::PredictionMethod</a></td></tr> 
97 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d7/db6/a06930.html"·title="Default·values·for·options.">Default</a>·values·for·options.··<a·href="../../d9/dbb/a06934.html#details">More...</a><br·/></td></tr> 
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
99 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d02/a06938.html">BALL::HBondProcessor::ResidueData</a></td></tr> 
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103 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
104 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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72 ··<div·class="headertitle"><div·class="title">BALL::BinaryFingerprintMethods·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::BinaryFingerprintMethods·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p>This·class·provides·efficient·similarity·calculation·functionality·for·2D·binary·fingerprints.··75 <p>This·class·provides·efficient·similarity·calculation·functionality·for·2D·binary·fingerprints.··
76 ·<a·href="../../dc/dce/a06658.html#details">More...</a></p>76 ·<a·href="../../dc/dce/a06658.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d3/d8e/a00647_source.html">BALL/STRUCTURE/binaryFingerprintMethods.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d1/da7/a01709_source.html">BALL/STRUCTURE/binaryFingerprintMethods.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>80 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d9c/a06666.html">Default</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d9c/a06666.html">Default</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da1/a06662.html">Option</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da1/a06662.html">Option</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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147 For·a·set·of·input·molecules·the·Medoid·is·calculated.·The·medoid·is·the·molecule·with·the·highest·averaged·similarity·to·all·other·molecules.·Additionally,·the·method·returns·the·averaged·pairwise·similarities·for·every·molecule·in·the·input·set.·<br··/>147 For·a·set·of·input·molecules·the·Medoid·is·calculated.·The·medoid·is·the·molecule·with·the·highest·averaged·similarity·to·all·other·molecules.·Additionally,·the·method·returns·the·averaged·pairwise·similarities·for·every·molecule·in·the·input·set.·<br··/>
148 ·<br··/>148 ·<br··/>
149 Citations:<br··/>149 Citations:<br··/>
150 Clustering·Algorithms:·F.·Murtagh,·Compstat·Lectures·vol.·4,·1985,·Physica-Verlag·Würzburg-Wien.·(Volume·titel:·Multidimensional·clustering·algorithms).·<br··/>150 Clustering·Algorithms:·F.·Murtagh,·Compstat·Lectures·vol.·4,·1985,·Physica-Verlag·Würzburg-Wien.·(Volume·titel:·Multidimensional·clustering·algorithms).·<br··/>
151 Similarity·Update:·G.·Lance·and·W.·Williams,·Comput·J.·(1967),·9,·373-380.·(doi:·10.1093/comjnl/9.4.373).<br··/>151 Similarity·Update:·G.·Lance·and·W.·Williams,·Comput·J.·(1967),·9,·373-380.·(doi:·10.1093/comjnl/9.4.373).<br··/>
152 Cutoff·Selection:·L.A.·Kelley,·S.P.·Gardner·and·M.J.·Sutcliffe,·Protein·Eng.·(1996),·9,·1063-1065.·(doi:·10.1093/protein/9.11.1063).·</p>152 Cutoff·Selection:·L.A.·Kelley,·S.P.·Gardner·and·M.J.·Sutcliffe,·Protein·Eng.·(1996),·9,·1063-1065.·(doi:·10.1093/protein/9.11.1063).·</p>
  
153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d8e/a00647_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../d3/d8e/a00647_source.html">binaryFingerprintMethods.h</a>.</p>153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/da7/a01709_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../d1/da7/a01709_source.html">binaryFingerprintMethods.h</a>.</p>
154 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>154 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
155 <a·id="aa58273788c4db3fdcea29a5c18059819"·name="aa58273788c4db3fdcea29a5c18059819"></a>155 <a·id="aa58273788c4db3fdcea29a5c18059819"·name="aa58273788c4db3fdcea29a5c18059819"></a>
156 <h2·class="memtitle"><span·class="permalink"><a·href="#aa58273788c4db3fdcea29a5c18059819">&#9670;&nbsp;</a></span>BinaryFingerprintMethods()·<span·class="overload">[1/5]</span></h2>156 <h2·class="memtitle"><span·class="permalink"><a·href="#aa58273788c4db3fdcea29a5c18059819">&#9670;&nbsp;</a></span>BinaryFingerprintMethods()·<span·class="overload">[1/5]</span></h2>
  
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../dc/d4e/a05331.html">List·of·all·members</a>··</div>71 <a·href="../../dc/d4e/a05331.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::MMFF94Torsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::MMFF94Torsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d6c/a00977_source.html">BALL/MOLMEC/MMFF94/MMFF94Torsion.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/MOLMEC/MMFF94/MMFF94Torsion.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::MMFF94Torsion:</div>77 Inheritance·diagram·for·BALL::MMFF94Torsion:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../dc/dcf/a05334.png"·usemap="#BALL::MMFF94Torsion_map"·alt=""/>80 ··<img·src="../../dc/dcf/a05334.png"·usemap="#BALL::MMFF94Torsion_map"·alt=""/>
81 ··<map·id="BALL::MMFF94Torsion_map"·name="BALL::MMFF94Torsion_map">81 ··<map·id="BALL::MMFF94Torsion_map"·name="BALL::MMFF94Torsion_map">
82 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>82 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>
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245 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>245 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
246 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>246 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
247 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>247 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
248 </table>248 </table>
249 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>249 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
250 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·bond·stretch·component·</p>250 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·bond·stretch·component·</p>
  
251 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d6c/a00977_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d5/d6c/a00977_source.html">MMFF94Torsion.h</a>.</p>251 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d88/a00128_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d1/d88/a00128_source.html">MMFF94Torsion.h</a>.</p>
252 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>252 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
253 <a·id="a2fdeb773dd5330d8dd6fdc6b88043635"·name="a2fdeb773dd5330d8dd6fdc6b88043635"></a>253 <a·id="a2fdeb773dd5330d8dd6fdc6b88043635"·name="a2fdeb773dd5330d8dd6fdc6b88043635"></a>
254 <h2·class="memtitle"><span·class="permalink"><a·href="#a2fdeb773dd5330d8dd6fdc6b88043635">&#9670;&nbsp;</a></span>MMFF94Torsion()·<span·class="overload">[1/3]</span></h2>254 <h2·class="memtitle"><span·class="permalink"><a·href="#a2fdeb773dd5330d8dd6fdc6b88043635">&#9670;&nbsp;</a></span>MMFF94Torsion()·<span·class="overload">[1/3]</span></h2>
  
255 <div·class="memitem">255 <div·class="memitem">
256 <div·class="memproto">256 <div·class="memproto">
257 ······<table·class="memname">257 ······<table·class="memname">
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443 ··</td>443 ··</td>
444 ··<td·class="mlabels-right">444 ··<td·class="mlabels-right">
445 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>445 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
446 ··</tr>446 ··</tr>
447 </table>447 </table>
448 </div><div·class="memdoc">448 </div><div·class="memdoc">
  
449 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d6c/a00977_source.html#l00106">106</a>·of·file·<a·class="el"·href="../../d5/d6c/a00977_source.html">MMFF94Torsion.h</a>.</p>449 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d88/a00128_source.html#l00106">106</a>·of·file·<a·class="el"·href="../../d1/d88/a00128_source.html">MMFF94Torsion.h</a>.</p>
  
450 </div>450 </div>
451 </div>451 </div>
452 <a·id="a28a22e254757ffa0f8554d97802bb6c0"·name="a28a22e254757ffa0f8554d97802bb6c0"></a>452 <a·id="a28a22e254757ffa0f8554d97802bb6c0"·name="a28a22e254757ffa0f8554d97802bb6c0"></a>
453 <h2·class="memtitle"><span·class="permalink"><a·href="#a28a22e254757ffa0f8554d97802bb6c0">&#9670;&nbsp;</a></span>getTorsionType()</h2>453 <h2·class="memtitle"><span·class="permalink"><a·href="#a28a22e254757ffa0f8554d97802bb6c0">&#9670;&nbsp;</a></span>getTorsionType()</h2>
  
454 <div·class="memitem">454 <div·class="memitem">
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627 ··</td>627 ··</td>
628 ··<td·class="mlabels-right">628 ··<td·class="mlabels-right">
629 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>629 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
630 ··</tr>630 ··</tr>
631 </table>631 </table>
632 </div><div·class="memdoc">632 </div><div·class="memdoc">
  
633 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d6c/a00977_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../d5/d6c/a00977_source.html">MMFF94Torsion.h</a>.</p>633 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d88/a00128_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../d1/d88/a00128_source.html">MMFF94Torsion.h</a>.</p>
  
634 </div>634 </div>
635 </div>635 </div>
636 <a·id="a34d6e89dcbc86139753f0472c764e8d4"·name="a34d6e89dcbc86139753f0472c764e8d4"></a>636 <a·id="a34d6e89dcbc86139753f0472c764e8d4"·name="a34d6e89dcbc86139753f0472c764e8d4"></a>
637 <h2·class="memtitle"><span·class="permalink"><a·href="#a34d6e89dcbc86139753f0472c764e8d4">&#9670;&nbsp;</a></span>torsions_</h2>637 <h2·class="memtitle"><span·class="permalink"><a·href="#a34d6e89dcbc86139753f0472c764e8d4">&#9670;&nbsp;</a></span>torsions_</h2>
  
638 <div·class="memitem">638 <div·class="memitem">
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651 ··</td>651 ··</td>
652 ··<td·class="mlabels-right">652 ··<td·class="mlabels-right">
653 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>653 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
654 ··</tr>654 ··</tr>
655 </table>655 </table>
656 </div><div·class="memdoc">656 </div><div·class="memdoc">
  
657 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d6c/a00977_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../d5/d6c/a00977_source.html">MMFF94Torsion.h</a>.</p>657 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d88/a00128_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../d1/d88/a00128_source.html">MMFF94Torsion.h</a>.</p>
  
658 </div>658 </div>
659 </div>659 </div>
660 </div><!--·contents·-->660 </div><!--·contents·-->
661 <!--·start·footer·part·-->661 <!--·start·footer·part·-->
662 <hr·class="footer"/><address·class="footer"><small>662 <hr·class="footer"/><address·class="footer"><small>
663 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4663 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../db/dd8/a04495.html">List·of·all·members</a>··</div>71 <a·href="../../db/dd8/a04495.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ChainIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ChainIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/dd3/a00428_source.html">BALL/KERNEL/chainIterator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d8/dc8/a00581_source.html">BALL/KERNEL/chainIterator.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::ChainIteratorTraits:</div>77 Inheritance·diagram·for·BALL::ChainIteratorTraits:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../dc/dd0/a04498.png"·usemap="#BALL::ChainIteratorTraits_map"·alt=""/>80 ··<img·src="../../dc/dd0/a04498.png"·usemap="#BALL::ChainIteratorTraits_map"·alt=""/>
81 ··<map·id="BALL::ChainIteratorTraits_map"·name="BALL::ChainIteratorTraits_map">81 ··<map·id="BALL::ChainIteratorTraits_map"·name="BALL::ChainIteratorTraits_map">
82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>
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184 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>184 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>
185 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<a·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">More...</a><br·/></td></tr>185 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<a·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">More...</a><br·/></td></tr>
186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
187 </table>187 </table>
188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
189 <div·class="textblock"><p·>Traits·class·for·the·various·ChainIterators.</p>189 <div·class="textblock"><p·>Traits·class·for·the·various·ChainIterators.</p>
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd3/a00428_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d4/dd3/a00428_source.html">chainIterator.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dc8/a00581_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d8/dc8/a00581_source.html">chainIterator.h</a>.</p>
191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
192 <a·id="a5dc88dd53de52da26898f993510b8c9b"·name="a5dc88dd53de52da26898f993510b8c9b"></a>192 <a·id="a5dc88dd53de52da26898f993510b8c9b"·name="a5dc88dd53de52da26898f993510b8c9b"></a>
193 <h2·class="memtitle"><span·class="permalink"><a·href="#a5dc88dd53de52da26898f993510b8c9b">&#9670;&nbsp;</a></span>ChainIteratorTraits()·<span·class="overload">[1/3]</span></h2>193 <h2·class="memtitle"><span·class="permalink"><a·href="#a5dc88dd53de52da26898f993510b8c9b">&#9670;&nbsp;</a></span>ChainIteratorTraits()·<span·class="overload">[1/3]</span></h2>
  
194 <div·class="memitem">194 <div·class="memitem">
195 <div·class="memproto">195 <div·class="memproto">
196 <table·class="mlabels">196 <table·class="mlabels">
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209 ··</td>209 ··</td>
210 ··<td·class="mlabels-right">210 ··<td·class="mlabels-right">
211 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>211 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
212 ··</tr>212 ··</tr>
213 </table>213 </table>
214 </div><div·class="memdoc">214 </div><div·class="memdoc">
  
215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd3/a00428_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d4/dd3/a00428_source.html">chainIterator.h</a>.</p>215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dc8/a00581_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d8/dc8/a00581_source.html">chainIterator.h</a>.</p>
  
216 </div>216 </div>
217 </div>217 </div>
218 <a·id="aca34e1343a64e3dbc691646fe24e55d7"·name="aca34e1343a64e3dbc691646fe24e55d7"></a>218 <a·id="aca34e1343a64e3dbc691646fe24e55d7"·name="aca34e1343a64e3dbc691646fe24e55d7"></a>
219 <h2·class="memtitle"><span·class="permalink"><a·href="#aca34e1343a64e3dbc691646fe24e55d7">&#9670;&nbsp;</a></span>ChainIteratorTraits()·<span·class="overload">[2/3]</span></h2>219 <h2·class="memtitle"><span·class="permalink"><a·href="#aca34e1343a64e3dbc691646fe24e55d7">&#9670;&nbsp;</a></span>ChainIteratorTraits()·<span·class="overload">[2/3]</span></h2>
  
220 <div·class="memitem">220 <div·class="memitem">
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237 ··</td>237 ··</td>
238 ··<td·class="mlabels-right">238 ··<td·class="mlabels-right">
239 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>239 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
240 ··</tr>240 ··</tr>
241 </table>241 </table>
242 </div><div·class="memdoc">242 </div><div·class="memdoc">
  
243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd3/a00428_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d4/dd3/a00428_source.html">chainIterator.h</a>.</p>243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dc8/a00581_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d8/dc8/a00581_source.html">chainIterator.h</a>.</p>
  
244 </div>244 </div>
245 </div>245 </div>
246 <a·id="a784fbee63e7fb6beb4a314965a010633"·name="a784fbee63e7fb6beb4a314965a010633"></a>246 <a·id="a784fbee63e7fb6beb4a314965a010633"·name="a784fbee63e7fb6beb4a314965a010633"></a>
247 <h2·class="memtitle"><span·class="permalink"><a·href="#a784fbee63e7fb6beb4a314965a010633">&#9670;&nbsp;</a></span>ChainIteratorTraits()·<span·class="overload">[3/3]</span></h2>247 <h2·class="memtitle"><span·class="permalink"><a·href="#a784fbee63e7fb6beb4a314965a010633">&#9670;&nbsp;</a></span>ChainIteratorTraits()·<span·class="overload">[3/3]</span></h2>
  
248 <div·class="memitem">248 <div·class="memitem">
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265 ··</td>265 ··</td>
266 ··<td·class="mlabels-right">266 ··<td·class="mlabels-right">
267 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>267 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
268 ··</tr>268 ··</tr>
269 </table>269 </table>
270 </div><div·class="memdoc">270 </div><div·class="memdoc">
  
271 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd3/a00428_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d4/dd3/a00428_source.html">chainIterator.h</a>.</p>271 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dc8/a00581_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d8/dc8/a00581_source.html">chainIterator.h</a>.</p>
  
272 </div>272 </div>
273 </div>273 </div>
274 <h2·class="groupheader">Member·Function·Documentation</h2>274 <h2·class="groupheader">Member·Function·Documentation</h2>
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71 ··<div·class="headertitle"><div·class="title">baseFunctor.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">createSpectrumProcessor.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d49/a01643_source.html">BALL/NMR/peak.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../dc/d87/a01649_source.html">BALL/NMR/peakList.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../db/d77/a00683_source.html">BALL/DATATYPE/regularData1D.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../dc/df9/a00554_source.html">BALL/KERNEL/expression.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../d1/d04/a00713_source.html">BALL/DATATYPE/stringHashSet.h</a>&gt;</code><br·/>
 81 <code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>
75 </div>82 </div>
76 <p><a·href="../../dc/dd2/a01604_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../dc/dd2/a01604_source.html">Go·to·the·source·code·of·this·file.</a></p>
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74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d9/d7d/a01880_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;BALL/VIEW/UIC/ui_downloadPDBFile.h&gt;</code><br·/> 
78 <code>#include·&lt;QtNetwork/QNetworkReply&gt;</code><br·/>75 <code>#include·&lt;QtCore/QMutex&gt;</code><br·/>
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80 <p><a·href="../../dc/dd9/a01328_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../dc/dd9/a01328_source.html">Go·to·the·source·code·of·this·file.</a></p>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#friends">Friends</a>·&#124;71 <a·href="#friends">Friends</a>·&#124;
72 <a·href="../../d1/d7b/a03639.html">List·of·all·members</a>··</div>72 <a·href="../../d1/d7b/a03639.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::PharmacophoreConstraint·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::PharmacophoreConstraint·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d5/dee/a00518_source.html">BALL/DOCKING/COMMON/constraints.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../de/d40/a01592_source.html">BALL/DOCKING/COMMON/constraints.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::PharmacophoreConstraint:</div>78 Inheritance·diagram·for·BALL::PharmacophoreConstraint:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../dc/dd9/a03642.png"·usemap="#BALL::PharmacophoreConstraint_map"·alt=""/>81 ··<img·src="../../dc/dd9/a03642.png"·usemap="#BALL::PharmacophoreConstraint_map"·alt=""/>
82 ··<map·id="BALL::PharmacophoreConstraint_map"·name="BALL::PharmacophoreConstraint_map">82 ··<map·id="BALL::PharmacophoreConstraint_map"·name="BALL::PharmacophoreConstraint_map">
83 <area·href="../../dc/d12/a03634.html"·alt="BALL::Constraint"·shape="rect"·coords="0,0,196,24"/>83 <area·href="../../dc/d12/a03634.html"·alt="BALL::Constraint"·shape="rect"·coords="0,0,196,24"/>
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147 <tr·class="separator:adc9a19236e19ed9c3c994d51f3176418·inherit·pro_attribs_a03634"><td·class="memSeparator"·colspan="2">&#160;</td></tr>147 <tr·class="separator:adc9a19236e19ed9c3c994d51f3176418·inherit·pro_attribs_a03634"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
148 </table>148 </table>
149 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>149 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
150 <div·class="textblock"><p·><a·class="el"·href="../../dc/dd9/a03642.html">PharmacophoreConstraint</a>·allow·to·define·specific·intermolecular·interactions·that·should·exist·between·receptor·and·ligand.<br··/>150 <div·class="textblock"><p·><a·class="el"·href="../../dc/dd9/a03642.html">PharmacophoreConstraint</a>·allow·to·define·specific·intermolecular·interactions·that·should·exist·between·receptor·and·ligand.<br··/>
151 If·those·interactions·do·not·exist·or·are·too·weak·(i.e.·have·a·score·that·is·not·good·enough),·a·penalty·score·is·calculated·and·used·by·<a·class="el"·href="../../d0/d64/a06166.html#a733d7ea8406e94082a708699e713eeb9">ScoringFunction::updateScore()</a>·if·this·<a·class="el"·href="../../dc/dd9/a03642.html">PharmacophoreConstraint</a>·has·been·added·to·<a·class="el"·href="../../d0/d64/a06166.html#a3d0f39c50799112015bc203a735a9f73">ScoringFunction::constraints</a>.<br··/>151 If·those·interactions·do·not·exist·or·are·too·weak·(i.e.·have·a·score·that·is·not·good·enough),·a·penalty·score·is·calculated·and·used·by·<a·class="el"·href="../../d0/d64/a06166.html#a733d7ea8406e94082a708699e713eeb9">ScoringFunction::updateScore()</a>·if·this·<a·class="el"·href="../../dc/dd9/a03642.html">PharmacophoreConstraint</a>·has·been·added·to·<a·class="el"·href="../../d0/d64/a06166.html#a3d0f39c50799112015bc203a735a9f73">ScoringFunction::constraints</a>.<br··/>
152 In·order·to·be·able·to·evaluate·the·ligand's·interactions·with·the·specified·atoms,·the·pairwise·interactions·have·to·be·stored.·Use·<a·class="el"·href="../../d0/d64/a06166.html#a72db80453ce17b92438d25b3c63bc7d3">ScoringFunction::enableStoreInteractions()</a>·to·allow·this.·</p>152 In·order·to·be·able·to·evaluate·the·ligand's·interactions·with·the·specified·atoms,·the·pairwise·interactions·have·to·be·stored.·Use·<a·class="el"·href="../../d0/d64/a06166.html#a72db80453ce17b92438d25b3c63bc7d3">ScoringFunction::enableStoreInteractions()</a>·to·allow·this.·</p>
  
153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dee/a00518_source.html#l00144">144</a>·of·file·<a·class="el"·href="../../d5/dee/a00518_source.html">constraints.h</a>.</p>153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00144">144</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">constraints.h</a>.</p>
154 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>154 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
155 <a·id="a900749fe823098b4695cfb2d75aee182"·name="a900749fe823098b4695cfb2d75aee182"></a>155 <a·id="a900749fe823098b4695cfb2d75aee182"·name="a900749fe823098b4695cfb2d75aee182"></a>
156 <h2·class="memtitle"><span·class="permalink"><a·href="#a900749fe823098b4695cfb2d75aee182">&#9670;&nbsp;</a></span>PharmacophoreConstraint()·<span·class="overload">[1/4]</span></h2>156 <h2·class="memtitle"><span·class="permalink"><a·href="#a900749fe823098b4695cfb2d75aee182">&#9670;&nbsp;</a></span>PharmacophoreConstraint()·<span·class="overload">[1/4]</span></h2>
  
157 <div·class="memitem">157 <div·class="memitem">
158 <div·class="memproto">158 <div·class="memproto">
159 ······<table·class="memname">159 ······<table·class="memname">
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471 ··</td>471 ··</td>
472 ··<td·class="mlabels-right">472 ··<td·class="mlabels-right">
473 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>473 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
474 ··</tr>474 ··</tr>
475 </table>475 </table>
476 </div><div·class="memdoc">476 </div><div·class="memdoc">
  
477 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dee/a00518_source.html#l00193">193</a>·of·file·<a·class="el"·href="../../d5/dee/a00518_source.html">constraints.h</a>.</p>477 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00193">193</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">constraints.h</a>.</p>
  
478 </div>478 </div>
479 </div>479 </div>
480 <a·id="a9d19e2645ac621faf3cf153b4580834e"·name="a9d19e2645ac621faf3cf153b4580834e"></a>480 <a·id="a9d19e2645ac621faf3cf153b4580834e"·name="a9d19e2645ac621faf3cf153b4580834e"></a>
481 <h2·class="memtitle"><span·class="permalink"><a·href="#a9d19e2645ac621faf3cf153b4580834e">&#9670;&nbsp;</a></span>BALL::VIEW::DockRLDialog</h2>481 <h2·class="memtitle"><span·class="permalink"><a·href="#a9d19e2645ac621faf3cf153b4580834e">&#9670;&nbsp;</a></span>BALL::VIEW::DockRLDialog</h2>
  
482 <div·class="memitem">482 <div·class="memitem">
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495 ··</td>495 ··</td>
496 ··<td·class="mlabels-right">496 ··<td·class="mlabels-right">
497 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>497 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
498 ··</tr>498 ··</tr>
499 </table>499 </table>
500 </div><div·class="memdoc">500 </div><div·class="memdoc">
  
501 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dee/a00518_source.html#l00194">194</a>·of·file·<a·class="el"·href="../../d5/dee/a00518_source.html">constraints.h</a>.</p>501 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00194">194</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">constraints.h</a>.</p>
  
502 </div>502 </div>
503 </div>503 </div>
504 </div><!--·contents·-->504 </div><!--·contents·-->
505 <!--·start·footer·part·-->505 <!--·start·footer·part·-->
506 <hr·class="footer"/><address·class="footer"><small>506 <hr·class="footer"/><address·class="footer"><small>
507 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4507 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;72 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
73 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;73 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
74 <a·href="../../d7/d6a/a08603.html">List·of·all·members</a>··</div>74 <a·href="../../d7/d6a/a08603.html">List·of·all·members</a>··</div>
75 ··<div·class="headertitle"><div·class="title">BALL::Mainframe·Class·Reference</div></div>75 ··<div·class="headertitle"><div·class="title">BALL::Mainframe·Class·Reference</div></div>
76 </div><!--header-->76 </div><!--header-->
77 <div·class="contents">77 <div·class="contents">
  
78 <p><code>#include·&lt;<a·class="el"·href="../../d0/dfe/a02102_source.html">/build/reproducible-path/ball-1.5.0+git20180813.37fc53c/source/APPLICATIONS/BALLVIEW/mainframe.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../d8/dd8/a02108_source.html">/build/reproducible-path/ball-1.5.0+git20180813.37fc53c/source/APPLICATIONS/BALLVIEW/mainframe.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
80 Inheritance·diagram·for·BALL::Mainframe:</div>80 Inheritance·diagram·for·BALL::Mainframe:</div>
81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../dc/dd9/a08606.png"·usemap="#BALL::Mainframe_map"·alt=""/>83 ··<img·src="../../dc/dd9/a08606.png"·usemap="#BALL::Mainframe_map"·alt=""/>
84 ··<map·id="BALL::Mainframe_map"·name="BALL::Mainframe_map">84 ··<map·id="BALL::Mainframe_map"·name="BALL::Mainframe_map">
85 <area·href="../../d2/d34/a07814.html"·alt="BALL::VIEW::MainControl"·shape="rect"·coords="197,56,384,80"/>85 <area·href="../../d2/d34/a07814.html"·alt="BALL::VIEW::MainControl"·shape="rect"·coords="197,56,384,80"/>
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572 <tr·class="memitem:ac67430d5b42093325d3f83325fe34674·inherit·pro_static_attribs_a07814"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d34/a07814.html#ac67430d5b42093325d3f83325fe34674">simulation_running_xpm_</a>·[]</td></tr>572 <tr·class="memitem:ac67430d5b42093325d3f83325fe34674·inherit·pro_static_attribs_a07814"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d34/a07814.html#ac67430d5b42093325d3f83325fe34674">simulation_running_xpm_</a>·[]</td></tr>
573 <tr·class="separator:ac67430d5b42093325d3f83325fe34674·inherit·pro_static_attribs_a07814"><td·class="memSeparator"·colspan="2">&#160;</td></tr>573 <tr·class="separator:ac67430d5b42093325d3f83325fe34674·inherit·pro_static_attribs_a07814"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
574 <tr·class="memitem:abe52025456e08517953e8aa4d9bbc67b·inherit·pro_static_attribs_a07814"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d34/a07814.html#abe52025456e08517953e8aa4d9bbc67b">simulation_stoped_xpm_</a>·[]</td></tr>574 <tr·class="memitem:abe52025456e08517953e8aa4d9bbc67b·inherit·pro_static_attribs_a07814"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d34/a07814.html#abe52025456e08517953e8aa4d9bbc67b">simulation_stoped_xpm_</a>·[]</td></tr>
575 <tr·class="separator:abe52025456e08517953e8aa4d9bbc67b·inherit·pro_static_attribs_a07814"><td·class="memSeparator"·colspan="2">&#160;</td></tr>575 <tr·class="separator:abe52025456e08517953e8aa4d9bbc67b·inherit·pro_static_attribs_a07814"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
576 </table>576 </table>
577 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>577 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
578 <div·class="textblock">578 <div·class="textblock">
579 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dfe/a02102_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d0/dfe/a02102_source.html">mainframe.h</a>.</p>579 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dd8/a02108_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d8/dd8/a02108_source.html">mainframe.h</a>.</p>
580 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>580 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
581 <a·id="a9a984cb4e7f184ee0937e2dae7eec159"·name="a9a984cb4e7f184ee0937e2dae7eec159"></a>581 <a·id="a9a984cb4e7f184ee0937e2dae7eec159"·name="a9a984cb4e7f184ee0937e2dae7eec159"></a>
582 <h2·class="memtitle"><span·class="permalink"><a·href="#a9a984cb4e7f184ee0937e2dae7eec159">&#9670;&nbsp;</a></span>Mainframe()</h2>582 <h2·class="memtitle"><span·class="permalink"><a·href="#a9a984cb4e7f184ee0937e2dae7eec159">&#9670;&nbsp;</a></span>Mainframe()</h2>
  
583 <div·class="memitem">583 <div·class="memitem">
584 <div·class="memproto">584 <div·class="memproto">
585 ······<table·class="memname">585 ······<table·class="memname">
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858 ··</td>858 ··</td>
859 ··<td·class="mlabels-right">859 ··<td·class="mlabels-right">
860 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>860 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
861 ··</tr>861 ··</tr>
862 </table>862 </table>
863 </div><div·class="memdoc">863 </div><div·class="memdoc">
  
864 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dfe/a02102_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../d0/dfe/a02102_source.html">mainframe.h</a>.</p>864 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dd8/a02108_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../d8/dd8/a02108_source.html">mainframe.h</a>.</p>
  
865 </div>865 </div>
866 </div>866 </div>
867 <a·id="afaba41f63a1e91bfc0bfab12521ce970"·name="afaba41f63a1e91bfc0bfab12521ce970"></a>867 <a·id="afaba41f63a1e91bfc0bfab12521ce970"·name="afaba41f63a1e91bfc0bfab12521ce970"></a>
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869 <div·class="memitem">869 <div·class="memitem">
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882 ··</td>882 ··</td>
883 ··<td·class="mlabels-right">883 ··<td·class="mlabels-right">
884 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>884 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
885 ··</tr>885 ··</tr>
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887 </div><div·class="memdoc">887 </div><div·class="memdoc">
  
888 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dfe/a02102_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../d0/dfe/a02102_source.html">mainframe.h</a>.</p>888 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dd8/a02108_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../d8/dd8/a02108_source.html">mainframe.h</a>.</p>
  
889 </div>889 </div>
890 </div>890 </div>
891 <a·id="aab23dba2c7184e8c073788cccafa8aaf"·name="aab23dba2c7184e8c073788cccafa8aaf"></a>891 <a·id="aab23dba2c7184e8c073788cccafa8aaf"·name="aab23dba2c7184e8c073788cccafa8aaf"></a>
892 <h2·class="memtitle"><span·class="permalink"><a·href="#aab23dba2c7184e8c073788cccafa8aaf">&#9670;&nbsp;</a></span>save_project_action_</h2>892 <h2·class="memtitle"><span·class="permalink"><a·href="#aab23dba2c7184e8c073788cccafa8aaf">&#9670;&nbsp;</a></span>save_project_action_</h2>
  
893 <div·class="memitem">893 <div·class="memitem">
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906 ··</td>906 ··</td>
907 ··<td·class="mlabels-right">907 ··<td·class="mlabels-right">
908 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>908 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
909 ··</tr>909 ··</tr>
910 </table>910 </table>
911 </div><div·class="memdoc">911 </div><div·class="memdoc">
  
912 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dfe/a02102_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../d0/dfe/a02102_source.html">mainframe.h</a>.</p>912 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dd8/a02108_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../d8/dd8/a02108_source.html">mainframe.h</a>.</p>
  
913 </div>913 </div>
914 </div>914 </div>
915 <a·id="a797839f303de913e73a88e342c1e1efb"·name="a797839f303de913e73a88e342c1e1efb"></a>915 <a·id="a797839f303de913e73a88e342c1e1efb"·name="a797839f303de913e73a88e342c1e1efb"></a>
916 <h2·class="memtitle"><span·class="permalink"><a·href="#a797839f303de913e73a88e342c1e1efb">&#9670;&nbsp;</a></span>scene_</h2>916 <h2·class="memtitle"><span·class="permalink"><a·href="#a797839f303de913e73a88e342c1e1efb">&#9670;&nbsp;</a></span>scene_</h2>
  
917 <div·class="memitem">917 <div·class="memitem">
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930 ··</td>930 ··</td>
931 ··<td·class="mlabels-right">931 ··<td·class="mlabels-right">
932 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>932 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
933 ··</tr>933 ··</tr>
934 </table>934 </table>
935 </div><div·class="memdoc">935 </div><div·class="memdoc">
  
936 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dfe/a02102_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../d0/dfe/a02102_source.html">mainframe.h</a>.</p>936 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dd8/a02108_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../d8/dd8/a02108_source.html">mainframe.h</a>.</p>
  
937 </div>937 </div>
938 </div>938 </div>
939 </div><!--·contents·-->939 </div><!--·contents·-->
940 <!--·start·footer·part·-->940 <!--·start·footer·part·-->
941 <hr·class="footer"/><address·class="footer"><small>941 <hr·class="footer"/><address·class="footer"><small>
942 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4942 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
74 <a·href="#friends">Friends</a>·&#124;74 <a·href="#friends">Friends</a>·&#124;
75 <a·href="../../df/d9c/a07643.html">List·of·all·members</a>··</div>75 <a·href="../../df/d9c/a07643.html">List·of·all·members</a>··</div>
76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MMFF94ConfigurationDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MMFF94ConfigurationDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
77 </div><!--header-->77 </div><!--header-->
78 <div·class="contents">78 <div·class="contents">
  
79 <p><code>#include·&lt;<a·class="el"·href="../../d3/da4/a01343_source.html">BALL/VIEW/DIALOGS/MMFF94ConfigurationDialog.h</a>&gt;</code></p>79 <p><code>#include·&lt;<a·class="el"·href="../../d2/d4c/a01307_source.html">BALL/VIEW/DIALOGS/MMFF94ConfigurationDialog.h</a>&gt;</code></p>
80 <div·class="dynheader">80 <div·class="dynheader">
81 Inheritance·diagram·for·BALL::VIEW::MMFF94ConfigurationDialog:</div>81 Inheritance·diagram·for·BALL::VIEW::MMFF94ConfigurationDialog:</div>
82 <div·class="dyncontent">82 <div·class="dyncontent">
83 ·<div·class="center">83 ·<div·class="center">
84 ··<img·src="../../dc/ddb/a07646.png"·usemap="#BALL::VIEW::MMFF94ConfigurationDialog_map"·alt=""/>84 ··<img·src="../../dc/ddb/a07646.png"·usemap="#BALL::VIEW::MMFF94ConfigurationDialog_map"·alt=""/>
85 ··<map·id="BALL::VIEW::MMFF94ConfigurationDialog_map"·name="BALL::VIEW::MMFF94ConfigurationDialog_map">85 ··<map·id="BALL::VIEW::MMFF94ConfigurationDialog_map"·name="BALL::VIEW::MMFF94ConfigurationDialog_map">
86 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,250,24"/>86 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,250,24"/>
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212 <tr·class="separator:afcd01733c038e845ad6fb5e284e89238·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>212 <tr·class="separator:afcd01733c038e845ad6fb5e284e89238·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
213 <tr·class="memitem:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d3d/a07926.html#a257b5f0e49b1f24294c315d4d7363693">StackPages</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ab7942bdf4c88f10d41eec3aa452bbed5">stack_pages_</a></td></tr>213 <tr·class="memitem:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d3d/a07926.html#a257b5f0e49b1f24294c315d4d7363693">StackPages</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ab7942bdf4c88f10d41eec3aa452bbed5">stack_pages_</a></td></tr>
214 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>214 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
215 </table>215 </table>
216 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>216 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
217 <div·class="textblock"><p·>Dialog·for·changing·the·options·of·the·<a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·forcefield·</p>217 <div·class="textblock"><p·>Dialog·for·changing·the·options·of·the·<a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·forcefield·</p>
  
218 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da4/a01343_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d3/da4/a01343_source.html">MMFF94ConfigurationDialog.h</a>.</p>218 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d4c/a01307_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d2/d4c/a01307_source.html">MMFF94ConfigurationDialog.h</a>.</p>
219 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>219 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
220 <a·id="abafd3481e0ef6d75081103733e9aaf2b"·name="abafd3481e0ef6d75081103733e9aaf2b"></a>220 <a·id="abafd3481e0ef6d75081103733e9aaf2b"·name="abafd3481e0ef6d75081103733e9aaf2b"></a>
221 <h2·class="memtitle"><span·class="permalink"><a·href="#abafd3481e0ef6d75081103733e9aaf2b">&#9670;&nbsp;</a></span>MMFF94ConfigurationDialog()</h2>221 <h2·class="memtitle"><span·class="permalink"><a·href="#abafd3481e0ef6d75081103733e9aaf2b">&#9670;&nbsp;</a></span>MMFF94ConfigurationDialog()</h2>
  
222 <div·class="memitem">222 <div·class="memitem">
223 <div·class="memproto">223 <div·class="memproto">
224 ······<table·class="memname">224 ······<table·class="memname">
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472 ··</td>472 ··</td>
473 ··<td·class="mlabels-right">473 ··<td·class="mlabels-right">
474 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>474 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
475 ··</tr>475 ··</tr>
476 </table>476 </table>
477 </div><div·class="memdoc">477 </div><div·class="memdoc">
  
478 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da4/a01343_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d3/da4/a01343_source.html">MMFF94ConfigurationDialog.h</a>.</p>478 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d4c/a01307_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d2/d4c/a01307_source.html">MMFF94ConfigurationDialog.h</a>.</p>
  
479 </div>479 </div>
480 </div>480 </div>
481 </div><!--·contents·-->481 </div><!--·contents·-->
482 <!--·start·footer·part·-->482 <!--·start·footer·part·-->
483 <hr·class="footer"/><address·class="footer"><small>483 <hr·class="footer"/><address·class="footer"><small>
484 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4484 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../d7/df1/a04143.html">List·of·all·members</a>··</div>72 <a·href="../../d7/df1/a04143.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCON063·Struct·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCON063·Struct·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a59af5cf20fc5ce67d889df8dcf92cc5f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/ddd/a04146.html#a59af5cf20fc5ce67d889df8dcf92cc5f">clear</a>·()</td></tr>80 <tr·class="memitem:a59af5cf20fc5ce67d889df8dcf92cc5f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/ddd/a04146.html#a59af5cf20fc5ce67d889df8dcf92cc5f">clear</a>·()</td></tr>
81 <tr·class="separator:a59af5cf20fc5ce67d889df8dcf92cc5f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a59af5cf20fc5ce67d889df8dcf92cc5f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
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90 <tr·class="memitem:a786cf3688e25e4a2dd735c887bf59aef"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/ddd/a04146.html#a786cf3688e25e4a2dd735c887bf59aef">atom_serial_number</a></td></tr>90 <tr·class="memitem:a786cf3688e25e4a2dd735c887bf59aef"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/ddd/a04146.html#a786cf3688e25e4a2dd735c887bf59aef">atom_serial_number</a></td></tr>
91 <tr·class="separator:a786cf3688e25e4a2dd735c887bf59aef"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a786cf3688e25e4a2dd735c887bf59aef"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:ac4bf729ca61629737d1b40b86f56400f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/ddd/a04146.html#ac4bf729ca61629737d1b40b86f56400f">bond_atom</a>·[2]</td></tr>92 <tr·class="memitem:ac4bf729ca61629737d1b40b86f56400f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/ddd/a04146.html#ac4bf729ca61629737d1b40b86f56400f">bond_atom</a>·[2]</td></tr>
93 <tr·class="separator:ac4bf729ca61629737d1b40b86f56400f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:ac4bf729ca61629737d1b40b86f56400f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>94 </table>
95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock">96 <div·class="textblock">
97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00529">529</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00529">529</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
98 </div><h2·class="groupheader">Member·Function·Documentation</h2>98 </div><h2·class="groupheader">Member·Function·Documentation</h2>
99 <a·id="a59af5cf20fc5ce67d889df8dcf92cc5f"·name="a59af5cf20fc5ce67d889df8dcf92cc5f"></a>99 <a·id="a59af5cf20fc5ce67d889df8dcf92cc5f"·name="a59af5cf20fc5ce67d889df8dcf92cc5f"></a>
100 <h2·class="memtitle"><span·class="permalink"><a·href="#a59af5cf20fc5ce67d889df8dcf92cc5f">&#9670;&nbsp;</a></span>clear()</h2>100 <h2·class="memtitle"><span·class="permalink"><a·href="#a59af5cf20fc5ce67d889df8dcf92cc5f">&#9670;&nbsp;</a></span>clear()</h2>
  
101 <div·class="memitem">101 <div·class="memitem">
102 <div·class="memproto">102 <div·class="memproto">
103 <table·class="mlabels">103 <table·class="mlabels">
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115 ··</td>115 ··</td>
116 ··<td·class="mlabels-right">116 ··<td·class="mlabels-right">
117 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>117 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
118 ··</tr>118 ··</tr>
119 </table>119 </table>
120 </div><div·class="memdoc">120 </div><div·class="memdoc">
  
121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00536">536</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00536">536</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
122 </div>122 </div>
123 </div>123 </div>
124 <h2·class="groupheader">Member·Data·Documentation</h2>124 <h2·class="groupheader">Member·Data·Documentation</h2>
125 <a·id="a786cf3688e25e4a2dd735c887bf59aef"·name="a786cf3688e25e4a2dd735c887bf59aef"></a>125 <a·id="a786cf3688e25e4a2dd735c887bf59aef"·name="a786cf3688e25e4a2dd735c887bf59aef"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a786cf3688e25e4a2dd735c887bf59aef">&#9670;&nbsp;</a></span>atom_serial_number</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a786cf3688e25e4a2dd735c887bf59aef">&#9670;&nbsp;</a></span>atom_serial_number</h2>
  
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132 ······<table·class="memname">132 ······<table·class="memname">
133 ········<tr>133 ········<tr>
134 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON063::atom_serial_number</td>134 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON063::atom_serial_number</td>
135 ········</tr>135 ········</tr>
136 ······</table>136 ······</table>
137 </div><div·class="memdoc">137 </div><div·class="memdoc">
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00533">533</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00533">533</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
139 </div>139 </div>
140 </div>140 </div>
141 <a·id="ac4bf729ca61629737d1b40b86f56400f"·name="ac4bf729ca61629737d1b40b86f56400f"></a>141 <a·id="ac4bf729ca61629737d1b40b86f56400f"·name="ac4bf729ca61629737d1b40b86f56400f"></a>
142 <h2·class="memtitle"><span·class="permalink"><a·href="#ac4bf729ca61629737d1b40b86f56400f">&#9670;&nbsp;</a></span>bond_atom</h2>142 <h2·class="memtitle"><span·class="permalink"><a·href="#ac4bf729ca61629737d1b40b86f56400f">&#9670;&nbsp;</a></span>bond_atom</h2>
  
143 <div·class="memitem">143 <div·class="memitem">
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148 ······<table·class="memname">148 ······<table·class="memname">
149 ········<tr>149 ········<tr>
150 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON063::bond_atom[2]</td>150 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON063::bond_atom[2]</td>
151 ········</tr>151 ········</tr>
152 ······</table>152 ······</table>
153 </div><div·class="memdoc">153 </div><div·class="memdoc">
  
154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00534">534</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00534">534</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
155 </div>155 </div>
156 </div>156 </div>
157 <a·id="a053e5eb203735de2275fefcd1f9a3c37"·name="a053e5eb203735de2275fefcd1f9a3c37"></a>157 <a·id="a053e5eb203735de2275fefcd1f9a3c37"·name="a053e5eb203735de2275fefcd1f9a3c37"></a>
158 <h2·class="memtitle"><span·class="permalink"><a·href="#a053e5eb203735de2275fefcd1f9a3c37">&#9670;&nbsp;</a></span>record_name</h2>158 <h2·class="memtitle"><span·class="permalink"><a·href="#a053e5eb203735de2275fefcd1f9a3c37">&#9670;&nbsp;</a></span>record_name</h2>
  
159 <div·class="memitem">159 <div·class="memitem">
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164 ······<table·class="memname">164 ······<table·class="memname">
165 ········<tr>165 ········<tr>
166 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordCON063::record_name</td>166 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordCON063::record_name</td>
167 ········</tr>167 ········</tr>
168 ······</table>168 ······</table>
169 </div><div·class="memdoc">169 </div><div·class="memdoc">
  
170 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00532">532</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>170 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00532">532</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
171 </div>171 </div>
172 </div>172 </div>
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174 <h2·class="memtitle"><span·class="permalink"><a·href="#ab7ebd6284389067f8d7d7dcecf1677d9">&#9670;&nbsp;</a></span>record_type</h2>174 <h2·class="memtitle"><span·class="permalink"><a·href="#ab7ebd6284389067f8d7d7dcecf1677d9">&#9670;&nbsp;</a></span>record_type</h2>
  
175 <div·class="memitem">175 <div·class="memitem">
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180 ······<table·class="memname">180 ······<table·class="memname">
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72 ··<div·class="headertitle"><div·class="title">BALL::ConjugateGradientMinimizer::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ConjugateGradientMinimizer::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d49/a00863_source.html">BALL/MOLMEC/MINIMIZATION/conjugateGradient.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/df3/a00185_source.html">BALL/MOLMEC/MINIMIZATION/conjugateGradient.h</a>&gt;</code></p>
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82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock"><p·><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·names·</p>83 <div·class="textblock"><p·><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·names·</p>
  
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73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dc/d87/a01649_source.html">BALL/CONCEPT/preferencesObject.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../df/d4c/a00851_source.html">BALL/CONCEPT/preferencesObject.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::PreferencesObject:</div>77 Inheritance·diagram·for·BALL::PreferencesObject:</div>
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100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
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102 <p·>Note·that·a·more·sophisticated·and·simpler·to·use·scheme·for·storing·state·that·is·accessible·through·GUI·elements,·e.g.,·LineEdits,·already·exists·in·libVIEW.·Use·this·class·if·you·want/need·to·be·independent·of·the·view·functionality,·or·if·the·elements·supported·by·<a·class="el"·href="../../dc/d3d/a07926.html">VIEW::PreferencesEntry</a>·do·not·suffice.</p>102 <p·>Note·that·a·more·sophisticated·and·simpler·to·use·scheme·for·storing·state·that·is·accessible·through·GUI·elements,·e.g.,·LineEdits,·already·exists·in·libVIEW.·Use·this·class·if·you·want/need·to·be·independent·of·the·view·functionality,·or·if·the·elements·supported·by·<a·class="el"·href="../../dc/d3d/a07926.html">VIEW::PreferencesEntry</a>·do·not·suffice.</p>
103 <p·>Make·sure·to·name·all·derived·objects,·by·calling·setObjectName()·Otherwise·(re-)storing·the·values·wont·work.·</p>103 <p·>Make·sure·to·name·all·derived·objects,·by·calling·setObjectName()·Otherwise·(re-)storing·the·values·wont·work.·</p>
  
104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a01649_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../dc/d87/a01649_source.html">preferencesObject.h</a>.</p>104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d4c/a00851_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../df/d4c/a00851_source.html">preferencesObject.h</a>.</p>
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107 <h2·class="memtitle"><span·class="permalink"><a·href="#a302af63dc3bca94d25354bddf0172a8b">&#9670;&nbsp;</a></span>PreferencesObject()</h2>107 <h2·class="memtitle"><span·class="permalink"><a·href="#a302af63dc3bca94d25354bddf0172a8b">&#9670;&nbsp;</a></span>PreferencesObject()</h2>
  
108 <div·class="memitem">108 <div·class="memitem">
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123 ··</td>123 ··</td>
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129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a01649_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../dc/d87/a01649_source.html">preferencesObject.h</a>.</p>129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d4c/a00851_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../df/d4c/a00851_source.html">preferencesObject.h</a>.</p>
  
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133 <h2·class="memtitle"><span·class="permalink"><a·href="#a9391001c74bf7a37319c24e094614cfa">&#9670;&nbsp;</a></span>~PreferencesObject()</h2>133 <h2·class="memtitle"><span·class="permalink"><a·href="#a9391001c74bf7a37319c24e094614cfa">&#9670;&nbsp;</a></span>~PreferencesObject()</h2>
  
134 <div·class="memitem">134 <div·class="memitem">
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150 ··</td>150 ··</td>
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152 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>152 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
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156 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a01649_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../dc/d87/a01649_source.html">preferencesObject.h</a>.</p>156 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d4c/a00851_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../df/d4c/a00851_source.html">preferencesObject.h</a>.</p>
  
157 </div>157 </div>
158 </div>158 </div>
159 <h2·class="groupheader">Member·Function·Documentation</h2>159 <h2·class="groupheader">Member·Function·Documentation</h2>
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161 <h2·class="memtitle"><span·class="permalink"><a·href="#a62197f2dde4ee3f4aa20280e47b72278">&#9670;&nbsp;</a></span>getValue()</h2>161 <h2·class="memtitle"><span·class="permalink"><a·href="#a62197f2dde4ee3f4aa20280e47b72278">&#9670;&nbsp;</a></span>getValue()</h2>
  
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63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">radialDistributionFunction.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">list.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d31/a01811_source.html">BALL/MATHS/piecewisePolynomial.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../df/d0e/a00800_source.html">BALL/CONCEPT/visitor.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;list&gt;</code><br·/>
75 </div>78 </div>
76 <p><a·href="../../dc/de4/a00677_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../dc/de4/a00677_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">80 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>82 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a07026.html">BALL::RadialDistributionFunction</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d76/a03554.html">BALL::List&lt;·Value·&gt;</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">85 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
84 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d0/d9d/a05123.html">List·of·all·members</a>··</div>71 <a·href="../../d0/d9d/a05123.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::StretchComponent·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::StretchComponent·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../da/dd6/a00896_source.html">BALL/MOLMEC/COMMON/stretchComponent.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/MOLMEC/COMMON/stretchComponent.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::StretchComponent:</div>77 Inheritance·diagram·for·BALL::StretchComponent:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../dc/de6/a05126.png"·usemap="#BALL::StretchComponent_map"·alt=""/>80 ··<img·src="../../dc/de6/a05126.png"·usemap="#BALL::StretchComponent_map"·alt=""/>
81 ··<map·id="BALL::StretchComponent_map"·name="BALL::StretchComponent_map">81 ··<map·id="BALL::StretchComponent_map"·name="BALL::StretchComponent_map">
82 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="92,56,266,80"/>82 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="92,56,266,80"/>
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225 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>225 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
226 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>226 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
227 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>227 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
228 </table>228 </table>
229 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>229 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
230 <div·class="textblock"><p·>A·<a·class="el"·href="../../d9/d65/a05074.html">ForceField</a>·component·implementing·the·harmonic·potential·used·by·Amber·and·CHARMM·</p>230 <div·class="textblock"><p·>A·<a·class="el"·href="../../d9/d65/a05074.html">ForceField</a>·component·implementing·the·harmonic·potential·used·by·Amber·and·CHARMM·</p>
  
231 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd6/a00896_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../da/dd6/a00896_source.html">stretchComponent.h</a>.</p>231 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d2a/a00086_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../da/d2a/a00086_source.html">stretchComponent.h</a>.</p>
232 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>232 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
233 <a·id="a6e6c6ec3e0b0c1e7f9dc958cbc25a7bb"·name="a6e6c6ec3e0b0c1e7f9dc958cbc25a7bb"></a>233 <a·id="a6e6c6ec3e0b0c1e7f9dc958cbc25a7bb"·name="a6e6c6ec3e0b0c1e7f9dc958cbc25a7bb"></a>
234 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e6c6ec3e0b0c1e7f9dc958cbc25a7bb">&#9670;&nbsp;</a></span>StretchComponent()·<span·class="overload">[1/2]</span></h2>234 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e6c6ec3e0b0c1e7f9dc958cbc25a7bb">&#9670;&nbsp;</a></span>StretchComponent()·<span·class="overload">[1/2]</span></h2>
  
235 <div·class="memitem">235 <div·class="memitem">
236 <div·class="memproto">236 <div·class="memproto">
237 ······<table·class="memname">237 ······<table·class="memname">
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372 ··</td>372 ··</td>
373 ··<td·class="mlabels-right">373 ··<td·class="mlabels-right">
374 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>374 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
375 ··</tr>375 ··</tr>
376 </table>376 </table>
377 </div><div·class="memdoc">377 </div><div·class="memdoc">
  
378 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd6/a00896_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../da/dd6/a00896_source.html">stretchComponent.h</a>.</p>378 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d2a/a00086_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../da/d2a/a00086_source.html">stretchComponent.h</a>.</p>
  
379 </div>379 </div>
380 </div>380 </div>
381 <a·id="a3cfa4589b44799b1eda4c97e5eeefbba"·name="a3cfa4589b44799b1eda4c97e5eeefbba"></a>381 <a·id="a3cfa4589b44799b1eda4c97e5eeefbba"·name="a3cfa4589b44799b1eda4c97e5eeefbba"></a>
382 <h2·class="memtitle"><span·class="permalink"><a·href="#a3cfa4589b44799b1eda4c97e5eeefbba">&#9670;&nbsp;</a></span>stretch_parameters_</h2>382 <h2·class="memtitle"><span·class="permalink"><a·href="#a3cfa4589b44799b1eda4c97e5eeefbba">&#9670;&nbsp;</a></span>stretch_parameters_</h2>
  
383 <div·class="memitem">383 <div·class="memitem">
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396 ··</td>396 ··</td>
397 ··<td·class="mlabels-right">397 ··<td·class="mlabels-right">
398 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>398 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
399 ··</tr>399 ··</tr>
400 </table>400 </table>
401 </div><div·class="memdoc">401 </div><div·class="memdoc">
  
402 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd6/a00896_source.html#l00079">79</a>·of·file·<a·class="el"·href="../../da/dd6/a00896_source.html">stretchComponent.h</a>.</p>402 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d2a/a00086_source.html#l00079">79</a>·of·file·<a·class="el"·href="../../da/d2a/a00086_source.html">stretchComponent.h</a>.</p>
  
403 </div>403 </div>
404 </div>404 </div>
405 </div><!--·contents·-->405 </div><!--·contents·-->
406 <!--·start·footer·part·-->406 <!--·start·footer·part·-->
407 <hr·class="footer"/><address·class="footer"><small>407 <hr·class="footer"/><address·class="footer"><small>
408 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4408 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../de/d9c/a04551.html">List·of·all·members</a>··</div>71 <a·href="../../de/d9c/a04551.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::NucleicAcidIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::NucleicAcidIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dd/df5/a00386_source.html">BALL/KERNEL/nucleicAcidIterator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d60/a00491_source.html">BALL/KERNEL/nucleicAcidIterator.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::NucleicAcidIteratorTraits:</div>77 Inheritance·diagram·for·BALL::NucleicAcidIteratorTraits:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../dc/ded/a04554.png"·usemap="#BALL::NucleicAcidIteratorTraits_map"·alt=""/>80 ··<img·src="../../dc/ded/a04554.png"·usemap="#BALL::NucleicAcidIteratorTraits_map"·alt=""/>
81 ··<map·id="BALL::NucleicAcidIteratorTraits_map"·name="BALL::NucleicAcidIteratorTraits_map">81 ··<map·id="BALL::NucleicAcidIteratorTraits_map"·name="BALL::NucleicAcidIteratorTraits_map">
82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,189,24"/>82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,189,24"/>
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184 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>184 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>
185 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<a·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">More...</a><br·/></td></tr>185 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<a·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">More...</a><br·/></td></tr>
186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
187 </table>187 </table>
188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
189 <div·class="textblock"><p·><a·class="el"·href="../../dc/ded/a04554.html">NucleicAcidIteratorTraits</a>·</p>189 <div·class="textblock"><p·><a·class="el"·href="../../dc/ded/a04554.html">NucleicAcidIteratorTraits</a>·</p>
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df5/a00386_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../dd/df5/a00386_source.html">nucleicAcidIterator.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d60/a00491_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d6/d60/a00491_source.html">nucleicAcidIterator.h</a>.</p>
191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
192 <a·id="a6997447856844e5b433a960664875d65"·name="a6997447856844e5b433a960664875d65"></a>192 <a·id="a6997447856844e5b433a960664875d65"·name="a6997447856844e5b433a960664875d65"></a>
193 <h2·class="memtitle"><span·class="permalink"><a·href="#a6997447856844e5b433a960664875d65">&#9670;&nbsp;</a></span>NucleicAcidIteratorTraits()·<span·class="overload">[1/3]</span></h2>193 <h2·class="memtitle"><span·class="permalink"><a·href="#a6997447856844e5b433a960664875d65">&#9670;&nbsp;</a></span>NucleicAcidIteratorTraits()·<span·class="overload">[1/3]</span></h2>
  
194 <div·class="memitem">194 <div·class="memitem">
195 <div·class="memproto">195 <div·class="memproto">
196 <table·class="mlabels">196 <table·class="mlabels">
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209 ··</td>209 ··</td>
210 ··<td·class="mlabels-right">210 ··<td·class="mlabels-right">
211 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>211 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
212 ··</tr>212 ··</tr>
213 </table>213 </table>
214 </div><div·class="memdoc">214 </div><div·class="memdoc">
  
215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df5/a00386_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../dd/df5/a00386_source.html">nucleicAcidIterator.h</a>.</p>215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d60/a00491_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d6/d60/a00491_source.html">nucleicAcidIterator.h</a>.</p>
  
216 </div>216 </div>
217 </div>217 </div>
218 <a·id="ad4e2ae978faa3c52cc111b290f22208d"·name="ad4e2ae978faa3c52cc111b290f22208d"></a>218 <a·id="ad4e2ae978faa3c52cc111b290f22208d"·name="ad4e2ae978faa3c52cc111b290f22208d"></a>
219 <h2·class="memtitle"><span·class="permalink"><a·href="#ad4e2ae978faa3c52cc111b290f22208d">&#9670;&nbsp;</a></span>NucleicAcidIteratorTraits()·<span·class="overload">[2/3]</span></h2>219 <h2·class="memtitle"><span·class="permalink"><a·href="#ad4e2ae978faa3c52cc111b290f22208d">&#9670;&nbsp;</a></span>NucleicAcidIteratorTraits()·<span·class="overload">[2/3]</span></h2>
  
220 <div·class="memitem">220 <div·class="memitem">
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237 ··</td>237 ··</td>
238 ··<td·class="mlabels-right">238 ··<td·class="mlabels-right">
239 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>239 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
240 ··</tr>240 ··</tr>
241 </table>241 </table>
242 </div><div·class="memdoc">242 </div><div·class="memdoc">
  
243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df5/a00386_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../dd/df5/a00386_source.html">nucleicAcidIterator.h</a>.</p>243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d60/a00491_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d6/d60/a00491_source.html">nucleicAcidIterator.h</a>.</p>
  
244 </div>244 </div>
245 </div>245 </div>
246 <a·id="a52574444890eeb1ec474f1c70e13d8ad"·name="a52574444890eeb1ec474f1c70e13d8ad"></a>246 <a·id="a52574444890eeb1ec474f1c70e13d8ad"·name="a52574444890eeb1ec474f1c70e13d8ad"></a>
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282 </div>282 </div>
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314 <h2·class="memtitle"><span·class="permalink"><a·href="#a4ce339ca6af13a572f3d259686361189">&#9670;&nbsp;</a></span>resetPredicate()</h2>314 <h2·class="memtitle"><span·class="permalink"><a·href="#a4ce339ca6af13a572f3d259686361189">&#9670;&nbsp;</a></span>resetPredicate()</h2>
  
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71 ··<div·class="headertitle"><div·class="title">SDFile.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">charmmBend.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
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76 <p><a·href="../../dc/dee/a00053_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../dc/dee/a00053_source.html">Go·to·the·source·code·of·this·file.</a></p>
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 94 <tr·class="separator:a4275754c252b216c209a5f5954771248"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 96 <h2·class="groupheader">Macro·Definition·Documentation</h2>
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 98 <h2·class="memtitle"><span·class="permalink"><a·href="#a4275754c252b216c209a5f5954771248">&#9670;&nbsp;</a></span>CHARMM_BENDS_ENABLED</h2>
  
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 100 <div·class="memproto">
 101 ······<table·class="memname">
 102 ········<tr>
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 106 </div><div·class="memdoc">
  
 107 <p>flag·to·enable·BENDS·</p>
  
 108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a00053_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../dc/dee/a00053_source.html">charmmBend.h</a>.</p>
  
 109 </div>
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71 ··<div·class="headertitle"><div·class="title">raytracingRenderer.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">mainControlPreferences.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
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76 <code>#include·&lt;<a·class="el"·href="../../d6/df2/a01175_source.html">BALL/VIEW/RENDERING/RENDERERS/bufferedRenderer.h</a>&gt;</code><br·/>77 <code>#include·&lt;BALL/VIEW/UIC/ui_mainControlPreferences.h&gt;</code><br·/>
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79 <p><a·href="../../dc/dee/a01166_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../dc/dee/a01166_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">82 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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72 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidOption·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidOption·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·an·invalid·option·is·given.··75 <p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·an·invalid·option·is·given.··
76 ·<a·href="../../dc/df0/a03146.html#details">More...</a></p>76 ·<a·href="../../dc/df0/a03146.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::Exception::InvalidOption:</div>79 Inheritance·diagram·for·BALL::Exception::InvalidOption:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../dc/df0/a03146.png"·usemap="#BALL::Exception::InvalidOption_map"·alt=""/>82 ··<img·src="../../dc/df0/a03146.png"·usemap="#BALL::Exception::InvalidOption_map"·alt=""/>
83 ··<map·id="BALL::Exception::InvalidOption_map"·name="BALL::Exception::InvalidOption_map">83 ··<map·id="BALL::Exception::InvalidOption_map"·name="BALL::Exception::InvalidOption_map">
84 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>84 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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134 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>134 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
135 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>135 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
136 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>136 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
137 </table>137 </table>
138 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>138 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
139 <div·class="textblock"><p·><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·an·invalid·option·is·given.·</p>139 <div·class="textblock"><p·><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·an·invalid·option·is·given.·</p>
  
140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00418">418</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00418">418</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
141 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>141 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
142 <a·id="a38e516fbe53a43ba68b4788ab3b86877"·name="a38e516fbe53a43ba68b4788ab3b86877"></a>142 <a·id="a38e516fbe53a43ba68b4788ab3b86877"·name="a38e516fbe53a43ba68b4788ab3b86877"></a>
143 <h2·class="memtitle"><span·class="permalink"><a·href="#a38e516fbe53a43ba68b4788ab3b86877">&#9670;&nbsp;</a></span>InvalidOption()</h2>143 <h2·class="memtitle"><span·class="permalink"><a·href="#a38e516fbe53a43ba68b4788ab3b86877">&#9670;&nbsp;</a></span>InvalidOption()</h2>
  
144 <div·class="memitem">144 <div·class="memitem">
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8 <title>BALL:·RDFParameter.h·File·Reference</title>8 <title>BALL:·crystalGenerator.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_52a4bffbb942fe992d286b640b8d4d08.html">XRAY</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">RDFParameter.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">crystalGenerator.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../da/d46/a00665_source.html">BALL/XRAY/crystalInfo.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d5/dd6/a01820_source.html">BALL/STRUCTURE/geometricTransformations.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../dc/de4/a00677_source.html">BALL/STRUCTURE/radialDistributionFunction.h</a>&gt;</code><br·/>79 <code>#include·&lt;<a·class="el"·href="../../dd/d20/a01772_source.html">BALL/STRUCTURE/geometricProperties.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d3/d00/a00113_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>80 <code>#include·&lt;<a·class="el"·href="../../dc/d9a/a00218_source.html">BALL/MATHS/box3.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../dd/d7e/a00809_source.html">BALL/MOLMEC/PARAMETER/forceFieldParameters.h</a>&gt;</code><br·/> 
78 </div>81 </div>
79 <p><a·href="../../dc/df1/a00662_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../dc/df1/a00662_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">83 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>85 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d75/a07034.html">BALL::RDFParameter</a></td></tr>86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a08574.html">BALL::CrystalGenerator</a></td></tr>
 87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d54/a08578.html">BALL::CrystalGenerator::Option</a></td></tr>
 89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d14/a08582.html">BALL::CrystalGenerator::Default</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table><table·class="memberdecls">92 </table><table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
87 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
73 <a·href="../../d4/db3/a06755.html">List·of·all·members</a>··</div>73 <a·href="../../d4/db3/a06755.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::DPTable_·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::DPTable_·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d4/d2a/a00632_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8e/a01694_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
80 Public·Types</h2></td></tr>80 Public·Types</h2></td></tr>
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82 <tr·class="separator:a3eaab27c6265a81e0124e46000e10c9b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a3eaab27c6265a81e0124e46000e10c9b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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84 <tr·class="separator:af7c226e09257f9b89092180cf7f3ff89"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:af7c226e09257f9b89092180cf7f3ff89"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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114 <tr·class="memitem:ae8504968c20feec685828deca73895e3"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d4/d24/a06742.html#a7b4afee43d540dbeddbfd8dba0f94f52">DPMap_</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/df1/a06758.html#ae8504968c20feec685828deca73895e3">table</a></td></tr>114 <tr·class="memitem:ae8504968c20feec685828deca73895e3"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d4/d24/a06742.html#a7b4afee43d540dbeddbfd8dba0f94f52">DPMap_</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/df1/a06758.html#ae8504968c20feec685828deca73895e3">table</a></td></tr>
115 <tr·class="separator:ae8504968c20feec685828deca73895e3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>115 <tr·class="separator:ae8504968c20feec685828deca73895e3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
116 </table>116 </table>
117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
118 <div·class="textblock"><p·>The·dynamic·programming·table.·Each·nice·tree·decomposition·bag·has·it's·own·dynamic·programming·table.·They·are·computed·either·from·leaf-nodes,·by·forgetting·or·introducing·entries·from·ancestor-tables·in·forget/introduce·nodes·or·by·merging·two·tables·into·one·in·join-nodes.·The·rows·in·this·table·are·different·possible·bond·assignments·for·the·molecule·graph.·It's·columns·are·the·consumed·valences·of·the·bag's·atoms·and·bond·values·of·the·bag's·bonds.·</p>118 <div·class="textblock"><p·>The·dynamic·programming·table.·Each·nice·tree·decomposition·bag·has·it's·own·dynamic·programming·table.·They·are·computed·either·from·leaf-nodes,·by·forgetting·or·introducing·entries·from·ancestor-tables·in·forget/introduce·nodes·or·by·merging·two·tables·into·one·in·join-nodes.·The·rows·in·this·table·are·different·possible·bond·assignments·for·the·molecule·graph.·It's·columns·are·the·consumed·valences·of·the·bag's·atoms·and·bond·values·of·the·bag's·bonds.·</p>
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00350">350</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00350">350</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
120 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>120 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
121 <a·id="af7c226e09257f9b89092180cf7f3ff89"·name="af7c226e09257f9b89092180cf7f3ff89"></a>121 <a·id="af7c226e09257f9b89092180cf7f3ff89"·name="af7c226e09257f9b89092180cf7f3ff89"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#af7c226e09257f9b89092180cf7f3ff89">&#9670;&nbsp;</a></span>const_iterator</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#af7c226e09257f9b89092180cf7f3ff89">&#9670;&nbsp;</a></span>const_iterator</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
124 <div·class="memproto">124 <div·class="memproto">
125 ······<table·class="memname">125 ······<table·class="memname">
126 ········<tr>126 ········<tr>
127 ··········<td·class="memname">typedef·DPMap_::const_iterator·<a·class="el"·href="../../dc/df1/a06758.html#af7c226e09257f9b89092180cf7f3ff89">BALL::FPTBondOrderStrategy::DPTable_::const_iterator</a></td>127 ··········<td·class="memname">typedef·DPMap_::const_iterator·<a·class="el"·href="../../dc/df1/a06758.html#af7c226e09257f9b89092180cf7f3ff89">BALL::FPTBondOrderStrategy::DPTable_::const_iterator</a></td>
128 ········</tr>128 ········</tr>
129 ······</table>129 ······</table>
130 </div><div·class="memdoc">130 </div><div·class="memdoc">
131 <p·>constant·iterator·above·the·table·entries·</p>131 <p·>constant·iterator·above·the·table·entries·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00378">378</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00378">378</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
133 </div>133 </div>
134 </div>134 </div>
135 <a·id="a3eaab27c6265a81e0124e46000e10c9b"·name="a3eaab27c6265a81e0124e46000e10c9b"></a>135 <a·id="a3eaab27c6265a81e0124e46000e10c9b"·name="a3eaab27c6265a81e0124e46000e10c9b"></a>
136 <h2·class="memtitle"><span·class="permalink"><a·href="#a3eaab27c6265a81e0124e46000e10c9b">&#9670;&nbsp;</a></span>iterator</h2>136 <h2·class="memtitle"><span·class="permalink"><a·href="#a3eaab27c6265a81e0124e46000e10c9b">&#9670;&nbsp;</a></span>iterator</h2>
  
137 <div·class="memitem">137 <div·class="memitem">
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145 ········<tr>145 ········<tr>
146 ··········<td·class="memname">typedef·DPMap_::iterator·<a·class="el"·href="../../dc/df1/a06758.html#a3eaab27c6265a81e0124e46000e10c9b">BALL::FPTBondOrderStrategy::DPTable_::iterator</a></td>146 ··········<td·class="memname">typedef·DPMap_::iterator·<a·class="el"·href="../../dc/df1/a06758.html#a3eaab27c6265a81e0124e46000e10c9b">BALL::FPTBondOrderStrategy::DPTable_::iterator</a></td>
147 ········</tr>147 ········</tr>
148 ······</table>148 ······</table>
149 </div><div·class="memdoc">149 </div><div·class="memdoc">
150 <p·>iterator·above·the·table·entries·</p>150 <p·>iterator·above·the·table·entries·</p>
  
151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00373">373</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00373">373</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
152 </div>152 </div>
153 </div>153 </div>
154 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>154 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
155 <a·id="a877e3fc5a61b8e2f1ec9b0b17b9089f8"·name="a877e3fc5a61b8e2f1ec9b0b17b9089f8"></a>155 <a·id="a877e3fc5a61b8e2f1ec9b0b17b9089f8"·name="a877e3fc5a61b8e2f1ec9b0b17b9089f8"></a>
156 <h2·class="memtitle"><span·class="permalink"><a·href="#a877e3fc5a61b8e2f1ec9b0b17b9089f8">&#9670;&nbsp;</a></span>DPTable_()·<span·class="overload">[1/2]</span></h2>156 <h2·class="memtitle"><span·class="permalink"><a·href="#a877e3fc5a61b8e2f1ec9b0b17b9089f8">&#9670;&nbsp;</a></span>DPTable_()·<span·class="overload">[1/2]</span></h2>
  
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389 ··<td·class="mlabels-right">389 ··<td·class="mlabels-right">
390 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>390 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
391 ··</tr>391 ··</tr>
392 </table>392 </table>
393 </div><div·class="memdoc">393 </div><div·class="memdoc">
394 <p·>the·table·data·is·represented·as·a·tree·map,·because·this·allow·fast·inserting·of·DPConfigs·and·removing·duplicates·with·greater·penalty.·</p>394 <p·>the·table·data·is·represented·as·a·tree·map,·because·this·allow·fast·inserting·of·DPConfigs·and·removing·duplicates·with·greater·penalty.·</p>
  
395 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00357">357</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">FPTBondOrderStrategy.h</a>.</p>395 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00357">357</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
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397 </div>397 </div>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_c8e27d334dbf29715d417e80ae19bc06.html">PLUGIN</a></li>··</ul>
65 </div>65 </div>
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69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
 71 <a·href="#func-members">Functions</a>··</div>
71 ··<div·class="headertitle"><div·class="title">disulfidBondProcessor.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALLPlugin.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;set&gt;</code><br·/>76 <code>#include·&lt;QtCore/QString&gt;</code><br·/>
 77 <code>#include·&lt;QtCore/QtPlugin&gt;</code><br·/>
 78 <code>#include·&lt;QtCore/QVariant&gt;</code><br·/>
77 </div>79 </div>
78 <p><a·href="../../dc/df2/a00656_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../dc/df2/a00656_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">81 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>83 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d3c/a06854.html">BALL::DisulfidBondProcessor</a></td></tr>84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d22/a05546.html">BALL::BALLPlugin</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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86 Namespaces</h2></td></tr>88 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 91 </table><table·class="memberdecls">
 92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 93 Functions</h2></td></tr>
 94 <tr·class="memitem:ab59f10b6bfc2a745fa0875314c2efd8c"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr>
 95 <tr·class="memitem:ab59f10b6bfc2a745fa0875314c2efd8c"><td·class="memTemplItemLeft"·align="right"·valign="top">T&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../dc/df2/a00656.html#ab59f10b6bfc2a745fa0875314c2efd8c">qobject_cast</a>·(<a·class="el"·href="../../d1/d22/a05546.html">BALL::BALLPlugin</a>·*plugin)</td></tr>
 96 <tr·class="separator:ab59f10b6bfc2a745fa0875314c2efd8c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table>97 </table>
 98 <h2·class="groupheader">Function·Documentation</h2>
 99 <a·id="ab59f10b6bfc2a745fa0875314c2efd8c"·name="ab59f10b6bfc2a745fa0875314c2efd8c"></a>
 100 <h2·class="memtitle"><span·class="permalink"><a·href="#ab59f10b6bfc2a745fa0875314c2efd8c">&#9670;&nbsp;</a></span>qobject_cast()</h2>
  
 101 <div·class="memitem">
 102 <div·class="memproto">
 103 <div·class="memtemplate">
 104 template&lt;typename·T·&gt;·</div>
 105 ······<table·class="memname">
 106 ········<tr>
 107 ··········<td·class="memname">T·qobject_cast·</td>
 108 ··········<td>(</td>
 109 ··········<td·class="paramtype"><a·class="el"·href="../../d1/d22/a05546.html">BALL::BALLPlugin</a>·*&#160;</td>
 110 ··········<td·class="paramname"><em>plugin</em></td><td>)</td>
 111 ··········<td></td>
 112 ········</tr>
 113 ······</table>
 114 </div><div·class="memdoc">
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">conformation.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">expression.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d00/a00401_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/d95/a01637_source.html">BALL/CONCEPT/property.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d7/def/a00521_source.html">BALL/KERNEL/expressionParser.h</a>&gt;</code><br·/>
76 <code>#include·&lt;QtCore/QCryptographicHash&gt;</code><br·/> 
77 </div>76 </div>
78 <p><a·href="../../dc/df9/a00554_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../dc/df9/a00554_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">78 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>80 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d71/a03626.html">BALL::Conformation</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dba/a04502.html">BALL::Expression</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
84 </table><table·class="memberdecls">83 </table><table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
86 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../d8/d73/a03799.html">List·of·all·members</a>··</div>72 <a·href="../../d8/d73/a03799.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::GeometricFit::Peak_·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::GeometricFit::Peak_·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../df/db6/a00509_source.html">BALL/DOCKING/geometricFit.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dc/d0c/a01532_source.html">BALL/DOCKING/geometricFit.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:abfaf415e952e2b5f37e07e5363dfe5ac"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a03802.html#abfaf415e952e2b5f37e07e5363dfe5ac">Peak_</a>·()</td></tr>80 <tr·class="memitem:abfaf415e952e2b5f37e07e5363dfe5ac"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a03802.html#abfaf415e952e2b5f37e07e5363dfe5ac">Peak_</a>·()</td></tr>
81 <tr·class="separator:abfaf415e952e2b5f37e07e5363dfe5ac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:abfaf415e952e2b5f37e07e5363dfe5ac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:adb012cc15eecc96273af615a253237ad"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a03802.html#adb012cc15eecc96273af615a253237ad">~Peak_</a>·()</td></tr>82 <tr·class="memitem:adb012cc15eecc96273af615a253237ad"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a03802.html#adb012cc15eecc96273af615a253237ad">~Peak_</a>·()</td></tr>
83 <tr·class="separator:adb012cc15eecc96273af615a253237ad"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:adb012cc15eecc96273af615a253237ad"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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93 <tr·class="separator:a6d0f62b3c5ec6a9a48a9c1dcca0c345f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:a6d0f62b3c5ec6a9a48a9c1dcca0c345f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 <tr·class="memitem:a9219991e47030e84b6b315e7fcc3e22e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a03802.html#a9219991e47030e84b6b315e7fcc3e22e">translation</a></td></tr>94 <tr·class="memitem:a9219991e47030e84b6b315e7fcc3e22e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a03802.html#a9219991e47030e84b6b315e7fcc3e22e">translation</a></td></tr>
95 <tr·class="separator:a9219991e47030e84b6b315e7fcc3e22e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:a9219991e47030e84b6b315e7fcc3e22e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table>96 </table>
97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
98 <div·class="textblock"><p·>nested·class·<a·class="el"·href="../../dc/dfc/a03802.html">Peak_</a>·This·class·is·needed·for·an·efficient·handling·of·all·peaks·corresponding·to·one·orientation·in·a·multiset·</p>98 <div·class="textblock"><p·>nested·class·<a·class="el"·href="../../dc/dfc/a03802.html">Peak_</a>·This·class·is·needed·for·an·efficient·handling·of·all·peaks·corresponding·to·one·orientation·in·a·multiset·</p>
  
99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/db6/a00509_source.html#l00182">182</a>·of·file·<a·class="el"·href="../../df/db6/a00509_source.html">geometricFit.h</a>.</p>99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d0c/a01532_source.html#l00182">182</a>·of·file·<a·class="el"·href="../../dc/d0c/a01532_source.html">geometricFit.h</a>.</p>
100 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>100 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
101 <a·id="abfaf415e952e2b5f37e07e5363dfe5ac"·name="abfaf415e952e2b5f37e07e5363dfe5ac"></a>101 <a·id="abfaf415e952e2b5f37e07e5363dfe5ac"·name="abfaf415e952e2b5f37e07e5363dfe5ac"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#abfaf415e952e2b5f37e07e5363dfe5ac">&#9670;&nbsp;</a></span>Peak_()</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#abfaf415e952e2b5f37e07e5363dfe5ac">&#9670;&nbsp;</a></span>Peak_()</h2>
  
103 <div·class="memitem">103 <div·class="memitem">
104 <div·class="memproto">104 <div·class="memproto">
105 ······<table·class="memname">105 ······<table·class="memname">
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162 ········<tr>162 ········<tr>
163 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·BALL::GeometricFit::Peak_::orientation</td>163 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·BALL::GeometricFit::Peak_::orientation</td>
164 ········</tr>164 ········</tr>
165 ······</table>165 ······</table>
166 </div><div·class="memdoc">166 </div><div·class="memdoc">
  
167 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/db6/a00509_source.html#l00196">196</a>·of·file·<a·class="el"·href="../../df/db6/a00509_source.html">geometricFit.h</a>.</p>167 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d0c/a01532_source.html#l00196">196</a>·of·file·<a·class="el"·href="../../dc/d0c/a01532_source.html">geometricFit.h</a>.</p>
  
168 </div>168 </div>
169 </div>169 </div>
170 <a·id="a9219991e47030e84b6b315e7fcc3e22e"·name="a9219991e47030e84b6b315e7fcc3e22e"></a>170 <a·id="a9219991e47030e84b6b315e7fcc3e22e"·name="a9219991e47030e84b6b315e7fcc3e22e"></a>
171 <h2·class="memtitle"><span·class="permalink"><a·href="#a9219991e47030e84b6b315e7fcc3e22e">&#9670;&nbsp;</a></span>translation</h2>171 <h2·class="memtitle"><span·class="permalink"><a·href="#a9219991e47030e84b6b315e7fcc3e22e">&#9670;&nbsp;</a></span>translation</h2>
  
172 <div·class="memitem">172 <div·class="memitem">
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177 ······<table·class="memname">177 ······<table·class="memname">
178 ········<tr>178 ········<tr>
179 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·BALL::GeometricFit::Peak_::translation</td>179 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·BALL::GeometricFit::Peak_::translation</td>
180 ········</tr>180 ········</tr>
181 ······</table>181 ······</table>
182 </div><div·class="memdoc">182 </div><div·class="memdoc">
  
183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/db6/a00509_source.html#l00197">197</a>·of·file·<a·class="el"·href="../../df/db6/a00509_source.html">geometricFit.h</a>.</p>183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d0c/a01532_source.html#l00197">197</a>·of·file·<a·class="el"·href="../../dc/d0c/a01532_source.html">geometricFit.h</a>.</p>
  
184 </div>184 </div>
185 </div>185 </div>
186 <a·id="a25b65974d05fd27df0764c1897f64c70"·name="a25b65974d05fd27df0764c1897f64c70"></a>186 <a·id="a25b65974d05fd27df0764c1897f64c70"·name="a25b65974d05fd27df0764c1897f64c70"></a>
187 <h2·class="memtitle"><span·class="permalink"><a·href="#a25b65974d05fd27df0764c1897f64c70">&#9670;&nbsp;</a></span>value</h2>187 <h2·class="memtitle"><span·class="permalink"><a·href="#a25b65974d05fd27df0764c1897f64c70">&#9670;&nbsp;</a></span>value</h2>
  
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194 ········<tr>194 ········<tr>
195 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::GeometricFit::Peak_::value</td>195 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::GeometricFit::Peak_::value</td>
196 ········</tr>196 ········</tr>
197 ······</table>197 ······</table>
198 </div><div·class="memdoc">198 </div><div·class="memdoc">
  
199 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/db6/a00509_source.html#l00195">195</a>·of·file·<a·class="el"·href="../../df/db6/a00509_source.html">geometricFit.h</a>.</p>199 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d0c/a01532_source.html#l00195">195</a>·of·file·<a·class="el"·href="../../dc/d0c/a01532_source.html">geometricFit.h</a>.</p>
  
200 </div>200 </div>
201 </div>201 </div>
202 </div><!--·contents·-->202 </div><!--·contents·-->
203 <!--·start·footer·part·-->203 <!--·start·footer·part·-->
204 <hr·class="footer"/><address·class="footer"><small>204 <hr·class="footer"/><address·class="footer"><small>
205 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4205 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d2/d83/a07023.html">List·of·all·members</a>··</div>70 <a·href="../../d2/d83/a07023.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::RadialDistributionFunction·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/dc3/a02190.html">Radial·Distribution·Functions</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::RadialDistributionFunction·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/dc3/a02190.html">Radial·Distribution·Functions</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../dc/de4/a00677_source.html">BALL/STRUCTURE/radialDistributionFunction.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d2/d31/a01811_source.html">BALL/STRUCTURE/radialDistributionFunction.h</a>&gt;</code></p>
75 <table·class="memberdecls">75 <table·class="memberdecls">
76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
77 Public·Member·Functions</h2></td></tr>77 Public·Member·Functions</h2></td></tr>
78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructor.</div></td></tr>78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructor.</div></td></tr>
79 <tr·class="memitem:adf8f495a15440e58ec5d49b388da6482"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a07026.html#adf8f495a15440e58ec5d49b388da6482">RadialDistributionFunction</a>·()</td></tr>79 <tr·class="memitem:adf8f495a15440e58ec5d49b388da6482"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a07026.html#adf8f495a15440e58ec5d49b388da6482">RadialDistributionFunction</a>·()</td></tr>
80 <tr·class="separator:adf8f495a15440e58ec5d49b388da6482"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:adf8f495a15440e58ec5d49b388da6482"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a9ec868a95bab34fd33088f7d1b6b9bf2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a07026.html#a9ec868a95bab34fd33088f7d1b6b9bf2">RadialDistributionFunction</a>·(const·<a·class="el"·href="../../dc/dfc/a07026.html">RadialDistributionFunction</a>·&amp;rdf)</td></tr>81 <tr·class="memitem:a9ec868a95bab34fd33088f7d1b6b9bf2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a07026.html#a9ec868a95bab34fd33088f7d1b6b9bf2">RadialDistributionFunction</a>·(const·<a·class="el"·href="../../dc/dfc/a07026.html">RadialDistributionFunction</a>·&amp;rdf)</td></tr>
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113 <tr·class="separator:a22b612ee35516609b1fa82e549560b7f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>113 <tr·class="separator:a22b612ee35516609b1fa82e549560b7f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
114 <tr·class="memitem:a3f3fa2256aaa2e75ef7d435ec1014ef5"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a07026.html#a3f3fa2256aaa2e75ef7d435ec1014ef5">dump</a>·(std::ostream·&amp;s=std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0)·const</td></tr>114 <tr·class="memitem:a3f3fa2256aaa2e75ef7d435ec1014ef5"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a07026.html#a3f3fa2256aaa2e75ef7d435ec1014ef5">dump</a>·(std::ostream·&amp;s=std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0)·const</td></tr>
115 <tr·class="separator:a3f3fa2256aaa2e75ef7d435ec1014ef5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>115 <tr·class="separator:a3f3fa2256aaa2e75ef7d435ec1014ef5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
116 </table>116 </table>
117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
118 <div·class="textblock"><p·>Radial·distribution·function.·This·class·provides·an·interface·for·the·use·of·radial·distribution·functions.·These·functions·describe·the·deviation·of·the·number·density·in·a·real·fluid·from·the·ideal·(isotropic)·case.·The·representation·of·such·a·function·is·a·piecewise·polynomial·obtained·by·smoothing·spline·fit·from·molecular·dynamics·simulation.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>118 <div·class="textblock"><p·>Radial·distribution·function.·This·class·provides·an·interface·for·the·use·of·radial·distribution·functions.·These·functions·describe·the·deviation·of·the·number·density·in·a·real·fluid·from·the·ideal·(isotropic)·case.·The·representation·of·such·a·function·is·a·piecewise·polynomial·obtained·by·smoothing·spline·fit·from·molecular·dynamics·simulation.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/de4/a00677_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../dc/de4/a00677_source.html">radialDistributionFunction.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a01811_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d2/d31/a01811_source.html">radialDistributionFunction.h</a>.</p>
120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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122 <h2·class="memtitle"><span·class="permalink"><a·href="#adf8f495a15440e58ec5d49b388da6482">&#9670;&nbsp;</a></span>RadialDistributionFunction()·<span·class="overload">[1/3]</span></h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#adf8f495a15440e58ec5d49b388da6482">&#9670;&nbsp;</a></span>RadialDistributionFunction()·<span·class="overload">[1/3]</span></h2>
  
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445 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/de4/a00677_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../dc/de4/a00677_source.html">radialDistributionFunction.h</a>.</p>445 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a01811_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d2/d31/a01811_source.html">radialDistributionFunction.h</a>.</p>
  
446 </div>446 </div>
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449 <h2·class="memtitle"><span·class="permalink"><a·href="#af6559ab02c5facfac19c046901b95a70">&#9670;&nbsp;</a></span>valid_</h2>449 <h2·class="memtitle"><span·class="permalink"><a·href="#af6559ab02c5facfac19c046901b95a70">&#9670;&nbsp;</a></span>valid_</h2>
  
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463 ··</td>463 ··</td>
464 ··<td·class="mlabels-right">464 ··<td·class="mlabels-right">
465 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>465 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
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469 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/de4/a00677_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../dc/de4/a00677_source.html">radialDistributionFunction.h</a>.</p>469 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a01811_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../d2/d31/a01811_source.html">radialDistributionFunction.h</a>.</p>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_f03d71dde2003b483dd9e4436a4b37e3.html">MMFF94</a></li>··</ul>
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
 71 <a·href="#define-members">Macros</a>··</div>
71 ··<div·class="headertitle"><div·class="title">trajectoryFileFactory.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">MMFF94OutOfPlaneBend.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/dbe/a01706_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/dab/a00089_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d3/d8b/a00059_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../df/dc8/a00122_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code><br·/>
75 </div>78 </div>
76 <p><a·href="../../dc/dfe/a00125_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../dc/dfe/a00125_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">80 <table·class="memberdecls">
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79 Classes</h2></td></tr>82 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d1f/a04450.html">BALL::TrajectoryFileFactory</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d63/a05242.html">BALL::MMFF94OutOfPlaneBend</a></td></tr>
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 85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dbd/a05246.html">BALL::MMFF94OutOfPlaneBend::OutOfPlaneBend</a></td></tr>
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85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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 95 <tr·class="memitem:a33232c08498db9a54da0c3017b2bcccc"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfe/a00125.html#a33232c08498db9a54da0c3017b2bcccc">MMFF94_OUTOFPLANE_ENABLED</a>&#160;&#160;&#160;&quot;enable·OutOfPlane&quot;</td></tr>
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87 </table>98 </table>
 99 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 100 <a·id="a33232c08498db9a54da0c3017b2bcccc"·name="a33232c08498db9a54da0c3017b2bcccc"></a>
 101 <h2·class="memtitle"><span·class="permalink"><a·href="#a33232c08498db9a54da0c3017b2bcccc">&#9670;&nbsp;</a></span>MMFF94_OUTOFPLANE_ENABLED</h2>
  
 102 <div·class="memitem">
 103 <div·class="memproto">
 104 ······<table·class="memname">
 105 ········<tr>
 106 ··········<td·class="memname">#define·MMFF94_OUTOFPLANE_ENABLED&#160;&#160;&#160;&quot;enable·OutOfPlane&quot;</td>
 107 ········</tr>
 108 ······</table>
 109 </div><div·class="memdoc">
  
 110 <p>flag·to·enable·OutOfPlane·</p>
  
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 112 </div>
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75 ··<div·class="headertitle"><div·class="title">BALL::BindingPocketProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>75 ··<div·class="headertitle"><div·class="title">BALL::BindingPocketProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>
76 </div><!--header-->76 </div><!--header-->
77 <div·class="contents">77 <div·class="contents">
  
78 <p><code>#include·&lt;<a·class="el"·href="../../d9/d42/a00575_source.html">BALL/STRUCTURE/bindingPocketProcessor.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../dc/d3e/a01712_source.html">BALL/STRUCTURE/bindingPocketProcessor.h</a>&gt;</code></p>
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80 Inheritance·diagram·for·BALL::BindingPocketProcessor:</div>80 Inheritance·diagram·for·BALL::BindingPocketProcessor:</div>
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82 ·<div·class="center">82 ·<div·class="center">
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84 ··<map·id="BALL::BindingPocketProcessor_map"·name="BALL::BindingPocketProcessor_map">84 ··<map·id="BALL::BindingPocketProcessor_map"·name="BALL::BindingPocketProcessor_map">
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153 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>153 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
154 </table>154 </table>
155 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>155 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
156 <div·class="textblock"><p·>This·processor·searches·for·binding·pockets·in·a·given·atom·container.·The·pockets·are·detected·with·the·PASS·method·(Fast·Feature·Selection·Using·Fractal·Dimension·(2000)·Caetano·Traina,·Jr.,·Agma·Traina,·et·al)·</p>156 <div·class="textblock"><p·>This·processor·searches·for·binding·pockets·in·a·given·atom·container.·The·pockets·are·detected·with·the·PASS·method·(Fast·Feature·Selection·Using·Fractal·Dimension·(2000)·Caetano·Traina,·Jr.,·Agma·Traina,·et·al)·</p>
  
157 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d42/a00575_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../d9/d42/a00575_source.html">bindingPocketProcessor.h</a>.</p>157 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d3e/a01712_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../dc/d3e/a01712_source.html">bindingPocketProcessor.h</a>.</p>
158 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>158 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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160 <h2·class="memtitle"><span·class="permalink"><a·href="#a436b7ba7e6847a9446489c583d2b6e6b">&#9670;&nbsp;</a></span>BindingPocketProcessor()·<span·class="overload">[1/3]</span></h2>160 <h2·class="memtitle"><span·class="permalink"><a·href="#a436b7ba7e6847a9446489c583d2b6e6b">&#9670;&nbsp;</a></span>BindingPocketProcessor()·<span·class="overload">[1/3]</span></h2>
  
161 <div·class="memitem">161 <div·class="memitem">
162 <div·class="memproto">162 <div·class="memproto">
163 ······<table·class="memname">163 ······<table·class="memname">
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385 ··<td·class="mlabels-right">385 ··<td·class="mlabels-right">
386 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>386 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
387 ··</tr>387 ··</tr>
388 </table>388 </table>
389 </div><div·class="memdoc">389 </div><div·class="memdoc">
390 <p·>output·operator·for·Sphere·TODO:·implement!·</p>390 <p·>output·operator·for·Sphere·TODO:·implement!·</p>
  
391 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d42/a00575_source.html#l00225">225</a>·of·file·<a·class="el"·href="../../d9/d42/a00575_source.html">bindingPocketProcessor.h</a>.</p>391 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d3e/a01712_source.html#l00225">225</a>·of·file·<a·class="el"·href="../../dc/d3e/a01712_source.html">bindingPocketProcessor.h</a>.</p>
  
392 </div>392 </div>
393 </div>393 </div>
394 <h2·class="groupheader">Member·Data·Documentation</h2>394 <h2·class="groupheader">Member·Data·Documentation</h2>
395 <a·id="a7a973806f41409b82ceb6c290d52c807"·name="a7a973806f41409b82ceb6c290d52c807"></a>395 <a·id="a7a973806f41409b82ceb6c290d52c807"·name="a7a973806f41409b82ceb6c290d52c807"></a>
396 <h2·class="memtitle"><span·class="permalink"><a·href="#a7a973806f41409b82ceb6c290d52c807">&#9670;&nbsp;</a></span>options</h2>396 <h2·class="memtitle"><span·class="permalink"><a·href="#a7a973806f41409b82ceb6c290d52c807">&#9670;&nbsp;</a></span>options</h2>
  
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403 ········<tr>403 ········<tr>
404 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::BindingPocketProcessor::options</td>404 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::BindingPocketProcessor::options</td>
405 ········</tr>405 ········</tr>
406 ······</table>406 ······</table>
407 </div><div·class="memdoc">407 </div><div·class="memdoc">
408 <p·>options·for·BALLPass·</p>408 <p·>options·for·BALLPass·</p>
  
409 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d42/a00575_source.html#l00151">151</a>·of·file·<a·class="el"·href="../../d9/d42/a00575_source.html">bindingPocketProcessor.h</a>.</p>409 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d3e/a01712_source.html#l00151">151</a>·of·file·<a·class="el"·href="../../dc/d3e/a01712_source.html">bindingPocketProcessor.h</a>.</p>
  
410 </div>410 </div>
411 </div>411 </div>
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413 <!--·start·footer·part·-->413 <!--·start·footer·part·-->
414 <hr·class="footer"/><address·class="footer"><small>414 <hr·class="footer"/><address·class="footer"><small>
415 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4415 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../d8/dd8/a06575.html">List·of·all·members</a>··</div>71 <a·href="../../d8/dd8/a06575.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::FDPB::ChargeDistribution·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::FDPB::ChargeDistribution·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/SOLVATION/poissonBoltzmann.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d0/dce/a01946_source.html">BALL/SOLVATION/poissonBoltzmann.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:ada154e7976a90d8f250c3bcbbc52f9c7"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d05/a06578.html#ada154e7976a90d8f250c3bcbbc52f9c7">TRILINEAR</a></td></tr>79 <tr·class="memitem:ada154e7976a90d8f250c3bcbbc52f9c7"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d05/a06578.html#ada154e7976a90d8f250c3bcbbc52f9c7">TRILINEAR</a></td></tr>
80 <tr·class="separator:ada154e7976a90d8f250c3bcbbc52f9c7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:ada154e7976a90d8f250c3bcbbc52f9c7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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82 <tr·class="separator:ac91e10d3b595ded396f28b0adc3efa8d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:ac91e10d3b595ded396f28b0adc3efa8d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock"><p·><a·class="el"·href="../../d4/d54/a02218.html">Constants</a>·to·define·the·charge·distribution·methods.·</p>85 <div·class="textblock"><p·><a·class="el"·href="../../d4/d54/a02218.html">Constants</a>·to·define·the·charge·distribution·methods.·</p>
  
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00453">453</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">poissonBoltzmann.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dce/a01946_source.html#l00453">453</a>·of·file·<a·class="el"·href="../../d0/dce/a01946_source.html">poissonBoltzmann.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="ada154e7976a90d8f250c3bcbbc52f9c7"·name="ada154e7976a90d8f250c3bcbbc52f9c7"></a>88 <a·id="ada154e7976a90d8f250c3bcbbc52f9c7"·name="ada154e7976a90d8f250c3bcbbc52f9c7"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#ada154e7976a90d8f250c3bcbbc52f9c7">&#9670;&nbsp;</a></span>TRILINEAR</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#ada154e7976a90d8f250c3bcbbc52f9c7">&#9670;&nbsp;</a></span>TRILINEAR</h2>
  
90 <div·class="memitem">90 <div·class="memitem">
91 <div·class="memproto">91 <div·class="memproto">
92 <table·class="mlabels">92 <table·class="mlabels">
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104 ··<td·class="mlabels-right">104 ··<td·class="mlabels-right">
105 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>105 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
106 ··</tr>106 ··</tr>
107 </table>107 </table>
108 </div><div·class="memdoc">108 </div><div·class="memdoc">
109 <p·>Charge·distribution·method·Trilinear:·charge·is·distributed·over·the·eight·nearest·gridpoints.·</p>109 <p·>Charge·distribution·method·Trilinear:·charge·is·distributed·over·the·eight·nearest·gridpoints.·</p>
  
110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00458">458</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">poissonBoltzmann.h</a>.</p>110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dce/a01946_source.html#l00458">458</a>·of·file·<a·class="el"·href="../../d0/dce/a01946_source.html">poissonBoltzmann.h</a>.</p>
  
111 </div>111 </div>
112 </div>112 </div>
113 <a·id="ac91e10d3b595ded396f28b0adc3efa8d"·name="ac91e10d3b595ded396f28b0adc3efa8d"></a>113 <a·id="ac91e10d3b595ded396f28b0adc3efa8d"·name="ac91e10d3b595ded396f28b0adc3efa8d"></a>
114 <h2·class="memtitle"><span·class="permalink"><a·href="#ac91e10d3b595ded396f28b0adc3efa8d">&#9670;&nbsp;</a></span>UNIFORM</h2>114 <h2·class="memtitle"><span·class="permalink"><a·href="#ac91e10d3b595ded396f28b0adc3efa8d">&#9670;&nbsp;</a></span>UNIFORM</h2>
  
115 <div·class="memitem">115 <div·class="memitem">
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129 ··<td·class="mlabels-right">129 ··<td·class="mlabels-right">
130 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>130 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
131 ··</tr>131 ··</tr>
132 </table>132 </table>
133 </div><div·class="memdoc">133 </div><div·class="memdoc">
134 <p·>Charge·distribution·method·Uniform:·charge·is·distributed·over·all·gridpoints·inside·the·atom·radius.·</p>134 <p·>Charge·distribution·method·Uniform:·charge·is·distributed·over·all·gridpoints·inside·the·atom·radius.·</p>
  
135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00463">463</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">poissonBoltzmann.h</a>.</p>135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dce/a01946_source.html#l00463">463</a>·of·file·<a·class="el"·href="../../d0/dce/a01946_source.html">poissonBoltzmann.h</a>.</p>
  
136 </div>136 </div>
137 </div>137 </div>
138 </div><!--·contents·-->138 </div><!--·contents·-->
139 <!--·start·footer·part·-->139 <!--·start·footer·part·-->
140 <hr·class="footer"/><address·class="footer"><small>140 <hr·class="footer"/><address·class="footer"><small>
141 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4141 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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./usr/share/doc/libball1.5/html/BALL/dd/d08/a00884.html
    
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">assignTypes.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">JCAMPFile.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/FORMAT/lineBasedFile.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d8/db7/a00812_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
76 <code>#include·&lt;vector&gt;</code><br·/> 
77 </div>76 </div>
78 <p><a·href="../../dd/d08/a00884_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../dd/d08/a00884_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">78 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>80 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/df4/a05050.html">BALL::AssignBaseProcessor</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc4/a03938.html">BALL::JCAMPFile</a></td></tr>
83 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Only·used·for·deriving·interface.··<a·href="../../da/df4/a05050.html#details">More...</a><br·/></td></tr> 
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d09/a05054.html">BALL::AssignTypeProcessor</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/ded/a03942.html">BALL::JCAMPFile::JCAMPValue</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/df3/a05058.html">BALL::AssignTypeNameProcessor</a></td></tr> 
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">85 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
91 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li><li·class="navelem"><a·class="el"·href="../../dir_63800ef38c29322dc72b2a63f41a2424.html">RENDERERS</a></li>··</ul>
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">twoColoredLine.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">VRMLRenderer.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/dde/a01496_source.html">BALL/VIEW/DATATYPE/colorExtensions.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d6f/a01445_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d8/d27/a01043_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/DATATYPE/vertex2.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
77 <code>#include·&lt;BALL/VIEW/PRIMITIVES/twoColoredLine.iC&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
78 </div>78 </div>
79 <p><a·href="../../dd/d08/a01448_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../dd/d08/a01448_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">80 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>82 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/da2/a08210.html">BALL::VIEW::TwoColoredLine</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dc4/a08318.html">BALL::VIEW::VRMLRenderer</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table><table·class="memberdecls">85 </table><table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
87 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../df/db7/a05715.html">List·of·all·members</a>··</div>70 <a·href="../../df/db7/a05715.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::FeatureSelection·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::FeatureSelection·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d3/def/a01985_source.html">BALL/QSAR/featureSelection.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d9/d34/a00476_source.html">BALL/QSAR/featureSelection.h</a>&gt;</code></p>
75 <table·class="memberdecls">75 <table·class="memberdecls">
76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
77 Public·Member·Functions</h2></td></tr>77 Public·Member·Functions</h2></td></tr>
78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>
79 <tr·class="memitem:a7636137476872cedfd9df81097a5e691"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d08/a05718.html#a7636137476872cedfd9df81097a5e691">FeatureSelection</a>·(<a·class="el"·href="../../d9/dc9/a05774.html">Model</a>·&amp;m)</td></tr>79 <tr·class="memitem:a7636137476872cedfd9df81097a5e691"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d08/a05718.html#a7636137476872cedfd9df81097a5e691">FeatureSelection</a>·(<a·class="el"·href="../../d9/dc9/a05774.html">Model</a>·&amp;m)</td></tr>
80 <tr·class="separator:a7636137476872cedfd9df81097a5e691"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a7636137476872cedfd9df81097a5e691"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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108 <tr·class="memitem:a3d52af5a33fc3beddb7c07b92a196689"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d08/a05718.html#a3d52af5a33fc3beddb7c07b92a196689">selectStat</a>·(int·s)</td></tr>108 <tr·class="memitem:a3d52af5a33fc3beddb7c07b92a196689"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d08/a05718.html#a3d52af5a33fc3beddb7c07b92a196689">selectStat</a>·(int·s)</td></tr>
109 <tr·class="separator:a3d52af5a33fc3beddb7c07b92a196689"><td·class="memSeparator"·colspan="2">&#160;</td></tr>109 <tr·class="separator:a3d52af5a33fc3beddb7c07b92a196689"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
110 <tr·class="memitem:ae17638e2c1bae53542c97f122b59fc7d"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d08/a05718.html#ae17638e2c1bae53542c97f122b59fc7d">setQualityIncreaseCutoff</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;d)</td></tr>110 <tr·class="memitem:ae17638e2c1bae53542c97f122b59fc7d"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d08/a05718.html#ae17638e2c1bae53542c97f122b59fc7d">setQualityIncreaseCutoff</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;d)</td></tr>
111 <tr·class="separator:ae17638e2c1bae53542c97f122b59fc7d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>111 <tr·class="separator:ae17638e2c1bae53542c97f122b59fc7d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
112 </table>112 </table>
113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
114 <div·class="textblock">114 <div·class="textblock">
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a01985_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d3/def/a01985_source.html">featureSelection.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d34/a00476_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d9/d34/a00476_source.html">featureSelection.h</a>.</p>
116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
117 <a·id="a7636137476872cedfd9df81097a5e691"·name="a7636137476872cedfd9df81097a5e691"></a>117 <a·id="a7636137476872cedfd9df81097a5e691"·name="a7636137476872cedfd9df81097a5e691"></a>
118 <h2·class="memtitle"><span·class="permalink"><a·href="#a7636137476872cedfd9df81097a5e691">&#9670;&nbsp;</a></span>FeatureSelection()·<span·class="overload">[1/2]</span></h2>118 <h2·class="memtitle"><span·class="permalink"><a·href="#a7636137476872cedfd9df81097a5e691">&#9670;&nbsp;</a></span>FeatureSelection()·<span·class="overload">[1/2]</span></h2>
  
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8 <title>BALL:·threads.h·File·Reference</title>8 <title>BALL:·textEditorWidget.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
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72 ··<div·class="headertitle"><div·class="title">BALL::QuadraticAngleBend::Data·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QuadraticAngleBend::Data·Struct·Reference</div></div>
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73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
76 <code>#include·&lt;boost/regex.h&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d4/de5/a00503_source.html">BALL/KERNEL/PTE.h</a>&gt;</code><br·/>
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 81 <code>#include·&lt;set&gt;</code><br·/>
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80 <p><a·href="../../dd/d19/a01922_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../dd/d19/a01922_source.html">Go·to·the·source·code·of·this·file.</a></p>
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74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
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120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Predicate·for·matching·elements.·Returns·<code>true</code>,·if·the·element·symbol·of·the·atom·matches·exactly·the·argument·of·this·predicate.·</p>122 <div·class="textblock"><p·>Predicate·for·matching·elements.·Returns·<code>true</code>,·if·the·element·symbol·of·the·atom·matches·exactly·the·argument·of·this·predicate.·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
125 <a·id="a226bb6c347d9f38ade5b8a5bcc968531"·name="a226bb6c347d9f38ade5b8a5bcc968531"></a>125 <a·id="a226bb6c347d9f38ade5b8a5bcc968531"·name="a226bb6c347d9f38ade5b8a5bcc968531"></a>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">pcrModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">pairExpInteractionEnergyProcessor.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d0a/a02015_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/d51/a20335_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../dd/dd7/a00260_source.html">BALL/MATHS/surface.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d3/d59/a01973_source.html">BALL/QSAR/rrModel.h</a>&gt;</code><br·/>78 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/ENERGY/energyProcessor.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../dd/de7/a01868_source.html">BALL/STRUCTURE/RDFParameter.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../d1/db0/a01928_source.html">BALL/SOLVATION/pairExpRDFIntegrator.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d6/d8e/a01979_source.html">BALL/QSAR/latentVariableModel.h</a>&gt;</code><br·/>81 <code>#include·&lt;<a·class="el"·href="../../d4/d93/a01955_source.html">BALL/SOLVATION/solventDescriptor.h</a>&gt;</code><br·/>
78 </div>82 </div>
79 <p><a·href="../../dd/d2e/a01949_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../dd/d2e/a01949_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">84 <table·class="memberdecls">
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 91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d0a/a06526.html">BALL::PairExpInteractionEnergyProcessor::Default</a></td></tr>
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88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>96 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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96 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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73 ··<div·class="headertitle"><div·class="title">BALL::CIFFile::Datacontent·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::CIFFile::Datacontent·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d0/d89/a00071_source.html">BALL/FORMAT/CIFFile.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d3/d29/a00947_source.html">BALL/FORMAT/CIFFile.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:addf73e3e1360d47495e79653c13ee2aa"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d31/a03862.html#addf73e3e1360d47495e79653c13ee2aa">Datacontent</a>·()</td></tr>80 <tr·class="memitem:addf73e3e1360d47495e79653c13ee2aa"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d31/a03862.html#addf73e3e1360d47495e79653c13ee2aa">Datacontent</a>·()</td></tr>
81 <tr·class="separator:addf73e3e1360d47495e79653c13ee2aa"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:addf73e3e1360d47495e79653c13ee2aa"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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83 <tr·class="separator:aa601f75ffc698c4eb5a1b89dba129f86"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:aa601f75ffc698c4eb5a1b89dba129f86"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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96 <tr·class="memitem:a3bfb9956a242368cfee190dadd026a3b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d83/a03854.html">Item</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d31/a03862.html#a3bfb9956a242368cfee190dadd026a3b">dataitem</a></td></tr>96 <tr·class="memitem:a3bfb9956a242368cfee190dadd026a3b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d83/a03854.html">Item</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d31/a03862.html#a3bfb9956a242368cfee190dadd026a3b">dataitem</a></td></tr>
97 <tr·class="separator:a3bfb9956a242368cfee190dadd026a3b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:a3bfb9956a242368cfee190dadd026a3b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>98 </table>
99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
100 <div·class="textblock"><p·>Nested·class·for·the·data·entity·of·the·<a·class="el"·href="../../db/d2a/a03850.html">CIFFile</a>·</p>100 <div·class="textblock"><p·>Nested·class·for·the·data·entity·of·the·<a·class="el"·href="../../db/d2a/a03850.html">CIFFile</a>·</p>
  
101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d89/a00071_source.html#l00116">116</a>·of·file·<a·class="el"·href="../../d0/d89/a00071_source.html">CIFFile.h</a>.</p>101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00116">116</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
102 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>102 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
103 <a·id="addf73e3e1360d47495e79653c13ee2aa"·name="addf73e3e1360d47495e79653c13ee2aa"></a>103 <a·id="addf73e3e1360d47495e79653c13ee2aa"·name="addf73e3e1360d47495e79653c13ee2aa"></a>
104 <h2·class="memtitle"><span·class="permalink"><a·href="#addf73e3e1360d47495e79653c13ee2aa">&#9670;&nbsp;</a></span>Datacontent()·<span·class="overload">[1/3]</span></h2>104 <h2·class="memtitle"><span·class="permalink"><a·href="#addf73e3e1360d47495e79653c13ee2aa">&#9670;&nbsp;</a></span>Datacontent()·<span·class="overload">[1/3]</span></h2>
  
105 <div·class="memitem">105 <div·class="memitem">
106 <div·class="memproto">106 <div·class="memproto">
107 ······<table·class="memname">107 ······<table·class="memname">
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184 ········<tr>184 ········<tr>
185 ··········<td·class="memname"><a·class="el"·href="../../d3/d83/a03854.html">Item</a>·BALL::CIFFile::Datacontent::dataitem</td>185 ··········<td·class="memname"><a·class="el"·href="../../d3/d83/a03854.html">Item</a>·BALL::CIFFile::Datacontent::dataitem</td>
186 ········</tr>186 ········</tr>
187 ······</table>187 ······</table>
188 </div><div·class="memdoc">188 </div><div·class="memdoc">
189 <p·>Stores·the·item·</p>189 <p·>Stores·the·item·</p>
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d89/a00071_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../d0/d89/a00071_source.html">CIFFile.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
  
191 </div>191 </div>
192 </div>192 </div>
193 <a·id="a97fb53e225fc1d8cbd88d8e64ccdefe5"·name="a97fb53e225fc1d8cbd88d8e64ccdefe5"></a>193 <a·id="a97fb53e225fc1d8cbd88d8e64ccdefe5"·name="a97fb53e225fc1d8cbd88d8e64ccdefe5"></a>
194 <h2·class="memtitle"><span·class="permalink"><a·href="#a97fb53e225fc1d8cbd88d8e64ccdefe5">&#9670;&nbsp;</a></span>is_saveframe</h2>194 <h2·class="memtitle"><span·class="permalink"><a·href="#a97fb53e225fc1d8cbd88d8e64ccdefe5">&#9670;&nbsp;</a></span>is_saveframe</h2>
  
195 <div·class="memitem">195 <div·class="memitem">
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201 ········<tr>201 ········<tr>
202 ··········<td·class="memname"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>·BALL::CIFFile::Datacontent::is_saveframe</td>202 ··········<td·class="memname"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>·BALL::CIFFile::Datacontent::is_saveframe</td>
203 ········</tr>203 ········</tr>
204 ······</table>204 ······</table>
205 </div><div·class="memdoc">205 </div><div·class="memdoc">
206 <p·>all·data·of·a·datablock·is·either·a·saveframe·or·a·single·item·</p>206 <p·>all·data·of·a·datablock·is·either·a·saveframe·or·a·single·item·</p>
  
207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d89/a00071_source.html#l00126">126</a>·of·file·<a·class="el"·href="../../d0/d89/a00071_source.html">CIFFile.h</a>.</p>207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00126">126</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
  
208 </div>208 </div>
209 </div>209 </div>
210 <a·id="a500582b9603088be88f4a34858c1ccac"·name="a500582b9603088be88f4a34858c1ccac"></a>210 <a·id="a500582b9603088be88f4a34858c1ccac"·name="a500582b9603088be88f4a34858c1ccac"></a>
211 <h2·class="memtitle"><span·class="permalink"><a·href="#a500582b9603088be88f4a34858c1ccac">&#9670;&nbsp;</a></span>saveframe</h2>211 <h2·class="memtitle"><span·class="permalink"><a·href="#a500582b9603088be88f4a34858c1ccac">&#9670;&nbsp;</a></span>saveframe</h2>
  
212 <div·class="memitem">212 <div·class="memitem">
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218 ········<tr>218 ········<tr>
219 ··········<td·class="memname"><a·class="el"·href="../../d0/d61/a03858.html">SaveFrame</a>·BALL::CIFFile::Datacontent::saveframe</td>219 ··········<td·class="memname"><a·class="el"·href="../../d0/d61/a03858.html">SaveFrame</a>·BALL::CIFFile::Datacontent::saveframe</td>
220 ········</tr>220 ········</tr>
221 ······</table>221 ······</table>
222 </div><div·class="memdoc">222 </div><div·class="memdoc">
223 <p·>Stores·the·saveframe·</p>223 <p·>Stores·the·saveframe·</p>
  
224 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d89/a00071_source.html#l00129">129</a>·of·file·<a·class="el"·href="../../d0/d89/a00071_source.html">CIFFile.h</a>.</p>224 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00129">129</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
  
225 </div>225 </div>
226 </div>226 </div>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_8cdbfb4bef7508ff4809ac8ed890f379.html">CHARMM</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">GAMESSDatFile.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">charmm.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d41/a00038_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d3/d8b/a00059_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/d17/a01937_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
76 </div>77 </div>
77 <p><a·href="../../dd/d32/a00041_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../dd/d32/a00041_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">79 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>81 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/df3/a03890.html">BALL::GAMESSDatFile</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d66/a05014.html">BALL::CharmmFF</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d94/a03894.html">BALL::GAMESSDatFile::block</a></td></tr>84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d10/a05018.html">BALL::CharmmFF::Option</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/ddf/a03898.html">BALL::GAMESSDatFile::State</a></td></tr>86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dab/a05022.html">BALL::CharmmFF::Default</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
89 Namespaces</h2></td></tr>90 Namespaces</h2></td></tr>
90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
 62 <div·id="nav-path"·class="navpath">
 63 ··<ul>
 64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
 65 </div>
62 </div><!--·top·-->66 </div><!--·top·-->
63 <div·class="header">67 <div·class="header">
 68 ··<div·class="summary">
 69 <a·href="#nested-classes">Classes</a>·&#124;
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64 ··<div·class="headertitle"><div·class="title">view.doc·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">assignBondOrderConfigurationDialog.h·File·Reference</div></div>
65 </div><!--header-->72 </div><!--header-->
66 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../de/df6/a01670_source.html">BALL/STRUCTURE/assignBondOrderProcessor.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;BALL/VIEW/UIC/ui_assignBondOrderConfigurationDialog.h&gt;</code><br·/>
 78 </div>
 79 <p><a·href="../../dd/d39/a01271_source.html">Go·to·the·source·code·of·this·file.</a></p>
 80 <table·class="memberdecls">
 81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
 82 Classes</h2></td></tr>
 83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d15/a07522.html">BALL::VIEW::AssignBondOrderConfigurationDialog</a></td></tr>
 84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 85 </table><table·class="memberdecls">
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 90 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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 92 </table>
67 </div><!--·contents·-->93 </div><!--·contents·-->
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d5/d41/a05803.html">List·of·all·members</a>··</div>70 <a·href="../../d5/d41/a05803.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::RelPositivePartialCharge·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::RelPositivePartialCharge·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d2/d3d/a01982_source.html">BALL/QSAR/partialChargeDescriptors.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../de/dd7/a00362_source.html">BALL/QSAR/partialChargeDescriptors.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::RelPositivePartialCharge:</div>76 Inheritance·diagram·for·BALL::RelPositivePartialCharge:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../dd/d3e/a05806.png"·usemap="#BALL::RelPositivePartialCharge_map"·alt=""/>79 ··<img·src="../../dd/d3e/a05806.png"·usemap="#BALL::RelPositivePartialCharge_map"·alt=""/>
80 ··<map·id="BALL::RelPositivePartialCharge_map"·name="BALL::RelPositivePartialCharge_map">80 ··<map·id="BALL::RelPositivePartialCharge_map"·name="BALL::RelPositivePartialCharge_map">
81 <area·href="../../d4/dc2/a05794.html"·alt="BALL::PartialChargeBase"·shape="rect"·coords="0,168,341,192"/>81 <area·href="../../d4/dc2/a05794.html"·alt="BALL::PartialChargeBase"·shape="rect"·coords="0,168,341,192"/>
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176 <tr·class="inherit_header·pro_attribs_a05794"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a05794')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d4/dc2/a05794.html">BALL::PartialChargeBase</a></td></tr>176 <tr·class="inherit_header·pro_attribs_a05794"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a05794')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d4/dc2/a05794.html">BALL::PartialChargeBase</a></td></tr>
177 <tr·class="memitem:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc2/a05794.html#a9f9a683d15b8d2e2aafddb9d0d31616c">data_folder_</a></td></tr>177 <tr·class="memitem:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc2/a05794.html#a9f9a683d15b8d2e2aafddb9d0d31616c">data_folder_</a></td></tr>
178 <tr·class="separator:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"><td·class="memSeparator"·colspan="2">&#160;</td></tr>178 <tr·class="separator:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
179 </table>179 </table>
180 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>180 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
181 <div·class="textblock"><p·>This·descriptor·returns·the·fraction·of·positive·partial·charges,·which·is·calculated·by·deviding·the·biggest·partial·charges·value·by·the·sum·of·positive·partial·charges.·</p>181 <div·class="textblock"><p·>This·descriptor·returns·the·fraction·of·positive·partial·charges,·which·is·calculated·by·deviding·the·biggest·partial·charges·value·by·the·sum·of·positive·partial·charges.·</p>
  
182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d3d/a01982_source.html#l00093">93</a>·of·file·<a·class="el"·href="../../d2/d3d/a01982_source.html">partialChargeDescriptors.h</a>.</p>182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dd7/a00362_source.html#l00093">93</a>·of·file·<a·class="el"·href="../../de/dd7/a00362_source.html">partialChargeDescriptors.h</a>.</p>
183 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>183 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
184 <a·id="a3c262895b40e4cbeb5d515740fbbed17"·name="a3c262895b40e4cbeb5d515740fbbed17"></a>184 <a·id="a3c262895b40e4cbeb5d515740fbbed17"·name="a3c262895b40e4cbeb5d515740fbbed17"></a>
185 <h2·class="memtitle"><span·class="permalink"><a·href="#a3c262895b40e4cbeb5d515740fbbed17">&#9670;&nbsp;</a></span>RelPositivePartialCharge()·<span·class="overload">[1/2]</span></h2>185 <h2·class="memtitle"><span·class="permalink"><a·href="#a3c262895b40e4cbeb5d515740fbbed17">&#9670;&nbsp;</a></span>RelPositivePartialCharge()·<span·class="overload">[1/2]</span></h2>
  
186 <div·class="memitem">186 <div·class="memitem">
187 <div·class="memproto">187 <div·class="memproto">
188 ······<table·class="memname">188 ······<table·class="memname">
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87 ········<tr>87 ········<tr>
88 ··········<td·class="memname">typedef·<a·class="el"·href="../../d5/daa/a04862.html">TLine3</a>&lt;<a·class="el"·href="../../de/ded/a09238.html">float</a>&gt;·<a·class="el"·href="../../df/de9/a02153.html#ga3777f89390952c2d8e760c1d84df8d5f">BALL::Line3</a></td>88 ··········<td·class="memname">typedef·<a·class="el"·href="../../d5/daa/a04862.html">TLine3</a>&lt;<a·class="el"·href="../../de/ded/a09238.html">float</a>&gt;·<a·class="el"·href="../../df/de9/a02153.html#ga3777f89390952c2d8e760c1d84df8d5f">BALL::Line3</a></td>
89 ········</tr>89 ········</tr>
90 ······</table>90 ······</table>
91 </div><div·class="memdoc">91 </div><div·class="memdoc">
92 <p·>Default·line·of·type·<b>float</b>.·</p>92 <p·>Default·line·of·type·<b>float</b>.·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d18/a01850_source.html#l00359">359</a>·of·file·<a·class="el"·href="../../da/d18/a01850_source.html">line3.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dc1/a00212_source.html#l00359">359</a>·of·file·<a·class="el"·href="../../dd/dc1/a00212_source.html">line3.h</a>.</p>
  
94 </div>94 </div>
95 </div>95 </div>
96 <h2·class="groupheader">Function·Documentation</h2>96 <h2·class="groupheader">Function·Documentation</h2>
97 <a·id="ga723eeb0a794fb25edf492bd37bf78243"·name="ga723eeb0a794fb25edf492bd37bf78243"></a>97 <a·id="ga723eeb0a794fb25edf492bd37bf78243"·name="ga723eeb0a794fb25edf492bd37bf78243"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#ga723eeb0a794fb25edf492bd37bf78243">&#9670;&nbsp;</a></span>operator&lt;&lt;()</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#ga723eeb0a794fb25edf492bd37bf78243">&#9670;&nbsp;</a></span>operator&lt;&lt;()</h2>
  
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126 <p·>Output·operator.·Writes·the·two·public·attributes·<code>d</code>·and·<code>p</code>·to·an·output·stream.·The·values·of·the·two·vectors·are·enclosed·in·brackets.·</p><dl·class="section·user"><dt></dt><dd><b>Example:</b>·</dd></dl>126 <p·>Output·operator.·Writes·the·two·public·attributes·<code>d</code>·and·<code>p</code>·to·an·output·stream.·The·values·of·the·two·vectors·are·enclosed·in·brackets.·</p><dl·class="section·user"><dt></dt><dd><b>Example:</b>·</dd></dl>
127 <dl·class="section·user"><dt></dt><dd><code>((0·0·0)·(1·2·1))</code>·</dd></dl>127 <dl·class="section·user"><dt></dt><dd><code>((0·0·0)·(1·2·1))</code>·</dd></dl>
128 <dl·class="section·see"><dt>See·also</dt><dd>TVector3::operator&lt;&lt;·</dd></dl>128 <dl·class="section·see"><dt>See·also</dt><dd>TVector3::operator&lt;&lt;·</dd></dl>
  
129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d18/a01850_source.html#l00382">382</a>·of·file·<a·class="el"·href="../../da/d18/a01850_source.html">line3.h</a>.</p>129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dc1/a00212_source.html#l00382">382</a>·of·file·<a·class="el"·href="../../dd/dc1/a00212_source.html">line3.h</a>.</p>
  
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133 <h2·class="memtitle"><span·class="permalink"><a·href="#gac5568e56795faccf490a92f96a120407">&#9670;&nbsp;</a></span>operator&gt;&gt;()</h2>133 <h2·class="memtitle"><span·class="permalink"><a·href="#gac5568e56795faccf490a92f96a120407">&#9670;&nbsp;</a></span>operator&gt;&gt;()</h2>
  
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161 <p·>Input·operator.·Reads·two·objcts·of·type·<b><a·class="el"·href="../../d6/d54/a04918.html">TVector3</a></b>·from·an·<code>istream</code>·and·assigns·them·to·<code>d</code>·and·<code>p</code>.·</p>161 <p·>Input·operator.·Reads·two·objcts·of·type·<b><a·class="el"·href="../../d6/d54/a04918.html">TVector3</a></b>·from·an·<code>istream</code>·and·assigns·them·to·<code>d</code>·and·<code>p</code>.·</p>
  
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66 </div><!--·top·-->66 </div><!--·top·-->
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71 ··<div·class="headertitle"><div·class="title">motionTrackingEvent.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">PTEDialog.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;QtCore/QEvent&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../d3/d53/a01262_source.html">BALL/VIEW/INPUT/deviceEvent.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
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 76 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>
78 </div>77 </div>
79 <p><a·href="../../dd/d42/a01259_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../dd/d42/a01259_source.html">Go·to·the·source·code·of·this·file.</a></p>
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d82/a01601_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
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75 <code>#include·&lt;<a·class="el"·href="../../db/d95/a01637_source.html">BALL/CONCEPT/property.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../de/d9d/a01382_source.html">BALL/VIEW/PRIMITIVES/mesh.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d5/d4c/a01058_source.html">BALL/VIEW/KERNEL/representation.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d8/d27/a01043_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>78 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
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77 </div>83 </div>
78 <p><a·href="../../dd/d43/a01193_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../dd/d43/a01193_source.html">Go·to·the·source·code·of·this·file.</a></p>
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69 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
70 <a·href="#func-members">Functions</a>··</div> 
71 ··<div·class="headertitle"><div·class="title">coulomb.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">UIOperationMode.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/>
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76 <p><a·href="../../dd/d48/a00995_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../dd/d48/a00995_source.html">Go·to·the·source·code·of·this·file.</a></p>
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84 Functions</h2></td></tr> 
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72 ··<div·class="headertitle"><div·class="title">BALL::MicroCanonicalMD::AuxFactors·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::MicroCanonicalMD::AuxFactors·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../df/d39/a00950_source.html">BALL/MOLMEC/MDSIMULATION/microCanonicalMD.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d25/a00182_source.html">BALL/MOLMEC/MDSIMULATION/microCanonicalMD.h</a>&gt;</code></p>
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85 <div·class="textblock"><p·>A·local·auxiliary·class.·</p>85 <div·class="textblock"><p·>A·local·auxiliary·class.·</p>
  
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99 </div>99 </div>
100 </div>100 </div>
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103 <div·class="memitem">103 <div·class="memitem">
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111 ······<table·class="memname">111 ······<table·class="memname">
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118 </div>118 </div>
119 </div>119 </div>
120 </div><!--·contents·-->120 </div><!--·contents·-->
121 <!--·start·footer·part·-->121 <!--·start·footer·part·-->
122 <hr·class="footer"/><address·class="footer"><small>122 <hr·class="footer"/><address·class="footer"><small>
123 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4123 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 ··<div·class="headertitle"><div·class="title">BALL::ReissCavFreeEnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ReissCavFreeEnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d2/d20/a01790_source.html">BALL/SOLVATION/reissCavFreeEnergyProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d18/a01925_source.html">BALL/SOLVATION/reissCavFreeEnergyProcessor.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::ReissCavFreeEnergyProcessor:</div>77 Inheritance·diagram·for·BALL::ReissCavFreeEnergyProcessor:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
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81 ··<map·id="BALL::ReissCavFreeEnergyProcessor_map"·name="BALL::ReissCavFreeEnergyProcessor_map">81 ··<map·id="BALL::ReissCavFreeEnergyProcessor_map"·name="BALL::ReissCavFreeEnergyProcessor_map">
82 <area·href="../../de/db6/a03826.html"·alt="BALL::EnergyProcessor"·shape="rect"·coords="0,112,341,136"/>82 <area·href="../../de/db6/a03826.html"·alt="BALL::EnergyProcessor"·shape="rect"·coords="0,112,341,136"/>
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169 </table>169 </table>
170 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>170 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
171 <div·class="textblock"><p·><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·the·computation·of·the·cavitation·free·energy.·This·processor·is·using·the·SPT·theory·approach·by·Reiss·et·al.,·J.·Chem.·Phys.·37(1):119-124,·1960·with·the·modification·for·non-spherical·solutes·by·Huron/Claverie,·J.·Phys.·Chem.·76(15):2123-2133,·1972.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>171 <div·class="textblock"><p·><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·the·computation·of·the·cavitation·free·energy.·This·processor·is·using·the·SPT·theory·approach·by·Reiss·et·al.,·J.·Chem.·Phys.·37(1):119-124,·1960·with·the·modification·for·non-spherical·solutes·by·Huron/Claverie,·J.·Phys.·Chem.·76(15):2123-2133,·1972.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
172 <p>Energies·are·returned·in·units·of·kJ/mol.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>172 <p>Energies·are·returned·in·units·of·kJ/mol.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>
  
173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d20/a01790_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d2/d20/a01790_source.html">reissCavFreeEnergyProcessor.h</a>.</p>173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d18/a01925_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d6/d18/a01925_source.html">reissCavFreeEnergyProcessor.h</a>.</p>
174 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>174 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
175 <a·id="ab721f79773300d653694c53ea9719233"·name="ab721f79773300d653694c53ea9719233"></a>175 <a·id="ab721f79773300d653694c53ea9719233"·name="ab721f79773300d653694c53ea9719233"></a>
176 <h2·class="memtitle"><span·class="permalink"><a·href="#ab721f79773300d653694c53ea9719233">&#9670;&nbsp;</a></span>ReissCavFreeEnergyProcessor()·<span·class="overload">[1/2]</span></h2>176 <h2·class="memtitle"><span·class="permalink"><a·href="#ab721f79773300d653694c53ea9719233">&#9670;&nbsp;</a></span>ReissCavFreeEnergyProcessor()·<span·class="overload">[1/2]</span></h2>
  
177 <div·class="memitem">177 <div·class="memitem">
178 <div·class="memproto">178 <div·class="memproto">
179 ······<table·class="memname">179 ······<table·class="memname">
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341 ········<tr>341 ········<tr>
342 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::ReissCavFreeEnergyProcessor::options</td>342 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::ReissCavFreeEnergyProcessor::options</td>
343 ········</tr>343 ········</tr>
344 ······</table>344 ······</table>
345 </div><div·class="memdoc">345 </div><div·class="memdoc">
346 <p·><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·for·the·calculation·of·the·caviation·free·energy·</p>346 <p·><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·for·the·calculation·of·the·caviation·free·energy·</p>
  
347 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d20/a01790_source.html#l00181">181</a>·of·file·<a·class="el"·href="../../d2/d20/a01790_source.html">reissCavFreeEnergyProcessor.h</a>.</p>347 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d18/a01925_source.html#l00181">181</a>·of·file·<a·class="el"·href="../../d6/d18/a01925_source.html">reissCavFreeEnergyProcessor.h</a>.</p>
  
348 </div>348 </div>
349 </div>349 </div>
350 </div><!--·contents·-->350 </div><!--·contents·-->
351 <!--·start·footer·part·-->351 <!--·start·footer·part·-->
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_bdf615705158bdb9ef48f1578bccfd92.html">PYTHON</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#define-members">Macros</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">protein.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">pyServer.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/dd3/a00428_source.html">BALL/KERNEL/chainIterator.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d5/db5/a00374_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>75 <code>#include·&lt;QtNetwork/QTcpServer&gt;</code><br·/>
 76 <code>#include·&lt;memory&gt;</code><br·/>
77 </div>77 </div>
78 <p><a·href="../../dd/d4e/a00329_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../dd/d4e/a00329_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">79 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>81 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dc0/a04602.html">BALL::Protein</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd0/a05590.html">BALL::PyServer</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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86 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls"> 
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
91 Macros</h2></td></tr> 
92 <tr·class="memitem:a49d348a764c8578933e3a61a1a6122b4"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d4e/a00329.html#a49d348a764c8578933e3a61a1a6122b4">BALL_PROTEIN_DEFAULT_ID</a>&#160;&#160;&#160;&quot;&quot;</td></tr> 
93 <tr·class="separator:a49d348a764c8578933e3a61a1a6122b4"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
94 </table>89 </table>
95 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
96 <a·id="a49d348a764c8578933e3a61a1a6122b4"·name="a49d348a764c8578933e3a61a1a6122b4"></a> 
97 <h2·class="memtitle"><span·class="permalink"><a·href="#a49d348a764c8578933e3a61a1a6122b4">&#9670;&nbsp;</a></span>BALL_PROTEIN_DEFAULT_ID</h2> 
  
98 <div·class="memitem"> 
99 <div·class="memproto"> 
100 ······<table·class="memname"> 
101 ········<tr> 
102 ··········<td·class="memname">#define·BALL_PROTEIN_DEFAULT_ID&#160;&#160;&#160;&quot;&quot;</td> 
103 ········</tr> 
104 ······</table> 
105 </div><div·class="memdoc"> 
  
106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d4e/a00329_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../dd/d4e/a00329_source.html">protein.h</a>.</p> 
  
107 </div> 
108 </div> 
109 </div><!--·contents·-->90 </div><!--·contents·-->
110 <!--·start·footer·part·-->91 <!--·start·footer·part·-->
111 <hr·class="footer"/><address·class="footer"><small>92 <hr·class="footer"/><address·class="footer"><small>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d1/de4/a06035.html">List·of·all·members</a>··</div>70 <a·href="../../d1/de4/a06035.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Statistics·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Statistics·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d5/d8b/a02060_source.html">BALL/QSAR/statistics.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../dd/d63/a00455_source.html">BALL/QSAR/statistics.h</a>&gt;</code></p>
75 <table·class="memberdecls">75 <table·class="memberdecls">
76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
77 Public·Member·Functions</h2></td></tr>77 Public·Member·Functions</h2></td></tr>
78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>
79 <tr·class="memitem:a899d569ff8e8ac6b44906f0abf0feb8d"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d4e/a06038.html#a899d569ff8e8ac6b44906f0abf0feb8d">Statistics</a>·()</td></tr>79 <tr·class="memitem:a899d569ff8e8ac6b44906f0abf0feb8d"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d4e/a06038.html#a899d569ff8e8ac6b44906f0abf0feb8d">Statistics</a>·()</td></tr>
80 <tr·class="separator:a899d569ff8e8ac6b44906f0abf0feb8d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a899d569ff8e8ac6b44906f0abf0feb8d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a73cec0d632ec99205858cb24df7b8f46"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d4e/a06038.html#a73cec0d632ec99205858cb24df7b8f46">~Statistics</a>·()</td></tr>81 <tr·class="memitem:a73cec0d632ec99205858cb24df7b8f46"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d4e/a06038.html#a73cec0d632ec99205858cb24df7b8f46">~Statistics</a>·()</td></tr>
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141 <tr·class="separator:a3054c8b2e2b10399610a844b54aef10f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>141 <tr·class="separator:a3054c8b2e2b10399610a844b54aef10f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
142 <tr·class="memitem:a189496d75d901d42f7f42e54d71d6b08"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d4e/a06038.html#a189496d75d901d42f7f42e54d71d6b08">scalarProduct</a>·(const·Eigen::VectorXd·&amp;cv)</td></tr>142 <tr·class="memitem:a189496d75d901d42f7f42e54d71d6b08"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d4e/a06038.html#a189496d75d901d42f7f42e54d71d6b08">scalarProduct</a>·(const·Eigen::VectorXd·&amp;cv)</td></tr>
143 <tr·class="separator:a189496d75d901d42f7f42e54d71d6b08"><td·class="memSeparator"·colspan="2">&#160;</td></tr>143 <tr·class="separator:a189496d75d901d42f7f42e54d71d6b08"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
144 </table>144 </table>
145 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>145 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
146 <div·class="textblock"><p·>class·for·statistical·correction·of·input-data·</p>146 <div·class="textblock"><p·>class·for·statistical·correction·of·input-data·</p>
  
147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8b/a02060_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d5/d8b/a02060_source.html">statistics.h</a>.</p>147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d63/a00455_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../dd/d63/a00455_source.html">statistics.h</a>.</p>
148 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>148 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
149 <a·id="a899d569ff8e8ac6b44906f0abf0feb8d"·name="a899d569ff8e8ac6b44906f0abf0feb8d"></a>149 <a·id="a899d569ff8e8ac6b44906f0abf0feb8d"·name="a899d569ff8e8ac6b44906f0abf0feb8d"></a>
150 <h2·class="memtitle"><span·class="permalink"><a·href="#a899d569ff8e8ac6b44906f0abf0feb8d">&#9670;&nbsp;</a></span>Statistics()</h2>150 <h2·class="memtitle"><span·class="permalink"><a·href="#a899d569ff8e8ac6b44906f0abf0feb8d">&#9670;&nbsp;</a></span>Statistics()</h2>
  
151 <div·class="memitem">151 <div·class="memitem">
152 <div·class="memproto">152 <div·class="memproto">
153 <table·class="mlabels">153 <table·class="mlabels">
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167 ··<td·class="mlabels-right">167 ··<td·class="mlabels-right">
168 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>168 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
169 ··</tr>169 ··</tr>
170 </table>170 </table>
171 </div><div·class="memdoc">171 </div><div·class="memdoc">
172 <p·>defaut·constructor·</p>172 <p·>defaut·constructor·</p>
  
173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8b/a02060_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d5/d8b/a02060_source.html">statistics.h</a>.</p>173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d63/a00455_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../dd/d63/a00455_source.html">statistics.h</a>.</p>
  
174 </div>174 </div>
175 </div>175 </div>
176 <a·id="a73cec0d632ec99205858cb24df7b8f46"·name="a73cec0d632ec99205858cb24df7b8f46"></a>176 <a·id="a73cec0d632ec99205858cb24df7b8f46"·name="a73cec0d632ec99205858cb24df7b8f46"></a>
177 <h2·class="memtitle"><span·class="permalink"><a·href="#a73cec0d632ec99205858cb24df7b8f46">&#9670;&nbsp;</a></span>~Statistics()</h2>177 <h2·class="memtitle"><span·class="permalink"><a·href="#a73cec0d632ec99205858cb24df7b8f46">&#9670;&nbsp;</a></span>~Statistics()</h2>
  
178 <div·class="memitem">178 <div·class="memitem">
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195 ··<td·class="mlabels-right">195 ··<td·class="mlabels-right">
196 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>196 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
197 ··</tr>197 ··</tr>
198 </table>198 </table>
199 </div><div·class="memdoc">199 </div><div·class="memdoc">
200 <p·>defaut·destructor·</p>200 <p·>defaut·destructor·</p>
  
201 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8b/a02060_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d5/d8b/a02060_source.html">statistics.h</a>.</p>201 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d63/a00455_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../dd/d63/a00455_source.html">statistics.h</a>.</p>
  
202 </div>202 </div>
203 </div>203 </div>
204 <h2·class="groupheader">Member·Function·Documentation</h2>204 <h2·class="groupheader">Member·Function·Documentation</h2>
205 <a·id="afa64408a3dd6512c360de50f5ffe2ab4"·name="afa64408a3dd6512c360de50f5ffe2ab4"></a>205 <a·id="afa64408a3dd6512c360de50f5ffe2ab4"·name="afa64408a3dd6512c360de50f5ffe2ab4"></a>
206 <h2·class="memtitle"><span·class="permalink"><a·href="#afa64408a3dd6512c360de50f5ffe2ab4">&#9670;&nbsp;</a></span>calculateRankCorrelation()</h2>206 <h2·class="memtitle"><span·class="permalink"><a·href="#afa64408a3dd6512c360de50f5ffe2ab4">&#9670;&nbsp;</a></span>calculateRankCorrelation()</h2>
  
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134 ··········<td>)</td>134 ··········<td>)</td>
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136 ········</tr>136 ········</tr>
137 ······</table>137 ······</table>
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139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d07/a01913_source.html#l00307">307</a>·of·file·<a·class="el"·href="../../d4/d07/a01913_source.html">graphAlgorithms.h</a>.</p>139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00307">307</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
  
140 </div>140 </div>
141 </div>141 </div>
142 <a·id="a0d8ab8b0562f5e24a41ca867aaf1961b"·name="a0d8ab8b0562f5e24a41ca867aaf1961b"></a>142 <a·id="a0d8ab8b0562f5e24a41ca867aaf1961b"·name="a0d8ab8b0562f5e24a41ca867aaf1961b"></a>
143 <h2·class="memtitle"><span·class="permalink"><a·href="#a0d8ab8b0562f5e24a41ca867aaf1961b">&#9670;&nbsp;</a></span>eliminateVertex()</h2>143 <h2·class="memtitle"><span·class="permalink"><a·href="#a0d8ab8b0562f5e24a41ca867aaf1961b">&#9670;&nbsp;</a></span>eliminateVertex()</h2>
  
144 <div·class="memitem">144 <div·class="memitem">
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168 ········</tr>168 ········</tr>
169 ······</table>169 ······</table>
170 </div><div·class="memdoc">170 </div><div·class="memdoc">
171 <p·>Eliminate·the·vertex·from·the·graph·and·fill·in·the·resulting·hole.</p>171 <p·>Eliminate·the·vertex·from·the·graph·and·fill·in·the·resulting·hole.</p>
172 <p·>This·function·first·builds·a·clique·of·the·neighbourhood·of·the·given·vertex·and·removes·it·afterwards·</p>172 <p·>This·function·first·builds·a·clique·of·the·neighbourhood·of·the·given·vertex·and·removes·it·afterwards·</p>
  
173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d07/a01913_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../d4/d07/a01913_source.html">graphAlgorithms.h</a>.</p>173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
  
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175 </div>175 </div>
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177 <h2·class="memtitle"><span·class="permalink"><a·href="#aa09d5ee0ef9ffd6c65aed47448f15d24">&#9670;&nbsp;</a></span>eliminateVertexUndoable()</h2>177 <h2·class="memtitle"><span·class="permalink"><a·href="#aa09d5ee0ef9ffd6c65aed47448f15d24">&#9670;&nbsp;</a></span>eliminateVertexUndoable()</h2>
  
178 <div·class="memitem">178 <div·class="memitem">
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207 ··<table·class="params">207 ··<table·class="params">
208 ····<tr><td·class="paramname">vertex</td><td>The·vertex·to·eliminate·</td></tr>208 ····<tr><td·class="paramname">vertex</td><td>The·vertex·to·eliminate·</td></tr>
209 ····<tr><td·class="paramname">graph</td><td>The·graph·containing·the·vertex·</td></tr>209 ····<tr><td·class="paramname">graph</td><td>The·graph·containing·the·vertex·</td></tr>
210 ··</table>210 ··</table>
211 ··</dd>211 ··</dd>
212 </dl>212 </dl>
  
213 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d07/a01913_source.html#l00174">174</a>·of·file·<a·class="el"·href="../../d4/d07/a01913_source.html">graphAlgorithms.h</a>.</p>213 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00174">174</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
  
214 </div>214 </div>
215 </div>215 </div>
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217 <h2·class="memtitle"><span·class="permalink"><a·href="#a745012f6549120c0cb3d88a1238f21a7">&#9670;&nbsp;</a></span>makeEditableEdgeCopier()</h2>217 <h2·class="memtitle"><span·class="permalink"><a·href="#a745012f6549120c0cb3d88a1238f21a7">&#9670;&nbsp;</a></span>makeEditableEdgeCopier()</h2>
  
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254 </div>254 </div>
255 </div>255 </div>
256 <a·id="a69c5a929b456abb639c8c1b6cab2b864"·name="a69c5a929b456abb639c8c1b6cab2b864"></a>256 <a·id="a69c5a929b456abb639c8c1b6cab2b864"·name="a69c5a929b456abb639c8c1b6cab2b864"></a>
257 <h2·class="memtitle"><span·class="permalink"><a·href="#a69c5a929b456abb639c8c1b6cab2b864">&#9670;&nbsp;</a></span>makeEditableVertexCopier()</h2>257 <h2·class="memtitle"><span·class="permalink"><a·href="#a69c5a929b456abb639c8c1b6cab2b864">&#9670;&nbsp;</a></span>makeEditableVertexCopier()</h2>
  
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295 </div>295 </div>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">aromaticRingStacking.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">cubicSpline2D.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d67/a01958_source.html">BALL/QSAR/aromaticityProcessor.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../d2/dea/a02057_source.html">BALL/QSAR/ringPerceptionProcessor.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;set&gt;</code><br·/>
 75 <code>#include·&lt;map&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d2/dc8/a00242_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d2/dc8/a00242_source.html">BALL/MATHS/cubicSpline1D.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
79 <code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/SCORING/COMPONENTS/CHPI.h</a>&gt;</code><br·/> 
80 </div>78 </div>
81 <p><a·href="../../dd/d52/a00221_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../dd/d52/a00221_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls">80 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
84 Classes</h2></td></tr>82 Classes</h2></td></tr>
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d12/a06198.html">BALL::AromaticRingStacking</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d4c/a04794.html">BALL::CubicSpline2D</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d7d/a06202.html">BALL::AromaticRingStacking::Option</a></td></tr> 
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d67/a06206.html">BALL::AromaticRingStacking::Default</a></td></tr> 
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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93 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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65 </div>65 </div>
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>69 <a·href="#namespaces">Namespaces</a>·&#124;
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71 ··<div·class="headertitle"><div·class="title">SCORING/COMPONENTS/solvation.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">QSAR/common.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;vector&gt;</code><br·/>
75 <code>#include·&lt;map&gt;</code><br·/>75 <code>#include·&lt;Eigen/Core&gt;</code><br·/>
 76 <code>#include·&lt;Eigen/StdVector&gt;</code><br·/>
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77 <p><a·href="../../dd/d59/a20371_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../dd/d59/a20371_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">79 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
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72 ··<div·class="headertitle"><div·class="title">BALL::NucleotideIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::NucleotideIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../da/dee/a00383_source.html">BALL/KERNEL/nucleotideIterator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dc/d25/a00596_source.html">BALL/KERNEL/nucleotideIterator.h</a>&gt;</code></p>
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79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../dd/d5b/a04562.png"·usemap="#BALL::NucleotideIteratorTraits_map"·alt=""/>80 ··<img·src="../../dd/d5b/a04562.png"·usemap="#BALL::NucleotideIteratorTraits_map"·alt=""/>
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82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,180,24"/>82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,180,24"/>
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186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
187 </table>187 </table>
188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
189 <div·class="textblock"><p·><a·class="el"·href="../../dd/d5b/a04562.html">NucleotideIteratorTraits</a>·</p>189 <div·class="textblock"><p·><a·class="el"·href="../../dd/d5b/a04562.html">NucleotideIteratorTraits</a>·</p>
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dee/a00383_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../da/dee/a00383_source.html">nucleotideIterator.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d25/a00596_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../dc/d25/a00596_source.html">nucleotideIterator.h</a>.</p>
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193 <h2·class="memtitle"><span·class="permalink"><a·href="#ada917d8dbe5fbcc3e4f8b73298a89b08">&#9670;&nbsp;</a></span>NucleotideIteratorTraits()·<span·class="overload">[1/3]</span></h2>193 <h2·class="memtitle"><span·class="permalink"><a·href="#ada917d8dbe5fbcc3e4f8b73298a89b08">&#9670;&nbsp;</a></span>NucleotideIteratorTraits()·<span·class="overload">[1/3]</span></h2>
  
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243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dee/a00383_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../da/dee/a00383_source.html">nucleotideIterator.h</a>.</p>243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d25/a00596_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../dc/d25/a00596_source.html">nucleotideIterator.h</a>.</p>
  
244 </div>244 </div>
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275 ··</td>275 ··</td>
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281 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dee/a00383_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../da/dee/a00383_source.html">nucleotideIterator.h</a>.</p>281 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d25/a00596_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../dc/d25/a00596_source.html">nucleotideIterator.h</a>.</p>
  
282 </div>282 </div>
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284 <h2·class="groupheader">Member·Function·Documentation</h2>284 <h2·class="groupheader">Member·Function·Documentation</h2>
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306 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>306 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
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310 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dee/a00383_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../da/dee/a00383_source.html">nucleotideIterator.h</a>.</p>310 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d25/a00596_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../dc/d25/a00596_source.html">nucleotideIterator.h</a>.</p>
  
311 </div>311 </div>
312 </div>312 </div>
313 <a·id="a180a62fde8a66b27a14fdc58314e9de9"·name="a180a62fde8a66b27a14fdc58314e9de9"></a>313 <a·id="a180a62fde8a66b27a14fdc58314e9de9"·name="a180a62fde8a66b27a14fdc58314e9de9"></a>
314 <h2·class="memtitle"><span·class="permalink"><a·href="#a180a62fde8a66b27a14fdc58314e9de9">&#9670;&nbsp;</a></span>resetPredicate()</h2>314 <h2·class="memtitle"><span·class="permalink"><a·href="#a180a62fde8a66b27a14fdc58314e9de9">&#9670;&nbsp;</a></span>resetPredicate()</h2>
  
315 <div·class="memitem">315 <div·class="memitem">
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331 ··</td>331 ··</td>
332 ··<td·class="mlabels-right">332 ··<td·class="mlabels-right">
333 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>333 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
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65 </div>65 </div>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">PTEDialog.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">fakeDriver.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/dd9/a01328_source.html">BALL/VIEW/INPUT/inputDeviceDriver.h</a>&gt;</code><br·/>
75 <code>#include·&lt;BALL/VIEW/UIC/ui_PTEDialog.h&gt;</code><br·/> 
76 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/> 
77 </div>75 </div>
78 <p><a·href="../../dd/d5d/a01325_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../dd/d5d/a01325_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">77 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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71 <a·href="../../d5/d66/a08295.html">List·of·all·members</a>··</div>71 <a·href="../../d5/d66/a08295.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·RTpieCpp::InstanceHandle·&gt;::conv·Union·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·RTpieCpp::InstanceHandle·&gt;::conv·Union·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d27/a01163_source.html">BALL/VIEW/RENDERING/RENDERERS/rtfactRenderer.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/d8b/a01469_source.html">BALL/VIEW/RENDERING/RENDERERS/rtfactRenderer.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
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78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:ac1bf7b9bc0b9ac38c575953b357cecaf"><td·class="memItemLeft"·align="right"·valign="top">size_t&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d5f/a08298.html#ac1bf7b9bc0b9ac38c575953b357cecaf">s</a></td></tr>79 <tr·class="memitem:ac1bf7b9bc0b9ac38c575953b357cecaf"><td·class="memItemLeft"·align="right"·valign="top">size_t&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d5f/a08298.html#ac1bf7b9bc0b9ac38c575953b357cecaf">s</a></td></tr>
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82 <tr·class="separator:a744700d415d3a627b0bef185ca1bbdb9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a744700d415d3a627b0bef185ca1bbdb9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock">85 <div·class="textblock">
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d27/a01163_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d6/d27/a01163_source.html">rtfactRenderer.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d8b/a01469_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d9/d8b/a01469_source.html">rtfactRenderer.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
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89 <h2·class="memtitle"><span·class="permalink"><a·href="#a744700d415d3a627b0bef185ca1bbdb9">&#9670;&nbsp;</a></span>p</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#a744700d415d3a627b0bef185ca1bbdb9">&#9670;&nbsp;</a></span>p</h2>
  
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92 ······<table·class="memname">92 ······<table·class="memname">
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94 ··········<td·class="memname">const·void*·boost::hash&lt;·RTpieCpp::InstanceHandle·&gt;::conv::p</td>94 ··········<td·class="memname">const·void*·boost::hash&lt;·RTpieCpp::InstanceHandle·&gt;::conv::p</td>
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99 </div>99 </div>
100 </div>100 </div>
101 <a·id="ac1bf7b9bc0b9ac38c575953b357cecaf"·name="ac1bf7b9bc0b9ac38c575953b357cecaf"></a>101 <a·id="ac1bf7b9bc0b9ac38c575953b357cecaf"·name="ac1bf7b9bc0b9ac38c575953b357cecaf"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#ac1bf7b9bc0b9ac38c575953b357cecaf">&#9670;&nbsp;</a></span>s</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#ac1bf7b9bc0b9ac38c575953b357cecaf">&#9670;&nbsp;</a></span>s</h2>
  
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115 </div><div·class="memdoc">115 </div><div·class="memdoc">
  
116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d27/a01163_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d6/d27/a01163_source.html">rtfactRenderer.h</a>.</p>116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d8b/a01469_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d9/d8b/a01469_source.html">rtfactRenderer.h</a>.</p>
  
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122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d1/d89/a04875.html">List·of·all·members</a>··</div>70 <a·href="../../d1/d89/a04875.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::PiecewiseFunction·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::PiecewiseFunction·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d6/dfc/a01814_source.html">BALL/MATHS/piecewiseFunction.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d1/da8/a00230_source.html">BALL/MATHS/piecewiseFunction.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::PiecewiseFunction:</div>76 Inheritance·diagram·for·BALL::PiecewiseFunction:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../dd/d60/a04878.png"·usemap="#BALL::PiecewiseFunction_map"·alt=""/>79 ··<img·src="../../dd/d60/a04878.png"·usemap="#BALL::PiecewiseFunction_map"·alt=""/>
80 ··<map·id="BALL::PiecewiseFunction_map"·name="BALL::PiecewiseFunction_map">80 ··<map·id="BALL::PiecewiseFunction_map"·name="BALL::PiecewiseFunction_map">
81 <area·href="../../d9/dd0/a04882.html"·alt="BALL::PiecewisePolynomial"·shape="rect"·coords="0,56,167,80"/>81 <area·href="../../d9/dd0/a04882.html"·alt="BALL::PiecewisePolynomial"·shape="rect"·coords="0,56,167,80"/>
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143 <tr·class="separator:ad3338c186c44db9222b8fb23cd852124"><td·class="memSeparator"·colspan="2">&#160;</td></tr>143 <tr·class="separator:ad3338c186c44db9222b8fb23cd852124"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
144 </table>144 </table>
145 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>145 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
146 <div·class="textblock"><p·>Piecewise·function·object.·This·class·provides·the·interface·for·piecewise·functions·needed·as·representation·of·radial·distribution·functions·(</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../dc/dfc/a07026.html">RadialDistributionFunction</a>).·It·implements·the·<code>Function</code>·interface.·</dd></dl>146 <div·class="textblock"><p·>Piecewise·function·object.·This·class·provides·the·interface·for·piecewise·functions·needed·as·representation·of·radial·distribution·functions·(</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../dc/dfc/a07026.html">RadialDistributionFunction</a>).·It·implements·the·<code>Function</code>·interface.·</dd></dl>
147 <dl·class="section·user"><dt></dt><dd>Note·that·intervals·<b>·must·</b>·be·disjunct·and·interval·limits·have·to·meet.·We·require·the·intervals·to·be·sorted·such·that·the·lowest·interval·limit·is·the·first·interval·of·the·vector.·</dd></dl>147 <dl·class="section·user"><dt></dt><dd>Note·that·intervals·<b>·must·</b>·be·disjunct·and·interval·limits·have·to·meet.·We·require·the·intervals·to·be·sorted·such·that·the·lowest·interval·limit·is·the·first·interval·of·the·vector.·</dd></dl>
148 <dl·class="section·user"><dt></dt><dd></dd></dl>148 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
149 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfc/a01814_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d6/dfc/a01814_source.html">piecewiseFunction.h</a>.</p>149 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/da8/a00230_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d1/da8/a00230_source.html">piecewiseFunction.h</a>.</p>
150 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>150 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
151 <a·id="a6916912e40e75f44a3aaca19da516593"·name="a6916912e40e75f44a3aaca19da516593"></a>151 <a·id="a6916912e40e75f44a3aaca19da516593"·name="a6916912e40e75f44a3aaca19da516593"></a>
152 <h2·class="memtitle"><span·class="permalink"><a·href="#a6916912e40e75f44a3aaca19da516593">&#9670;&nbsp;</a></span>PiecewiseFunction()·<span·class="overload">[1/3]</span></h2>152 <h2·class="memtitle"><span·class="permalink"><a·href="#a6916912e40e75f44a3aaca19da516593">&#9670;&nbsp;</a></span>PiecewiseFunction()·<span·class="overload">[1/3]</span></h2>
  
153 <div·class="memitem">153 <div·class="memitem">
154 <div·class="memproto">154 <div·class="memproto">
155 ······<table·class="memname">155 ······<table·class="memname">
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667 ··</td>667 ··</td>
668 ··<td·class="mlabels-right">668 ··<td·class="mlabels-right">
669 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>669 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
670 ··</tr>670 ··</tr>
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673 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfc/a01814_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../d6/dfc/a01814_source.html">piecewiseFunction.h</a>.</p>673 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/da8/a00230_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../d1/da8/a00230_source.html">piecewiseFunction.h</a>.</p>
  
674 </div>674 </div>
675 </div>675 </div>
676 <a·id="a3a81b00ae8934ad1565c839f19f042d9"·name="a3a81b00ae8934ad1565c839f19f042d9"></a>676 <a·id="a3a81b00ae8934ad1565c839f19f042d9"·name="a3a81b00ae8934ad1565c839f19f042d9"></a>
677 <h2·class="memtitle"><span·class="permalink"><a·href="#a3a81b00ae8934ad1565c839f19f042d9">&#9670;&nbsp;</a></span>intervals_</h2>677 <h2·class="memtitle"><span·class="permalink"><a·href="#a3a81b00ae8934ad1565c839f19f042d9">&#9670;&nbsp;</a></span>intervals_</h2>
  
678 <div·class="memitem">678 <div·class="memitem">
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691 ··</td>691 ··</td>
692 ··<td·class="mlabels-right">692 ··<td·class="mlabels-right">
693 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>693 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
694 ··</tr>694 ··</tr>
695 </table>695 </table>
696 </div><div·class="memdoc">696 </div><div·class="memdoc">
  
697 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfc/a01814_source.html#l00167">167</a>·of·file·<a·class="el"·href="../../d6/dfc/a01814_source.html">piecewiseFunction.h</a>.</p>697 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/da8/a00230_source.html#l00167">167</a>·of·file·<a·class="el"·href="../../d1/da8/a00230_source.html">piecewiseFunction.h</a>.</p>
  
698 </div>698 </div>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">shiftModel1D.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">statistics.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d9d/a00464_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;vector&gt;</code><br·/>
 75 <code>#include·&lt;iostream&gt;</code><br·/>
 76 <code>#include·&lt;cmath&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d5f/a00461_source.html">BALL/NMR/spectrum.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d7/d03/a00254_source.html">BALL/MATHS/parsedFunction.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;set&gt;</code><br·/>
 79 <code>#include·&lt;Eigen/Core&gt;</code><br·/>
76 </div>80 </div>
77 <p><a·href="../../dd/d63/a00455_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../dd/d63/a00455_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">82 <table·class="memberdecls">
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72 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·BALL::SortedPosition3·&gt;·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·BALL::SortedPosition3·&gt;·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d0a/a00602_source.html">BALL/STRUCTURE/reducedSurface.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/STRUCTURE/reducedSurface.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
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71 <a·href="../../d1/d30/a04639.html">List·of·all·members</a>··</div>71 <a·href="../../d1/d30/a04639.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::TruePredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TruePredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::TruePredicate:</div>77 Inheritance·diagram·for·BALL::TruePredicate:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../dd/d6a/a04642.png"·usemap="#BALL::TruePredicate_map"·alt=""/>80 ··<img·src="../../dd/d6a/a04642.png"·usemap="#BALL::TruePredicate_map"·alt=""/>
81 ··<map·id="BALL::TruePredicate_map"·name="BALL::TruePredicate_map">81 ··<map·id="BALL::TruePredicate_map"·name="BALL::TruePredicate_map">
82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
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120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Default·predicate.·This·predicate·may·be·used·to·implement·default·rules.·It·is·always·<b>true</b>.·</p>122 <div·class="textblock"><p·>Default·predicate.·This·predicate·may·be·used·to·implement·default·rules.·It·is·always·<b>true</b>.·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
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72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordENDMDL·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordENDMDL·Struct·Reference</div></div>
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75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
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69 ··<div·class="summary">69 ··<div·class="summary">
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71 <a·href="../../d5/d7d/a06303.html">List·of·all·members</a>··</div>71 <a·href="../../d5/d7d/a06303.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Lipophilic::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Lipophilic::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../de/df3/a00185_source.html">BALL/SCORING/COMPONENTS/lipophilic.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d8b/a02060_source.html">BALL/SCORING/COMPONENTS/lipophilic.h</a>&gt;</code></p>
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80 <tr·class="separator:a7f9cf362d34387d698bd2cab7db83539"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a7f9cf362d34387d698bd2cab7db83539"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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82 <tr·class="separator:a6613029ee35bfe1aa53c0fbea7c00f00"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a6613029ee35bfe1aa53c0fbea7c00f00"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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90 <div·class="textblock"><p·><a·class="el"·href="../../dd/d71/a06306.html">Option</a>·names·</p>90 <div·class="textblock"><p·><a·class="el"·href="../../dd/d71/a06306.html">Option</a>·names·</p>
  
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114 </div>114 </div>
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162 </div>162 </div>
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165 <h2·class="memtitle"><span·class="permalink"><a·href="#ac762a2711e91a757b537b7fec34c8249">&#9670;&nbsp;</a></span>VERBOSITY</h2>165 <h2·class="memtitle"><span·class="permalink"><a·href="#ac762a2711e91a757b537b7fec34c8249">&#9670;&nbsp;</a></span>VERBOSITY</h2>
  
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179 ··</td>179 ··</td>
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185 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/df3/a00185_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../de/df3/a00185_source.html">lipophilic.h</a>.</p>185 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8b/a02060_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d5/d8b/a02060_source.html">lipophilic.h</a>.</p>
  
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187 </div>187 </div>
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190 <hr·class="footer"/><address·class="footer"><small>190 <hr·class="footer"/><address·class="footer"><small>
191 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4191 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
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76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RaytraceableGridController·Class·Reference</div></div>76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RaytraceableGridController·Class·Reference</div></div>
77 </div><!--header-->77 </div><!--header-->
78 <div·class="contents">78 <div·class="contents">
  
79 <p><code>#include·&lt;<a·class="el"·href="../../dc/d47/a01487_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code></p>79 <p><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code></p>
80 <div·class="dynheader">80 <div·class="dynheader">
81 Inheritance·diagram·for·BALL::VIEW::RaytraceableGridController:</div>81 Inheritance·diagram·for·BALL::VIEW::RaytraceableGridController:</div>
82 <div·class="dyncontent">82 <div·class="dyncontent">
83 ·<div·class="center">83 ·<div·class="center">
84 ··<img·src="../../dd/d73/a07506.png"·usemap="#BALL::VIEW::RaytraceableGridController_map"·alt=""/>84 ··<img·src="../../dd/d73/a07506.png"·usemap="#BALL::VIEW::RaytraceableGridController_map"·alt=""/>
85 ··<map·id="BALL::VIEW::RaytraceableGridController_map"·name="BALL::VIEW::RaytraceableGridController_map">85 ··<map·id="BALL::VIEW::RaytraceableGridController_map"·name="BALL::VIEW::RaytraceableGridController_map">
86 <area·href="../../de/dbd/a07482.html"·alt="BALL::VIEW::DatasetController"·shape="rect"·coords="125,56,366,80"/>86 <area·href="../../de/dbd/a07482.html"·alt="BALL::VIEW::DatasetController"·shape="rect"·coords="125,56,366,80"/>
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248 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>248 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>
249 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>249 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
250 </table>250 </table>
251 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>251 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
252 <div·class="textblock"><p·>Controller·class·for·<a·class="el"·href="../../d4/dd9/a07486.html">RaytraceableGrid</a>·</p>252 <div·class="textblock"><p·>Controller·class·for·<a·class="el"·href="../../d4/dd9/a07486.html">RaytraceableGrid</a>·</p>
  
253 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d47/a01487_source.html#l00310">310</a>·of·file·<a·class="el"·href="../../dc/d47/a01487_source.html">standardDatasets.h</a>.</p>253 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00310">310</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
254 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>254 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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256 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b4a90dcbbab0b12f8882b47441e5d2f">&#9670;&nbsp;</a></span>RaytraceableGridController()·<span·class="overload">[1/2]</span></h2>256 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b4a90dcbbab0b12f8882b47441e5d2f">&#9670;&nbsp;</a></span>RaytraceableGridController()·<span·class="overload">[1/2]</span></h2>
  
257 <div·class="memitem">257 <div·class="memitem">
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504 ··</td>504 ··</td>
505 ··<td·class="mlabels-right">505 ··<td·class="mlabels-right">
506 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>506 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
507 ··</tr>507 ··</tr>
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510 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d47/a01487_source.html#l00351">351</a>·of·file·<a·class="el"·href="../../dc/d47/a01487_source.html">standardDatasets.h</a>.</p>510 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00351">351</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
  
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513 <a·id="a813f275532348e8a6dc990025a896f18"·name="a813f275532348e8a6dc990025a896f18"></a>513 <a·id="a813f275532348e8a6dc990025a896f18"·name="a813f275532348e8a6dc990025a896f18"></a>
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528 ··</td>528 ··</td>
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530 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>530 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
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534 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d47/a01487_source.html#l00340">340</a>·of·file·<a·class="el"·href="../../dc/d47/a01487_source.html">standardDatasets.h</a>.</p>534 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00340">340</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
  
535 </div>535 </div>
536 </div>536 </div>
537 </div><!--·contents·-->537 </div><!--·contents·-->
538 <!--·start·footer·part·-->538 <!--·start·footer·part·-->
539 <hr·class="footer"/><address·class="footer"><small>539 <hr·class="footer"/><address·class="footer"><small>
540 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4540 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="../../d0/d17/a07763.html">List·of·all·members</a>··</div>72 <a·href="../../d0/d17/a07763.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::InputDeviceDriver·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::InputDeviceDriver·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../dd/d95/a01247_source.html">BALL/VIEW/INPUT/inputDeviceDriver.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dc/dd9/a01328_source.html">BALL/VIEW/INPUT/inputDeviceDriver.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::InputDeviceDriver:</div>78 Inheritance·diagram·for·BALL::VIEW::InputDeviceDriver:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../dd/d73/a07766.png"·usemap="#BALL::VIEW::InputDeviceDriver_map"·alt=""/>81 ··<img·src="../../dd/d73/a07766.png"·usemap="#BALL::VIEW::InputDeviceDriver_map"·alt=""/>
82 ··<map·id="BALL::VIEW::InputDeviceDriver_map"·name="BALL::VIEW::InputDeviceDriver_map">82 ··<map·id="BALL::VIEW::InputDeviceDriver_map"·name="BALL::VIEW::InputDeviceDriver_map">
83 <area·href="../../de/dec/a07758.html"·alt="BALL::VIEW::FakeDriver"·shape="rect"·coords="0,56,189,80"/>83 <area·href="../../de/dec/a07758.html"·alt="BALL::VIEW::FakeDriver"·shape="rect"·coords="0,56,189,80"/>
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111 <tr·class="memitem:af133896f2a3c8e9e6755ef05fbb158e6"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d73/a07766.html#af133896f2a3c8e9e6755ef05fbb158e6">emitPositionChange</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·x,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·y,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·z,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q2,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q3,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q4)</td></tr>111 <tr·class="memitem:af133896f2a3c8e9e6755ef05fbb158e6"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d73/a07766.html#af133896f2a3c8e9e6755ef05fbb158e6">emitPositionChange</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·x,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·y,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·z,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q2,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q3,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q4)</td></tr>
112 <tr·class="separator:af133896f2a3c8e9e6755ef05fbb158e6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>112 <tr·class="separator:af133896f2a3c8e9e6755ef05fbb158e6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
113 <tr·class="memitem:abcea77f61e39d1f3003618e35822bc45"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d73/a07766.html#abcea77f61e39d1f3003618e35822bc45">emitHeadChange</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·x,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·y,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·z,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q2,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q3,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q4)</td></tr>113 <tr·class="memitem:abcea77f61e39d1f3003618e35822bc45"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d73/a07766.html#abcea77f61e39d1f3003618e35822bc45">emitHeadChange</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·x,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·y,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·z,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q2,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q3,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q4)</td></tr>
114 <tr·class="separator:abcea77f61e39d1f3003618e35822bc45"><td·class="memSeparator"·colspan="2">&#160;</td></tr>114 <tr·class="separator:abcea77f61e39d1f3003618e35822bc45"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
115 </table>115 </table>
116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
117 <div·class="textblock">117 <div·class="textblock">
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d95/a01247_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../dd/d95/a01247_source.html">inputDeviceDriver.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dd9/a01328_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../dc/dd9/a01328_source.html">inputDeviceDriver.h</a>.</p>
119 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>119 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
120 <a·id="a778df2541b2327c99157ecebeaf4f0a7"·name="a778df2541b2327c99157ecebeaf4f0a7"></a>120 <a·id="a778df2541b2327c99157ecebeaf4f0a7"·name="a778df2541b2327c99157ecebeaf4f0a7"></a>
121 <h2·class="memtitle"><span·class="permalink"><a·href="#a778df2541b2327c99157ecebeaf4f0a7">&#9670;&nbsp;</a></span>InputDeviceDriver()</h2>121 <h2·class="memtitle"><span·class="permalink"><a·href="#a778df2541b2327c99157ecebeaf4f0a7">&#9670;&nbsp;</a></span>InputDeviceDriver()</h2>
  
122 <div·class="memitem">122 <div·class="memitem">
123 <div·class="memproto">123 <div·class="memproto">
124 ······<table·class="memname">124 ······<table·class="memname">
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389 ··</td>389 ··</td>
390 ··<td·class="mlabels-right">390 ··<td·class="mlabels-right">
391 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>391 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
392 ··</tr>392 ··</tr>
393 </table>393 </table>
394 </div><div·class="memdoc">394 </div><div·class="memdoc">
  
395 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d95/a01247_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../dd/d95/a01247_source.html">inputDeviceDriver.h</a>.</p>395 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dd9/a01328_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../dc/dd9/a01328_source.html">inputDeviceDriver.h</a>.</p>
  
396 </div>396 </div>
397 </div>397 </div>
398 <a·id="a6010612de3b241c39c77f6bc649c332b"·name="a6010612de3b241c39c77f6bc649c332b"></a>398 <a·id="a6010612de3b241c39c77f6bc649c332b"·name="a6010612de3b241c39c77f6bc649c332b"></a>
399 <h2·class="memtitle"><span·class="permalink"><a·href="#a6010612de3b241c39c77f6bc649c332b">&#9670;&nbsp;</a></span>setEnabled()</h2>399 <h2·class="memtitle"><span·class="permalink"><a·href="#a6010612de3b241c39c77f6bc649c332b">&#9670;&nbsp;</a></span>setEnabled()</h2>
  
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64 ··<ul>64 ··<ul>
65 <li·class="navelem"><a·class="el"·href="../../dir_b2f33c71d4aa5e7af42a1ca61ff5af1b.html">source</a></li><li·class="navelem"><a·class="el"·href="../../dir_019c4e46fcb890c787c66301a26551fc.html">APPLICATIONS</a></li><li·class="navelem"><a·class="el"·href="../../dir_caeb21bac24e0bfbd8589dcedcedfe92.html">BALLVIEW</a></li>··</ul>65 <li·class="navelem"><a·class="el"·href="../../dir_b2f33c71d4aa5e7af42a1ca61ff5af1b.html">source</a></li><li·class="navelem"><a·class="el"·href="../../dir_019c4e46fcb890c787c66301a26551fc.html">APPLICATIONS</a></li><li·class="navelem"><a·class="el"·href="../../dir_caeb21bac24e0bfbd8589dcedcedfe92.html">BALLVIEW</a></li>··</ul>
66 </div>66 </div>
67 </div><!--·top·-->67 </div><!--·top·-->
68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#var-members">Variables</a>··</div>70 <a·href="#var-members">Variables</a>··</div>
71 ··<div·class="headertitle"><div·class="title">icons.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">icons.C·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><a·href="../../dd/d77/a02096_source.html">Go·to·the·source·code·of·this·file.</a></p>74 <p><a·href="../../dd/d77/a02096_source.html">Go·to·the·source·code·of·this·file.</a></p>
75 <table·class="memberdecls">75 <table·class="memberdecls">
76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="var-members"·name="var-members"></a>76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="var-members"·name="var-members"></a>
77 Variables</h2></td></tr>77 Variables</h2></td></tr>
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81 </table>81 </table>
82 <h2·class="groupheader">Variable·Documentation</h2>82 <h2·class="groupheader">Variable·Documentation</h2>
83 <a·id="abb264087174fbf8cd5e8af88cd48fd41"·name="abb264087174fbf8cd5e8af88cd48fd41"></a>83 <a·id="abb264087174fbf8cd5e8af88cd48fd41"·name="abb264087174fbf8cd5e8af88cd48fd41"></a>
84 <h2·class="memtitle"><span·class="permalink"><a·href="#abb264087174fbf8cd5e8af88cd48fd41">&#9670;&nbsp;</a></span>bucky_64x64_xpm</h2>84 <h2·class="memtitle"><span·class="permalink"><a·href="#abb264087174fbf8cd5e8af88cd48fd41">&#9670;&nbsp;</a></span>bucky_64x64_xpm</h2>
  
85 <div·class="memitem">85 <div·class="memitem">
86 <div·class="memproto">86 <div·class="memproto">
87 <table·class="mlabels"> 
88 ··<tr> 
89 ··<td·class="mlabels-left"> 
90 ······<table·class="memname">87 ······<table·class="memname">
91 ········<tr>88 ········<tr>
92 ··········<td·class="memname">const·char*·bucky_64x64_xpm[]</td>89 ··········<td·class="memname">const·char*·bucky_64x64_xpm[]</td>
93 ········</tr>90 ········</tr>
94 ······</table>91 ······</table>
95 ··</td> 
96 ··<td·class="mlabels-right"> 
97 <span·class="mlabels"><span·class="mlabel">extern</span></span>··</td> 
98 ··</tr> 
99 </table> 
100 </div><div·class="memdoc">92 </div><div·class="memdoc">
  
101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7a/a02105_source.html#l00009">9</a>·of·file·<a·class="el"·href="../../db/d7a/a02105_source.html">icons.C</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d77/a02096_source.html#l00009">9</a>·of·file·<a·class="el"·href="../../dd/d77/a02096_source.html">icons.C</a>.</p>
  
102 </div>94 </div>
103 </div>95 </div>
104 </div><!--·contents·-->96 </div><!--·contents·-->
105 <!--·start·footer·part·-->97 <!--·start·footer·part·-->
106 <hr·class="footer"/><address·class="footer"><small>98 <hr·class="footer"/><address·class="footer"><small>
107 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.499 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d5/d04/a03303.html">List·of·all·members</a>··</div>70 <a·href="../../d5/d04/a03303.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::ObjectCreator·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::ObjectCreator·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d6/d82/a01607_source.html">BALL/CONCEPT/objectCreator.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d7/d49/a00863_source.html">BALL/CONCEPT/objectCreator.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::ObjectCreator:</div>76 Inheritance·diagram·for·BALL::ObjectCreator:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../dd/d7a/a03306.png"·usemap="#BALL::ObjectCreator_map"·alt=""/>79 ··<img·src="../../dd/d7a/a03306.png"·usemap="#BALL::ObjectCreator_map"·alt=""/>
80 ··<map·id="BALL::ObjectCreator_map"·name="BALL::ObjectCreator_map">80 ··<map·id="BALL::ObjectCreator_map"·name="BALL::ObjectCreator_map">
81 <area·href="../../d6/d90/a03298.html"·alt="BALL::MoleculeObjectCreator"·shape="rect"·coords="0,56,181,80"/>81 <area·href="../../d6/d90/a03298.html"·alt="BALL::MoleculeObjectCreator"·shape="rect"·coords="0,56,181,80"/>
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102 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Operators</h2></td></tr>102 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Operators</h2></td></tr>
103 <tr·class="memitem:a510f3b1b04441cd9b9cedfb7a0ea3664"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d7a/a03306.html#a510f3b1b04441cd9b9cedfb7a0ea3664">operator()</a>·(<a·class="el"·href="../../d6/d49/a07398.html">TCPIOStream</a>·&amp;tcp_iostream)</td></tr>103 <tr·class="memitem:a510f3b1b04441cd9b9cedfb7a0ea3664"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d7a/a03306.html#a510f3b1b04441cd9b9cedfb7a0ea3664">operator()</a>·(<a·class="el"·href="../../d6/d49/a07398.html">TCPIOStream</a>·&amp;tcp_iostream)</td></tr>
104 <tr·class="separator:a510f3b1b04441cd9b9cedfb7a0ea3664"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:a510f3b1b04441cd9b9cedfb7a0ea3664"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 </table>105 </table>
106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
107 <div·class="textblock"><p·><a·class="el"·href="../../dd/d7a/a03306.html">ObjectCreator</a>·class.·The·class·<a·class="el"·href="../../dd/d7a/a03306.html">ObjectCreator</a>·is·a·base·class·for·converting·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·objects·into·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·It·defines·methods·for·initialization·and·conversion·that·must·be·overriden·by·the·derived·class.·This·class·is·used·by·the·class·Server·to·convert·incoming·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·objects·to·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·</p>107 <div·class="textblock"><p·><a·class="el"·href="../../dd/d7a/a03306.html">ObjectCreator</a>·class.·The·class·<a·class="el"·href="../../dd/d7a/a03306.html">ObjectCreator</a>·is·a·base·class·for·converting·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·objects·into·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·It·defines·methods·for·initialization·and·conversion·that·must·be·overriden·by·the·derived·class.·This·class·is·used·by·the·class·Server·to·convert·incoming·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·objects·to·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·</p>
  
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d82/a01607_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d6/d82/a01607_source.html">objectCreator.h</a>.</p>108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d49/a00863_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d7/d49/a00863_source.html">objectCreator.h</a>.</p>
109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
110 <a·id="a31d3e54eb27ef1e9df40f77009f8f5c3"·name="a31d3e54eb27ef1e9df40f77009f8f5c3"></a>110 <a·id="a31d3e54eb27ef1e9df40f77009f8f5c3"·name="a31d3e54eb27ef1e9df40f77009f8f5c3"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#a31d3e54eb27ef1e9df40f77009f8f5c3">&#9670;&nbsp;</a></span>ObjectCreator()</h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#a31d3e54eb27ef1e9df40f77009f8f5c3">&#9670;&nbsp;</a></span>ObjectCreator()</h2>
  
112 <div·class="memitem">112 <div·class="memitem">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../df/d5a/a05423.html">List·of·all·members</a>··</div>71 <a·href="../../df/d5a/a05423.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::QuadraticBondStretch::Data·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QuadraticBondStretch::Data·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d0/dad/a00806_source.html">BALL/MOLMEC/PARAMETER/quadraticBondStretch.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d9a/a00152_source.html">BALL/MOLMEC/PARAMETER/quadraticBondStretch.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a99524736bfd265b67f4ac701f1c49351"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d7a/a05426.html#a99524736bfd265b67f4ac701f1c49351">atom1</a></td></tr>79 <tr·class="memitem:a99524736bfd265b67f4ac701f1c49351"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d7a/a05426.html#a99524736bfd265b67f4ac701f1c49351">atom1</a></td></tr>
80 <tr·class="separator:a99524736bfd265b67f4ac701f1c49351"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a99524736bfd265b67f4ac701f1c49351"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:ad724e78cf813b0212700ebbaf4a3d07e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d7a/a05426.html#ad724e78cf813b0212700ebbaf4a3d07e">atom2</a></td></tr>81 <tr·class="memitem:ad724e78cf813b0212700ebbaf4a3d07e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d7a/a05426.html#ad724e78cf813b0212700ebbaf4a3d07e">atom2</a></td></tr>
82 <tr·class="separator:ad724e78cf813b0212700ebbaf4a3d07e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:ad724e78cf813b0212700ebbaf4a3d07e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a2a4801b465902039b3344013fdd17bfc"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/d27/a05422.html">Values</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d7a/a05426.html#a2a4801b465902039b3344013fdd17bfc">values</a></td></tr>83 <tr·class="memitem:a2a4801b465902039b3344013fdd17bfc"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/d27/a05422.html">Values</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d7a/a05426.html#a2a4801b465902039b3344013fdd17bfc">values</a></td></tr>
84 <tr·class="separator:a2a4801b465902039b3344013fdd17bfc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a2a4801b465902039b3344013fdd17bfc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock">87 <div·class="textblock">
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dad/a00806_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d0/dad/a00806_source.html">quadraticBondStretch.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d9a/a00152_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d7/d9a/a00152_source.html">quadraticBondStretch.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="a99524736bfd265b67f4ac701f1c49351"·name="a99524736bfd265b67f4ac701f1c49351"></a>90 <a·id="a99524736bfd265b67f4ac701f1c49351"·name="a99524736bfd265b67f4ac701f1c49351"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#a99524736bfd265b67f4ac701f1c49351">&#9670;&nbsp;</a></span>atom1</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#a99524736bfd265b67f4ac701f1c49351">&#9670;&nbsp;</a></span>atom1</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
93 <div·class="memproto">93 <div·class="memproto">
94 ······<table·class="memname">94 ······<table·class="memname">
95 ········<tr>95 ········<tr>
96 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::QuadraticBondStretch::Data::atom1</td>96 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::QuadraticBondStretch::Data::atom1</td>
97 ········</tr>97 ········</tr>
98 ······</table>98 ······</table>
99 </div><div·class="memdoc">99 </div><div·class="memdoc">
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dad/a00806_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d0/dad/a00806_source.html">quadraticBondStretch.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d9a/a00152_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d7/d9a/a00152_source.html">quadraticBondStretch.h</a>.</p>
  
101 </div>101 </div>
102 </div>102 </div>
103 <a·id="ad724e78cf813b0212700ebbaf4a3d07e"·name="ad724e78cf813b0212700ebbaf4a3d07e"></a>103 <a·id="ad724e78cf813b0212700ebbaf4a3d07e"·name="ad724e78cf813b0212700ebbaf4a3d07e"></a>
104 <h2·class="memtitle"><span·class="permalink"><a·href="#ad724e78cf813b0212700ebbaf4a3d07e">&#9670;&nbsp;</a></span>atom2</h2>104 <h2·class="memtitle"><span·class="permalink"><a·href="#ad724e78cf813b0212700ebbaf4a3d07e">&#9670;&nbsp;</a></span>atom2</h2>
  
105 <div·class="memitem">105 <div·class="memitem">
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113 ········<tr>113 ········<tr>
114 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::QuadraticBondStretch::Data::atom2</td>114 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::QuadraticBondStretch::Data::atom2</td>
115 ········</tr>115 ········</tr>
116 ······</table>116 ······</table>
117 </div><div·class="memdoc">117 </div><div·class="memdoc">
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dad/a00806_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d0/dad/a00806_source.html">quadraticBondStretch.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d9a/a00152_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d7/d9a/a00152_source.html">quadraticBondStretch.h</a>.</p>
  
119 </div>119 </div>
120 </div>120 </div>
121 <a·id="a2a4801b465902039b3344013fdd17bfc"·name="a2a4801b465902039b3344013fdd17bfc"></a>121 <a·id="a2a4801b465902039b3344013fdd17bfc"·name="a2a4801b465902039b3344013fdd17bfc"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#a2a4801b465902039b3344013fdd17bfc">&#9670;&nbsp;</a></span>values</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#a2a4801b465902039b3344013fdd17bfc">&#9670;&nbsp;</a></span>values</h2>
  
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129 ········<tr>129 ········<tr>
130 ··········<td·class="memname"><a·class="el"·href="../../da/d27/a05422.html">Values</a>·BALL::QuadraticBondStretch::Data::values</td>130 ··········<td·class="memname"><a·class="el"·href="../../da/d27/a05422.html">Values</a>·BALL::QuadraticBondStretch::Data::values</td>
131 ········</tr>131 ········</tr>
132 ······</table>132 ······</table>
133 </div><div·class="memdoc">133 </div><div·class="memdoc">
  
134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dad/a00806_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d0/dad/a00806_source.html">quadraticBondStretch.h</a>.</p>134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d9a/a00152_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d7/d9a/a00152_source.html">quadraticBondStretch.h</a>.</p>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">forceFieldParameters.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">object.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/CONCEPT/autoDeletable.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../df/d98/a00107_source.html">BALL/FORMAT/parameters.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d4/d2a/a00632_source.html">BALL/COMMON/rtti.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../dc/d1b/a00827_source.html">BALL/CONCEPT/bidirectionalIterator.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d8/db7/a00812_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;BALL/CONCEPT/object.iC&gt;</code><br·/>
77 </div>79 </div>
78 <p><a·href="../../dd/d7e/a00809_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../dd/d7e/a00809_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">81 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>83 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9e/a05378.html">BALL::ForceFieldParameters</a></td></tr>84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/da8/a03302.html">BALL::Object</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
84 </table><table·class="memberdecls">86 </table><table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
86 Namespaces</h2></td></tr>88 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../d8/d3d/a06471.html">List·of·all·members</a>··</div>71 <a·href="../../d8/d3d/a06471.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ElectrostaticPotentialCalculator::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ElectrostaticPotentialCalculator::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/d6b/a01775_source.html">BALL/SOLVATION/electrostaticPotentialCalculator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d07/a01913_source.html">BALL/SOLVATION/electrostaticPotentialCalculator.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:aee01c5854d229a711cc76dced81e8a47"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d80/a06474.html#aee01c5854d229a711cc76dced81e8a47">LOCALITY</a></td></tr>79 <tr·class="memitem:aee01c5854d229a711cc76dced81e8a47"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d80/a06474.html#aee01c5854d229a711cc76dced81e8a47">LOCALITY</a></td></tr>
80 <tr·class="separator:aee01c5854d229a711cc76dced81e8a47"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:aee01c5854d229a711cc76dced81e8a47"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 </table>81 </table>
82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock"><p·><a·class="el"·href="../../dd/d80/a06474.html">Default</a>·values·for·the·options·in·<a·class="el"·href="../../d7/dbb/a06466.html#ab8c7790a27e094e95bb665e34d32ef39">ElectrostaticPotentialCalculator::options</a>·</p>83 <div·class="textblock"><p·><a·class="el"·href="../../dd/d80/a06474.html">Default</a>·values·for·the·options·in·<a·class="el"·href="../../d7/dbb/a06466.html#ab8c7790a27e094e95bb665e34d32ef39">ElectrostaticPotentialCalculator::options</a>·</p>
  
84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d6b/a01775_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d1/d6b/a01775_source.html">electrostaticPotentialCalculator.h</a>.</p>84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d07/a01913_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d4/d07/a01913_source.html">electrostaticPotentialCalculator.h</a>.</p>
85 </div><h2·class="groupheader">Member·Data·Documentation</h2>85 </div><h2·class="groupheader">Member·Data·Documentation</h2>
86 <a·id="aee01c5854d229a711cc76dced81e8a47"·name="aee01c5854d229a711cc76dced81e8a47"></a>86 <a·id="aee01c5854d229a711cc76dced81e8a47"·name="aee01c5854d229a711cc76dced81e8a47"></a>
87 <h2·class="memtitle"><span·class="permalink"><a·href="#aee01c5854d229a711cc76dced81e8a47">&#9670;&nbsp;</a></span>LOCALITY</h2>87 <h2·class="memtitle"><span·class="permalink"><a·href="#aee01c5854d229a711cc76dced81e8a47">&#9670;&nbsp;</a></span>LOCALITY</h2>
  
88 <div·class="memitem">88 <div·class="memitem">
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90 <table·class="mlabels">90 <table·class="mlabels">
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102 ··<td·class="mlabels-right">102 ··<td·class="mlabels-right">
103 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>103 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
104 ··</tr>104 ··</tr>
105 </table>105 </table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
107 <p·><a·class="el"·href="../../dd/d80/a06474.html">Default</a>·calculation·method.·The·default·is·to·use·a·local·field.·</p>107 <p·><a·class="el"·href="../../dd/d80/a06474.html">Default</a>·calculation·method.·The·default·is·to·use·a·local·field.·</p>
  
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d6b/a01775_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d1/d6b/a01775_source.html">electrostaticPotentialCalculator.h</a>.</p>108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d07/a01913_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d4/d07/a01913_source.html">electrostaticPotentialCalculator.h</a>.</p>
  
109 </div>109 </div>
110 </div>110 </div>
111 </div><!--·contents·-->111 </div><!--·contents·-->
112 <!--·start·footer·part·-->112 <!--·start·footer·part·-->
113 <hr·class="footer"/><address·class="footer"><small>113 <hr·class="footer"/><address·class="footer"><small>
114 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4114 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 ··<div·class="headertitle"><div·class="title">BALL::AromaticityProcessor·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::AromaticityProcessor·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p>This·processor·provides·methods·for·detection·and·assignment·of·aromaticity.··75 <p>This·processor·provides·methods·for·detection·and·assignment·of·aromaticity.··
76 ·<a·href="../../dd/d82/a05598.html#details">More...</a></p>76 ·<a·href="../../dd/d82/a05598.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d3/d67/a01958_source.html">BALL/QSAR/aromaticityProcessor.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../df/d15/a00416_source.html">BALL/QSAR/aromaticityProcessor.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::AromaticityProcessor:</div>79 Inheritance·diagram·for·BALL::AromaticityProcessor:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../dd/d82/a05598.png"·usemap="#BALL::AromaticityProcessor_map"·alt=""/>82 ··<img·src="../../dd/d82/a05598.png"·usemap="#BALL::AromaticityProcessor_map"·alt=""/>
83 ··<map·id="BALL::AromaticityProcessor_map"·name="BALL::AromaticityProcessor_map">83 ··<map·id="BALL::AromaticityProcessor_map"·name="BALL::AromaticityProcessor_map">
84 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·AtomContainer·&gt;"·shape="rect"·coords="0,56,341,80"/>84 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·AtomContainer·&gt;"·shape="rect"·coords="0,56,341,80"/>
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157 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>157 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
158 </table>158 </table>
159 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>159 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
160 <div·class="textblock"><p·>This·processor·provides·methods·for·detection·and·assignment·of·aromaticity.·</p>160 <div·class="textblock"><p·>This·processor·provides·methods·for·detection·and·assignment·of·aromaticity.·</p>
161 <p·>Aromaticity·<a·class="el"·href="../../de/d93/a03330.html">Processor</a></p>161 <p·>Aromaticity·<a·class="el"·href="../../de/d93/a03330.html">Processor</a></p>
162 <p·><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·method·to·detect·aromaticity·of·AtomContainers.·If·it·is·called·as·a·processor·with·the·operator·(),·the·<a·class="el"·href="../../da/d81/a05850.html">RingPerceptionProcessor</a>·is·called·before,·to·calculate·a·ring·set.·It·can·be·called·explicitely·with·aromatize·with·a·ringset·as·parameter.·</p>162 <p·><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·method·to·detect·aromaticity·of·AtomContainers.·If·it·is·called·as·a·processor·with·the·operator·(),·the·<a·class="el"·href="../../da/d81/a05850.html">RingPerceptionProcessor</a>·is·called·before,·to·calculate·a·ring·set.·It·can·be·called·explicitely·with·aromatize·with·a·ringset·as·parameter.·</p>
  
163 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d67/a01958_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d3/d67/a01958_source.html">aromaticityProcessor.h</a>.</p>163 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d15/a00416_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../df/d15/a00416_source.html">aromaticityProcessor.h</a>.</p>
164 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>164 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
165 <a·id="a55bb59a9631e37a96d6c174f477c177e"·name="a55bb59a9631e37a96d6c174f477c177e"></a>165 <a·id="a55bb59a9631e37a96d6c174f477c177e"·name="a55bb59a9631e37a96d6c174f477c177e"></a>
166 <h2·class="memtitle"><span·class="permalink"><a·href="#a55bb59a9631e37a96d6c174f477c177e">&#9670;&nbsp;</a></span>AromaticityProcessor()·<span·class="overload">[1/2]</span></h2>166 <h2·class="memtitle"><span·class="permalink"><a·href="#a55bb59a9631e37a96d6c174f477c177e">&#9670;&nbsp;</a></span>AromaticityProcessor()·<span·class="overload">[1/2]</span></h2>
  
167 <div·class="memitem">167 <div·class="memitem">
168 <div·class="memproto">168 <div·class="memproto">
169 ······<table·class="memname">169 ······<table·class="memname">
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411 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::AromaticityProcessor::options</td>411 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::AromaticityProcessor::options</td>
412 ········</tr>412 ········</tr>
413 ······</table>413 ······</table>
414 </div><div·class="memdoc">414 </div><div·class="memdoc">
  
415 <p>options·</p>415 <p>options·</p>
  
416 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d67/a01958_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../d3/d67/a01958_source.html">aromaticityProcessor.h</a>.</p>416 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d15/a00416_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../df/d15/a00416_source.html">aromaticityProcessor.h</a>.</p>
  
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420 <!--·start·footer·part·-->420 <!--·start·footer·part·-->
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8 <title>BALL:·quadruple.h·File·Reference</title>8 <title>BALL:·coulomb.h·File·Reference</title>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_172821828ed838e714d67791f53a2f5a.html">ENERGY</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124; 
70 <a·href="#namespaces">Namespaces</a>··</div>69 <a·href="#namespaces">Namespaces</a>·&#124;
 70 <a·href="#func-members">Functions</a>··</div>
71 ··<div·class="headertitle"><div·class="title">quadruple.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">coulomb.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 </div>75 </div>
76 <p><a·href="../../dd/d8e/a01898_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../dd/d8e/a01898_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
79 Classes</h2></td></tr> 
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d60/a03562.html">BALL::Quadruple&lt;·T1,·T2,·T3,·T4·&gt;</a></td></tr> 
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
82 </table><table·class="memberdecls"> 
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
84 Namespaces</h2></td></tr>79 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>80 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 82 </table><table·class="memberdecls">
 83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 84 Functions</h2></td></tr>
 85 <tr·class="memitem:ga982bf11586cc66ca76d1d1a5189ffd83"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/df6/a02138.html#ga982bf11586cc66ca76d1d1a5189ffd83">BALL::calculateCoulomb</a>·(const·AtomContainer·&amp;atoms)</td></tr>
 86 <tr·class="separator:ga982bf11586cc66ca76d1d1a5189ffd83"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table>87 </table>
88 </div><!--·contents·-->88 </div><!--·contents·-->
89 <!--·start·footer·part·-->89 <!--·start·footer·part·-->
90 <hr·class="footer"/><address·class="footer"><small>90 <hr·class="footer"/><address·class="footer"><small>
91 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.491 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;71 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
72 <a·href="../../d9/d45/a03879.html">List·of·all·members</a>··</div>72 <a·href="../../d9/d45/a03879.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::DockResultFile·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::DockResultFile·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d9/d77/a00095_source.html">BALL/FORMAT/dockResultFile.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../da/d5b/a00905_source.html">BALL/FORMAT/dockResultFile.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::DockResultFile:</div>78 Inheritance·diagram·for·BALL::DockResultFile:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../dd/d94/a03882.png"·usemap="#BALL::DockResultFile_map"·alt=""/>81 ··<img·src="../../dd/d94/a03882.png"·usemap="#BALL::DockResultFile_map"·alt=""/>
82 ··<map·id="BALL::DockResultFile_map"·name="BALL::DockResultFile_map">82 ··<map·id="BALL::DockResultFile_map"·name="BALL::DockResultFile_map">
83 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>83 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>
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416 <tr·class="separator:aa2e31799b270990fd18ca981b68229be·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>416 <tr·class="separator:aa2e31799b270990fd18ca981b68229be·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
417 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>417 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>
418 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>418 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
419 </table>419 </table>
420 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>420 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
421 <div·class="textblock"><p·><a·class="el"·href="../../dd/d94/a03882.html">DockResultFile</a>·class.·Used·to·store·docking·results.·</p>421 <div·class="textblock"><p·><a·class="el"·href="../../dd/d94/a03882.html">DockResultFile</a>·class.·Used·to·store·docking·results.·</p>
  
422 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d77/a00095_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d9/d77/a00095_source.html">dockResultFile.h</a>.</p>422 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d5b/a00905_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../da/d5b/a00905_source.html">dockResultFile.h</a>.</p>
423 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>423 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
424 <a·id="a462536ec5e06492bb570a7d7b38feacd"·name="a462536ec5e06492bb570a7d7b38feacd"></a>424 <a·id="a462536ec5e06492bb570a7d7b38feacd"·name="a462536ec5e06492bb570a7d7b38feacd"></a>
425 <h2·class="memtitle"><span·class="permalink"><a·href="#a462536ec5e06492bb570a7d7b38feacd">&#9670;&nbsp;</a></span>DockResultFile()</h2>425 <h2·class="memtitle"><span·class="permalink"><a·href="#a462536ec5e06492bb570a7d7b38feacd">&#9670;&nbsp;</a></span>DockResultFile()</h2>
  
426 <div·class="memitem">426 <div·class="memitem">
427 <div·class="memproto">427 <div·class="memproto">
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955 ··</td>955 ··</td>
956 ··<td·class="mlabels-right">956 ··<td·class="mlabels-right">
957 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>957 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
958 ··</tr>958 ··</tr>
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961 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d77/a00095_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d9/d77/a00095_source.html">dockResultFile.h</a>.</p>961 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d5b/a00905_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../da/d5b/a00905_source.html">dockResultFile.h</a>.</p>
  
962 </div>962 </div>
963 </div>963 </div>
964 </div><!--·contents·-->964 </div><!--·contents·-->
965 <!--·start·footer·part·-->965 <!--·start·footer·part·-->
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8 <title>BALL:·inputDeviceDriver.h·File·Reference</title>8 <title>BALL:·stereoSettingsDialog.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c87a3f409bf7b467c2853acf63d5429e.html">INPUT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">inputDeviceDriver.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">stereoSettingsDialog.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;BALL/VIEW/UIC/ui_stereoSettingsDialog.h&gt;</code><br·/>
75 <code>#include·&lt;QtCore/QMutex&gt;</code><br·/>77 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>
76 </div>78 </div>
77 <p><a·href="../../dd/d95/a01247_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../dd/d95/a01247_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">80 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>82 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d73/a07766.html">BALL::VIEW::InputDeviceDriver</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d4e/a07742.html">BALL::VIEW::StereoSettingsDialog</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table><table·class="memberdecls">85 </table><table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
85 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>90 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../de/d07/a05271.html">List·of·all·members</a>··</div>71 <a·href="../../de/d07/a05271.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::MMFF94StretchParameters::EmpiricalBondData·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::MMFF94StretchParameters::EmpiricalBondData·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../df/d88/a00962_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../df/dc8/a00122_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a182b0028ad47bbcb9c3766b1ba4a321d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d95/a05274.html#a182b0028ad47bbcb9c3766b1ba4a321d">kb</a></td></tr>79 <tr·class="memitem:a182b0028ad47bbcb9c3766b1ba4a321d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d95/a05274.html#a182b0028ad47bbcb9c3766b1ba4a321d">kb</a></td></tr>
80 <tr·class="separator:a182b0028ad47bbcb9c3766b1ba4a321d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a182b0028ad47bbcb9c3766b1ba4a321d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:aa4324e5fb761843d42c4d91dba253fd0"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d95/a05274.html#aa4324e5fb761843d42c4d91dba253fd0">r0</a></td></tr>81 <tr·class="memitem:aa4324e5fb761843d42c4d91dba253fd0"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d95/a05274.html#aa4324e5fb761843d42c4d91dba253fd0">r0</a></td></tr>
82 <tr·class="separator:aa4324e5fb761843d42c4d91dba253fd0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:aa4324e5fb761843d42c4d91dba253fd0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock">85 <div·class="textblock">
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00207">207</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00207">207</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="a182b0028ad47bbcb9c3766b1ba4a321d"·name="a182b0028ad47bbcb9c3766b1ba4a321d"></a>88 <a·id="a182b0028ad47bbcb9c3766b1ba4a321d"·name="a182b0028ad47bbcb9c3766b1ba4a321d"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#a182b0028ad47bbcb9c3766b1ba4a321d">&#9670;&nbsp;</a></span>kb</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#a182b0028ad47bbcb9c3766b1ba4a321d">&#9670;&nbsp;</a></span>kb</h2>
  
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92 ······<table·class="memname">92 ······<table·class="memname">
93 ········<tr>93 ········<tr>
94 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::MMFF94StretchParameters::EmpiricalBondData::kb</td>94 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::MMFF94StretchParameters::EmpiricalBondData::kb</td>
95 ········</tr>95 ········</tr>
96 ······</table>96 ······</table>
97 </div><div·class="memdoc">97 </div><div·class="memdoc">
  
98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00209">209</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00209">209</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
99 </div>99 </div>
100 </div>100 </div>
101 <a·id="aa4324e5fb761843d42c4d91dba253fd0"·name="aa4324e5fb761843d42c4d91dba253fd0"></a>101 <a·id="aa4324e5fb761843d42c4d91dba253fd0"·name="aa4324e5fb761843d42c4d91dba253fd0"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#aa4324e5fb761843d42c4d91dba253fd0">&#9670;&nbsp;</a></span>r0</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#aa4324e5fb761843d42c4d91dba253fd0">&#9670;&nbsp;</a></span>r0</h2>
  
103 <div·class="memitem">103 <div·class="memitem">
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110 ······<table·class="memname">110 ······<table·class="memname">
111 ········<tr>111 ········<tr>
112 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::MMFF94StretchParameters::EmpiricalBondData::r0</td>112 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::MMFF94StretchParameters::EmpiricalBondData::r0</td>
113 ········</tr>113 ········</tr>
114 ······</table>114 ······</table>
115 </div><div·class="memdoc">115 </div><div·class="memdoc">
  
116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00210">210</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00210">210</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
117 </div>117 </div>
118 </div>118 </div>
119 </div><!--·contents·-->119 </div><!--·contents·-->
120 <!--·start·footer·part·-->120 <!--·start·footer·part·-->
121 <hr·class="footer"/><address·class="footer"><small>121 <hr·class="footer"/><address·class="footer"><small>
122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d7/dd3/a06247.html">List·of·all·members</a>··</div>71 <a·href="../../d7/dd3/a06247.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::CHPISlick::AromaticRing·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::CHPISlick::AromaticRing·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/db1/a00200_source.html">BALL/SCORING/COMPONENTS/CHPISlick.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/deb/a02090_source.html">BALL/SCORING/COMPONENTS/CHPISlick.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:a334b6aa32b178ead4c15aed64cbf4fed"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9a/a06250.html#a334b6aa32b178ead4c15aed64cbf4fed">AromaticRing</a>·()</td></tr>79 <tr·class="memitem:a334b6aa32b178ead4c15aed64cbf4fed"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9a/a06250.html#a334b6aa32b178ead4c15aed64cbf4fed">AromaticRing</a>·()</td></tr>
80 <tr·class="separator:a334b6aa32b178ead4c15aed64cbf4fed"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a334b6aa32b178ead4c15aed64cbf4fed"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:abf63dbb78861601aa0f8c298a881e28f"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9a/a06250.html#abf63dbb78861601aa0f8c298a881e28f">AromaticRing</a>·(const·<a·class="el"·href="../../dd/d9a/a06250.html">AromaticRing</a>·&amp;aromatic_ring)</td></tr>81 <tr·class="memitem:abf63dbb78861601aa0f8c298a881e28f"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9a/a06250.html#abf63dbb78861601aa0f8c298a881e28f">AromaticRing</a>·(const·<a·class="el"·href="../../dd/d9a/a06250.html">AromaticRing</a>·&amp;aromatic_ring)</td></tr>
82 <tr·class="separator:abf63dbb78861601aa0f8c298a881e28f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:abf63dbb78861601aa0f8c298a881e28f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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93 <tr·class="separator:a4938e2e2b40395e507e87de80ab57ffc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:a4938e2e2b40395e507e87de80ab57ffc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 <tr·class="memitem:ab7722ad82d1bbca260c2471b9579c26f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9a/a06250.html#ab7722ad82d1bbca260c2471b9579c26f">dump</a>·(std::ostream·&amp;s=std::cout)·const</td></tr>94 <tr·class="memitem:ab7722ad82d1bbca260c2471b9579c26f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9a/a06250.html#ab7722ad82d1bbca260c2471b9579c26f">dump</a>·(std::ostream·&amp;s=std::cout)·const</td></tr>
95 <tr·class="separator:ab7722ad82d1bbca260c2471b9579c26f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:ab7722ad82d1bbca260c2471b9579c26f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table>96 </table>
97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
98 <div·class="textblock"><p·>A·class·for·storing·aromatic·rings·and·information·associated·with·them.·At·the·moment·we·only·need·the·ring·centres·and·the·atoms.·</p>98 <div·class="textblock"><p·>A·class·for·storing·aromatic·rings·and·information·associated·with·them.·At·the·moment·we·only·need·the·ring·centres·and·the·atoms.·</p>
  
99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/db1/a00200_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d3/db1/a00200_source.html">CHPISlick.h</a>.</p>99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/deb/a02090_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d7/deb/a02090_source.html">CHPISlick.h</a>.</p>
100 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>100 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
101 <a·id="a334b6aa32b178ead4c15aed64cbf4fed"·name="a334b6aa32b178ead4c15aed64cbf4fed"></a>101 <a·id="a334b6aa32b178ead4c15aed64cbf4fed"·name="a334b6aa32b178ead4c15aed64cbf4fed"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#a334b6aa32b178ead4c15aed64cbf4fed">&#9670;&nbsp;</a></span>AromaticRing()·<span·class="overload">[1/3]</span></h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#a334b6aa32b178ead4c15aed64cbf4fed">&#9670;&nbsp;</a></span>AromaticRing()·<span·class="overload">[1/3]</span></h2>
  
103 <div·class="memitem">103 <div·class="memitem">
104 <div·class="memproto">104 <div·class="memproto">
105 ······<table·class="memname">105 ······<table·class="memname">
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71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
73 <a·href="../../db/da6/a06395.html">List·of·all·members</a>··</div>73 <a·href="../../db/da6/a06395.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::GridedPLP·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::GridedPLP·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d2/d04/a00281_source.html">BALL/SCORING/FUNCTIONS/gridedPLP.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d6/d94/a02033_source.html">BALL/SCORING/FUNCTIONS/gridedPLP.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::GridedPLP:</div>79 Inheritance·diagram·for·BALL::GridedPLP:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../dd/d9c/a06398.png"·usemap="#BALL::GridedPLP_map"·alt=""/>82 ··<img·src="../../dd/d9c/a06398.png"·usemap="#BALL::GridedPLP_map"·alt=""/>
83 ··<map·id="BALL::GridedPLP_map"·name="BALL::GridedPLP_map">83 ··<map·id="BALL::GridedPLP_map"·name="BALL::GridedPLP_map">
84 <area·href="../../d8/d2f/a06122.html"·alt="BALL::DiffGridBasedScoring"·shape="rect"·coords="0,112,172,136"/>84 <area·href="../../d8/d2f/a06122.html"·alt="BALL::DiffGridBasedScoring"·shape="rect"·coords="0,112,172,136"/>
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500 </table>500 </table>
501 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>501 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
502 <div·class="textblock"><p·><a·class="el"·href="../../d0/d64/a06166.html">ScoringFunction</a>·using·a·grid-based·version·of·Piecewise·Linear·Potential·</p>502 <div·class="textblock"><p·><a·class="el"·href="../../d0/d64/a06166.html">ScoringFunction</a>·using·a·grid-based·version·of·Piecewise·Linear·Potential·</p>
  
503 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d04/a00281_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d2/d04/a00281_source.html">gridedPLP.h</a>.</p>503 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d94/a02033_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d6/d94/a02033_source.html">gridedPLP.h</a>.</p>
504 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>504 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
505 <a·id="a8a53d8fbd866579e0ac9003fe6de4249"·name="a8a53d8fbd866579e0ac9003fe6de4249"></a>505 <a·id="a8a53d8fbd866579e0ac9003fe6de4249"·name="a8a53d8fbd866579e0ac9003fe6de4249"></a>
506 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a53d8fbd866579e0ac9003fe6de4249">&#9670;&nbsp;</a></span>GridedPLP()·<span·class="overload">[1/2]</span></h2>506 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a53d8fbd866579e0ac9003fe6de4249">&#9670;&nbsp;</a></span>GridedPLP()·<span·class="overload">[1/2]</span></h2>
  
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741 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d04/a00281_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d2/d04/a00281_source.html">gridedPLP.h</a>.</p>741 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d94/a02033_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d6/d94/a02033_source.html">gridedPLP.h</a>.</p>
  
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_0f44562fa0092558829ef2f34049a706.html">MODELS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">surfaceModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">generateCrystalDialog.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;BALL/VIEW/UIC/ui_generateCrystalDialog.h&gt;</code><br·/>
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d43/a01193_source.html">BALL/VIEW/MODELS/modelProcessor.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d8/df0/a00557_source.html">BALL/STRUCTURE/surfaceProcessor.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../dc/df1/a00662_source.html">BALL/XRAY/crystalGenerator.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
76 </div>80 </div>
77 <p><a·href="../../dd/d9e/a01226_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../dd/d9e/a01226_source.html">Go·to·the·source·code·of·this·file.</a></p>
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81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d6f/a08130.html">BALL::VIEW::AddSurfaceModel</a></td></tr>85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d52/a07614.html">BALL::VIEW::GenerateCrystalDialog</a></td></tr>
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70 <a·href="#friends">Friends</a>·&#124;70 <a·href="#friends">Friends</a>·&#124;
71 <a·href="../../d3/d97/a05375.html">List·of·all·members</a>··</div>71 <a·href="../../d3/d97/a05375.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ForceFieldParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ForceFieldParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dd/d7e/a00809_source.html">BALL/MOLMEC/PARAMETER/forceFieldParameters.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../db/ddf/a00164_source.html">BALL/MOLMEC/PARAMETER/forceFieldParameters.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::ForceFieldParameters:</div>77 Inheritance·diagram·for·BALL::ForceFieldParameters:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../dd/d9e/a05378.png"·usemap="#BALL::ForceFieldParameters_map"·alt=""/>80 ··<img·src="../../dd/d9e/a05378.png"·usemap="#BALL::ForceFieldParameters_map"·alt=""/>
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150 </table>150 </table>
151 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>151 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
152 <div·class="textblock"><p·>Force·field·parameter·class.·</p>152 <div·class="textblock"><p·>Force·field·parameter·class.·</p>
  
153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d7e/a00809_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../dd/d7e/a00809_source.html">forceFieldParameters.h</a>.</p>153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddf/a00164_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../db/ddf/a00164_source.html">forceFieldParameters.h</a>.</p>
154 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>154 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
155 <a·id="a4e9c680271a995dd014daf8bb1b8f937"·name="a4e9c680271a995dd014daf8bb1b8f937"></a>155 <a·id="a4e9c680271a995dd014daf8bb1b8f937"·name="a4e9c680271a995dd014daf8bb1b8f937"></a>
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392 ··</td>392 ··</td>
393 ··<td·class="mlabels-right">393 ··<td·class="mlabels-right">
394 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>394 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
395 ··</tr>395 ··</tr>
396 </table>396 </table>
397 </div><div·class="memdoc">397 </div><div·class="memdoc">
  
398 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d7e/a00809_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../dd/d7e/a00809_source.html">forceFieldParameters.h</a>.</p>398 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddf/a00164_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../db/ddf/a00164_source.html">forceFieldParameters.h</a>.</p>
  
399 </div>399 </div>
400 </div>400 </div>
401 <h2·class="groupheader">Member·Data·Documentation</h2>401 <h2·class="groupheader">Member·Data·Documentation</h2>
402 <a·id="a7b25814894943f636d9b33a1fa8e1804"·name="a7b25814894943f636d9b33a1fa8e1804"></a>402 <a·id="a7b25814894943f636d9b33a1fa8e1804"·name="a7b25814894943f636d9b33a1fa8e1804"></a>
403 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b25814894943f636d9b33a1fa8e1804">&#9670;&nbsp;</a></span>atom_types_</h2>403 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b25814894943f636d9b33a1fa8e1804">&#9670;&nbsp;</a></span>atom_types_</h2>
  
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417 ··</td>417 ··</td>
418 ··<td·class="mlabels-right">418 ··<td·class="mlabels-right">
419 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>419 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
420 ··</tr>420 ··</tr>
421 </table>421 </table>
422 </div><div·class="memdoc">422 </div><div·class="memdoc">
  
423 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d7e/a00809_source.html#l00113">113</a>·of·file·<a·class="el"·href="../../dd/d7e/a00809_source.html">forceFieldParameters.h</a>.</p>423 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddf/a00164_source.html#l00113">113</a>·of·file·<a·class="el"·href="../../db/ddf/a00164_source.html">forceFieldParameters.h</a>.</p>
  
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../df/d51/a05835.html">List·of·all·members</a>··</div>70 <a·href="../../df/d51/a05835.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::RegressionModel·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::RegressionModel·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/QSAR/regressionModel.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../de/df8/a00440_source.html">BALL/QSAR/regressionModel.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::QSAR::RegressionModel:</div>76 Inheritance·diagram·for·BALL::QSAR::RegressionModel:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../dd/d9e/a05838.png"·usemap="#BALL::QSAR::RegressionModel_map"·alt=""/>79 ··<img·src="../../dd/d9e/a05838.png"·usemap="#BALL::QSAR::RegressionModel_map"·alt=""/>
80 ··<map·id="BALL::QSAR::RegressionModel_map"·name="BALL::QSAR::RegressionModel_map">80 ··<map·id="BALL::QSAR::RegressionModel_map"·name="BALL::QSAR::RegressionModel_map">
81 <area·href="../../d9/dc9/a05774.html"·alt="BALL::QSAR::Model"·shape="rect"·coords="518,0,706,24"/>81 <area·href="../../d9/dc9/a05774.html"·alt="BALL::QSAR::Model"·shape="rect"·coords="518,0,706,24"/>
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243 <tr·class="memitem:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a176571ffb47e2bd28ab17a4ef939daa7">addLambda</a>·(Eigen::MatrixXd·&amp;matrix,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;lambda)</td></tr>243 <tr·class="memitem:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a176571ffb47e2bd28ab17a4ef939daa7">addLambda</a>·(Eigen::MatrixXd·&amp;matrix,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;lambda)</td></tr>
244 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>244 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
245 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>245 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>
246 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>246 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
247 </table>247 </table>
248 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>248 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
249 <div·class="textblock">249 <div·class="textblock">
250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d50/a02081_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d2/d50/a02081_source.html">regressionModel.h</a>.</p>250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/df8/a00440_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../de/df8/a00440_source.html">regressionModel.h</a>.</p>
251 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>251 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
252 <a·id="af7019e8bbb41557c1a4ce133ed933b51"·name="af7019e8bbb41557c1a4ce133ed933b51"></a>252 <a·id="af7019e8bbb41557c1a4ce133ed933b51"·name="af7019e8bbb41557c1a4ce133ed933b51"></a>
253 <h2·class="memtitle"><span·class="permalink"><a·href="#af7019e8bbb41557c1a4ce133ed933b51">&#9670;&nbsp;</a></span>RegressionModel()</h2>253 <h2·class="memtitle"><span·class="permalink"><a·href="#af7019e8bbb41557c1a4ce133ed933b51">&#9670;&nbsp;</a></span>RegressionModel()</h2>
  
254 <div·class="memitem">254 <div·class="memitem">
255 <div·class="memproto">255 <div·class="memproto">
256 ······<table·class="memname">256 ······<table·class="memname">
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535 ··</td>535 ··</td>
536 ··<td·class="mlabels-right">536 ··<td·class="mlabels-right">
537 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>537 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
538 ··</tr>538 ··</tr>
539 </table>539 </table>
540 </div><div·class="memdoc">540 </div><div·class="memdoc">
  
541 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d50/a02081_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../d2/d50/a02081_source.html">regressionModel.h</a>.</p>541 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/df8/a00440_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../de/df8/a00440_source.html">regressionModel.h</a>.</p>
  
542 </div>542 </div>
543 </div>543 </div>
544 <a·id="a338b8f006d4c2ed937a5fd3deed19b56"·name="a338b8f006d4c2ed937a5fd3deed19b56"></a>544 <a·id="a338b8f006d4c2ed937a5fd3deed19b56"·name="a338b8f006d4c2ed937a5fd3deed19b56"></a>
545 <h2·class="memtitle"><span·class="permalink"><a·href="#a338b8f006d4c2ed937a5fd3deed19b56">&#9670;&nbsp;</a></span>Rescoring</h2>545 <h2·class="memtitle"><span·class="permalink"><a·href="#a338b8f006d4c2ed937a5fd3deed19b56">&#9670;&nbsp;</a></span>Rescoring</h2>
  
546 <div·class="memitem">546 <div·class="memitem">
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559 ··</td>559 ··</td>
560 ··<td·class="mlabels-right">560 ··<td·class="mlabels-right">
561 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>561 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
562 ··</tr>562 ··</tr>
563 </table>563 </table>
564 </div><div·class="memdoc">564 </div><div·class="memdoc">
  
565 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d50/a02081_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../d2/d50/a02081_source.html">regressionModel.h</a>.</p>565 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/df8/a00440_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../de/df8/a00440_source.html">regressionModel.h</a>.</p>
  
566 </div>566 </div>
567 </div>567 </div>
568 <h2·class="groupheader">Member·Data·Documentation</h2>568 <h2·class="groupheader">Member·Data·Documentation</h2>
569 <a·id="ae92d141e1f1167dc95b06e7c88370cfa"·name="ae92d141e1f1167dc95b06e7c88370cfa"></a>569 <a·id="ae92d141e1f1167dc95b06e7c88370cfa"·name="ae92d141e1f1167dc95b06e7c88370cfa"></a>
570 <h2·class="memtitle"><span·class="permalink"><a·href="#ae92d141e1f1167dc95b06e7c88370cfa">&#9670;&nbsp;</a></span>offsets_</h2>570 <h2·class="memtitle"><span·class="permalink"><a·href="#ae92d141e1f1167dc95b06e7c88370cfa">&#9670;&nbsp;</a></span>offsets_</h2>
  
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584 ··</td>584 ··</td>
585 ··<td·class="mlabels-right">585 ··<td·class="mlabels-right">
586 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>586 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
587 ··</tr>587 ··</tr>
588 </table>588 </table>
589 </div><div·class="memdoc">589 </div><div·class="memdoc">
  
590 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d50/a02081_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../d2/d50/a02081_source.html">regressionModel.h</a>.</p>590 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/df8/a00440_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../de/df8/a00440_source.html">regressionModel.h</a>.</p>
  
591 </div>591 </div>
592 </div>592 </div>
593 <a·id="a0980b65e05de59c28623277c77de8bb9"·name="a0980b65e05de59c28623277c77de8bb9"></a>593 <a·id="a0980b65e05de59c28623277c77de8bb9"·name="a0980b65e05de59c28623277c77de8bb9"></a>
594 <h2·class="memtitle"><span·class="permalink"><a·href="#a0980b65e05de59c28623277c77de8bb9">&#9670;&nbsp;</a></span>training_result_</h2>594 <h2·class="memtitle"><span·class="permalink"><a·href="#a0980b65e05de59c28623277c77de8bb9">&#9670;&nbsp;</a></span>training_result_</h2>
  
595 <div·class="memitem">595 <div·class="memitem">
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617 <a·class="el"·href="../../db/dd1/a05730.html">KernelModel</a>·:·nxc·<br··/>617 <a·class="el"·href="../../db/dd1/a05730.html">KernelModel</a>·:·nxc·<br··/>
618 <a·class="el"·href="../../d3/ddd/a05594.html">ALLModel</a>·:·mxc·<br··/>618 <a·class="el"·href="../../d3/ddd/a05594.html">ALLModel</a>·:·mxc·<br··/>
619 FitModel·:·mxc·<br··/>619 FitModel·:·mxc·<br··/>
620 <a·class="el"·href="../../de/de4/a06106.html">SVMModel</a>·:·m·x·(c*no·of·classes)·<br··/>620 <a·class="el"·href="../../de/de4/a06106.html">SVMModel</a>·:·m·x·(c*no·of·classes)·<br··/>
621 <a·class="el"·href="../../d9/d59/a06110.html">SVRModel</a>·:·m·x·(c*no·of·classes)·<br··/>621 <a·class="el"·href="../../d9/d59/a06110.html">SVRModel</a>·:·m·x·(c*no·of·classes)·<br··/>
622 ·</p>622 ·</p>
  
623 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d50/a02081_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../d2/d50/a02081_source.html">regressionModel.h</a>.</p>623 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/df8/a00440_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../de/df8/a00440_source.html">regressionModel.h</a>.</p>
  
624 </div>624 </div>
625 </div>625 </div>
626 <a·id="a7adf57a2593402edba5fe16a918fd2e4"·name="a7adf57a2593402edba5fe16a918fd2e4"></a>626 <a·id="a7adf57a2593402edba5fe16a918fd2e4"·name="a7adf57a2593402edba5fe16a918fd2e4"></a>
627 <h2·class="memtitle"><span·class="permalink"><a·href="#a7adf57a2593402edba5fe16a918fd2e4">&#9670;&nbsp;</a></span>validation</h2>627 <h2·class="memtitle"><span·class="permalink"><a·href="#a7adf57a2593402edba5fe16a918fd2e4">&#9670;&nbsp;</a></span>validation</h2>
  
628 <div·class="memitem">628 <div·class="memitem">
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634 ········<tr>634 ········<tr>
635 ··········<td·class="memname"><a·class="el"·href="../../d2/d70/a05842.html">RegressionValidation</a>*·BALL::QSAR::RegressionModel::validation</td>635 ··········<td·class="memname"><a·class="el"·href="../../d2/d70/a05842.html">RegressionValidation</a>*·BALL::QSAR::RegressionModel::validation</td>
636 ········</tr>636 ········</tr>
637 ······</table>637 ······</table>
638 </div><div·class="memdoc">638 </div><div·class="memdoc">
639 <p·>a·ModelValidation·object,·that·is·used·to·validate·this·model·and·that·will·contain·the·results·of·the·validations·</p>639 <p·>a·ModelValidation·object,·that·is·used·to·validate·this·model·and·that·will·contain·the·results·of·the·validations·</p>
  
640 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d50/a02081_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d2/d50/a02081_source.html">regressionModel.h</a>.</p>640 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/df8/a00440_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../de/df8/a00440_source.html">regressionModel.h</a>.</p>
  
641 </div>641 </div>
642 </div>642 </div>
643 </div><!--·contents·-->643 </div><!--·contents·-->
644 <!--·start·footer·part·-->644 <!--·start·footer·part·-->
645 <hr·class="footer"/><address·class="footer"><small>645 <hr·class="footer"/><address·class="footer"><small>
646 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4646 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d6/d5b/a04003.html">List·of·all·members</a>··</div>70 <a·href="../../d6/d5b/a04003.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::MOPACInputFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::MOPACInputFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d5/de0/a00050_source.html">BALL/FORMAT/MOPACInputFile.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d7/d46/a00890_source.html">BALL/FORMAT/MOPACInputFile.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::MOPACInputFile:</div>76 Inheritance·diagram·for·BALL::MOPACInputFile:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../dd/da0/a04006.png"·usemap="#BALL::MOPACInputFile_map"·alt=""/>79 ··<img·src="../../dd/da0/a04006.png"·usemap="#BALL::MOPACInputFile_map"·alt=""/>
80 ··<map·id="BALL::MOPACInputFile_map"·name="BALL::MOPACInputFile_map">80 ··<map·id="BALL::MOPACInputFile_map"·name="BALL::MOPACInputFile_map">
81 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>81 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>
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387 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>387 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>
388 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>388 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
389 </table>389 </table>
390 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>390 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
391 <div·class="textblock"><p·>MOPAC·input·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·MOPAC·input·files.·<br··/>391 <div·class="textblock"><p·>MOPAC·input·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·MOPAC·input·files.·<br··/>
392 ·</p>392 ·</p>
  
393 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/de0/a00050_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d5/de0/a00050_source.html">MOPACInputFile.h</a>.</p>393 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d46/a00890_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d7/d46/a00890_source.html">MOPACInputFile.h</a>.</p>
394 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>394 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
395 <a·id="a73f4dce02f2a786af18426ba63ba2960"·name="a73f4dce02f2a786af18426ba63ba2960"></a>395 <a·id="a73f4dce02f2a786af18426ba63ba2960"·name="a73f4dce02f2a786af18426ba63ba2960"></a>
396 <h2·class="memtitle"><span·class="permalink"><a·href="#a73f4dce02f2a786af18426ba63ba2960">&#9670;&nbsp;</a></span>MOPACInputFile()·<span·class="overload">[1/2]</span></h2>396 <h2·class="memtitle"><span·class="permalink"><a·href="#a73f4dce02f2a786af18426ba63ba2960">&#9670;&nbsp;</a></span>MOPACInputFile()·<span·class="overload">[1/2]</span></h2>
  
397 <div·class="memitem">397 <div·class="memitem">
398 <div·class="memproto">398 <div·class="memproto">
399 ······<table·class="memname">399 ······<table·class="memname">
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619 ··</td>619 ··</td>
620 ··<td·class="mlabels-right">620 ··<td·class="mlabels-right">
621 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>621 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
622 ··</tr>622 ··</tr>
623 </table>623 </table>
624 </div><div·class="memdoc">624 </div><div·class="memdoc">
  
625 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/de0/a00050_source.html#l00099">99</a>·of·file·<a·class="el"·href="../../d5/de0/a00050_source.html">MOPACInputFile.h</a>.</p>625 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d46/a00890_source.html#l00099">99</a>·of·file·<a·class="el"·href="../../d7/d46/a00890_source.html">MOPACInputFile.h</a>.</p>
  
626 </div>626 </div>
627 </div>627 </div>
628 </div><!--·contents·-->628 </div><!--·contents·-->
629 <!--·start·footer·part·-->629 <!--·start·footer·part·-->
630 <hr·class="footer"/><address·class="footer"><small>630 <hr·class="footer"/><address·class="footer"><small>
631 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4631 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../d9/df1/a04179.html">List·of·all·members</a>··</div>71 <a·href="../../d9/df1/a04179.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordEND·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordEND·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:ac985fbb01e666f49e21eb3ac16940460"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/da0/a04182.html#ac985fbb01e666f49e21eb3ac16940460">record_type</a></td></tr>79 <tr·class="memitem:ac985fbb01e666f49e21eb3ac16940460"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/da0/a04182.html#ac985fbb01e666f49e21eb3ac16940460">record_type</a></td></tr>
80 <tr·class="separator:ac985fbb01e666f49e21eb3ac16940460"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:ac985fbb01e666f49e21eb3ac16940460"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:ad9ede8358c9046aed1effa39519253bf"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/da0/a04182.html#ad9ede8358c9046aed1effa39519253bf">record_name</a></td></tr>81 <tr·class="memitem:ad9ede8358c9046aed1effa39519253bf"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/da0/a04182.html#ad9ede8358c9046aed1effa39519253bf">record_name</a></td></tr>
82 <tr·class="separator:ad9ede8358c9046aed1effa39519253bf"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:ad9ede8358c9046aed1effa39519253bf"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock">85 <div·class="textblock">
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00620">620</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00620">620</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="ad9ede8358c9046aed1effa39519253bf"·name="ad9ede8358c9046aed1effa39519253bf"></a>88 <a·id="ad9ede8358c9046aed1effa39519253bf"·name="ad9ede8358c9046aed1effa39519253bf"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#ad9ede8358c9046aed1effa39519253bf">&#9670;&nbsp;</a></span>record_name</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#ad9ede8358c9046aed1effa39519253bf">&#9670;&nbsp;</a></span>record_name</h2>
  
90 <div·class="memitem">90 <div·class="memitem">
91 <div·class="memproto">91 <div·class="memproto">
92 ······<table·class="memname">92 ······<table·class="memname">
93 ········<tr>93 ········<tr>
94 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordEND::record_name</td>94 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordEND::record_name</td>
95 ········</tr>95 ········</tr>
96 ······</table>96 ······</table>
97 </div><div·class="memdoc">97 </div><div·class="memdoc">
  
98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00623">623</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00623">623</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
99 </div>99 </div>
100 </div>100 </div>
101 <a·id="ac985fbb01e666f49e21eb3ac16940460"·name="ac985fbb01e666f49e21eb3ac16940460"></a>101 <a·id="ac985fbb01e666f49e21eb3ac16940460"·name="ac985fbb01e666f49e21eb3ac16940460"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#ac985fbb01e666f49e21eb3ac16940460">&#9670;&nbsp;</a></span>record_type</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#ac985fbb01e666f49e21eb3ac16940460">&#9670;&nbsp;</a></span>record_type</h2>
  
103 <div·class="memitem">103 <div·class="memitem">
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110 ······<table·class="memname">110 ······<table·class="memname">
111 ········<tr>111 ········<tr>
112 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordEND::record_type</td>112 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordEND::record_type</td>
113 ········</tr>113 ········</tr>
114 ······</table>114 ······</table>
115 </div><div·class="memdoc">115 </div><div·class="memdoc">
  
116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00622">622</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00622">622</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
117 </div>117 </div>
118 </div>118 </div>
119 </div><!--·contents·-->119 </div><!--·contents·-->
120 <!--·start·footer·part·-->120 <!--·start·footer·part·-->
121 <hr·class="footer"/><address·class="footer"><small>121 <hr·class="footer"/><address·class="footer"><small>
122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../dd/dbb/a08207.html">List·of·all·members</a>··</div>70 <a·href="../../dd/dbb/a08207.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TwoColoredLine·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TwoColoredLine·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../dd/d08/a01448_source.html">BALL/VIEW/PRIMITIVES/twoColoredLine.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../dc/d25/a01406_source.html">BALL/VIEW/PRIMITIVES/twoColoredLine.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::TwoColoredLine:</div>76 Inheritance·diagram·for·BALL::VIEW::TwoColoredLine:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../dd/da2/a08210.png"·usemap="#BALL::VIEW::TwoColoredLine_map"·alt=""/>79 ··<img·src="../../dd/da2/a08210.png"·usemap="#BALL::VIEW::TwoColoredLine_map"·alt=""/>
80 ··<map·id="BALL::VIEW::TwoColoredLine_map"·name="BALL::VIEW::TwoColoredLine_map">80 ··<map·id="BALL::VIEW::TwoColoredLine_map"·name="BALL::VIEW::TwoColoredLine_map">
81 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>81 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>
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245 <li>color2·-·the·color·for·the·second·vertex·of·the·line</li>245 <li>color2·-·the·color·for·the·second·vertex·of·the·line</li>
246 <li>vertex1·-·the·first·vertex·of·the·line</li>246 <li>vertex1·-·the·first·vertex·of·the·line</li>
247 <li>vertex2·-·the·second·vertex·of·the·line·<dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../dd/da2/a08210.html">TwoColoredLine</a>·is·a·line·that·is·half·colored·in·the·color·1·and·in·color·2.·The·line·is·exactly·divided·in·the·middle.·One·half·(starting·from·vertex1·til·middle·vertex)·is·colored·by·the·color1·and·the·other·half·(starting·from·middle·vertex·to·vertex2)·is·colored·by·color2.·The·class·<a·class="el"·href="../../dd/da2/a08210.html">TwoColoredLine</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>,·<a·class="el"·href="../../d6/d89/a07446.html">ColorExtension2</a>·and·<a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</dd></dl>247 <li>vertex2·-·the·second·vertex·of·the·line·<dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../dd/da2/a08210.html">TwoColoredLine</a>·is·a·line·that·is·half·colored·in·the·color·1·and·in·color·2.·The·line·is·exactly·divided·in·the·middle.·One·half·(starting·from·vertex1·til·middle·vertex)·is·colored·by·the·color1·and·the·other·half·(starting·from·middle·vertex·to·vertex2)·is·colored·by·color2.·The·class·<a·class="el"·href="../../dd/da2/a08210.html">TwoColoredLine</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>,·<a·class="el"·href="../../d6/d89/a07446.html">ColorExtension2</a>·and·<a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</dd></dl>
248 <dl·class="section·user"><dt></dt><dd></dd></dl>248 <dl·class="section·user"><dt></dt><dd></dd></dl>
249 </li>249 </li>
250 </ul>250 </ul>
  
251 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01448_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../dd/d08/a01448_source.html">twoColoredLine.h</a>.</p>251 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d25/a01406_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../dc/d25/a01406_source.html">twoColoredLine.h</a>.</p>
252 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>252 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
253 <a·id="a68e975ca75c53c63cb30ae19ebf5753b"·name="a68e975ca75c53c63cb30ae19ebf5753b"></a>253 <a·id="a68e975ca75c53c63cb30ae19ebf5753b"·name="a68e975ca75c53c63cb30ae19ebf5753b"></a>
254 <h2·class="memtitle"><span·class="permalink"><a·href="#a68e975ca75c53c63cb30ae19ebf5753b">&#9670;&nbsp;</a></span>TwoColoredLine()·<span·class="overload">[1/2]</span></h2>254 <h2·class="memtitle"><span·class="permalink"><a·href="#a68e975ca75c53c63cb30ae19ebf5753b">&#9670;&nbsp;</a></span>TwoColoredLine()·<span·class="overload">[1/2]</span></h2>
  
255 <div·class="memitem">255 <div·class="memitem">
256 <div·class="memproto">256 <div·class="memproto">
257 ······<table·class="memname">257 ······<table·class="memname">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="../../d5/dac/a08455.html">List·of·all·members</a>··</div>72 <a·href="../../d5/dac/a08455.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::BoolEditorWidget·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::BoolEditorWidget·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d7/def/a01538_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::BoolEditorWidget:</div>78 Inheritance·diagram·for·BALL::VIEW::BoolEditorWidget:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../dd/da3/a08458.png"·usemap="#BALL::VIEW::BoolEditorWidget_map"·alt=""/>81 ··<img·src="../../dd/da3/a08458.png"·usemap="#BALL::VIEW::BoolEditorWidget_map"·alt=""/>
82 ··<map·id="BALL::VIEW::BoolEditorWidget_map"·name="BALL::VIEW::BoolEditorWidget_map">82 ··<map·id="BALL::VIEW::BoolEditorWidget_map"·name="BALL::VIEW::BoolEditorWidget_map">
83 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,184,80"/>83 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,184,80"/>
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137 <tr·class="memitem:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a46403e234f863163cb9af4c8641d036b">name_</a></td></tr>137 <tr·class="memitem:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a46403e234f863163cb9af4c8641d036b">name_</a></td></tr>
138 <tr·class="separator:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>139 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>
140 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock">143 <div·class="textblock">
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00123">123</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">propertyEditor.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00123">123</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="a2f3b049556910b721cd3b1fdc10ae1bd"·name="a2f3b049556910b721cd3b1fdc10ae1bd"></a>146 <a·id="a2f3b049556910b721cd3b1fdc10ae1bd"·name="a2f3b049556910b721cd3b1fdc10ae1bd"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a2f3b049556910b721cd3b1fdc10ae1bd">&#9670;&nbsp;</a></span>BoolEditorWidget()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a2f3b049556910b721cd3b1fdc10ae1bd">&#9670;&nbsp;</a></span>BoolEditorWidget()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d3/d2f/a06207.html">List·of·all·members</a>··</div>71 <a·href="../../d3/d2f/a06207.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::BurialDepth·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::BurialDepth·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/d01/a00227_source.html">BALL/SCORING/COMPONENTS/burialDepth.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/db2/a02036_source.html">BALL/SCORING/COMPONENTS/burialDepth.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::BurialDepth:</div>77 Inheritance·diagram·for·BALL::BurialDepth:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../dd/dab/a06210.png"·usemap="#BALL::BurialDepth_map"·alt=""/>80 ··<img·src="../../dd/dab/a06210.png"·usemap="#BALL::BurialDepth_map"·alt=""/>
81 ··<map·id="BALL::BurialDepth_map"·name="BALL::BurialDepth_map">81 ··<map·id="BALL::BurialDepth_map"·name="BALL::BurialDepth_map">
82 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>82 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
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179 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>179 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>
180 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>180 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
181 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>181 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
182 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>182 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
183 </table>183 </table>
184 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>184 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
185 <div·class="textblock">185 <div·class="textblock">
186 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d01/a00227_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d9/d01/a00227_source.html">burialDepth.h</a>.</p>186 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/db2/a02036_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d7/db2/a02036_source.html">burialDepth.h</a>.</p>
187 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>187 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
188 <a·id="a5ab33214ce9ba10facba845ba93d690a"·name="a5ab33214ce9ba10facba845ba93d690a"></a>188 <a·id="a5ab33214ce9ba10facba845ba93d690a"·name="a5ab33214ce9ba10facba845ba93d690a"></a>
189 <h2·class="memtitle"><span·class="permalink"><a·href="#a5ab33214ce9ba10facba845ba93d690a">&#9670;&nbsp;</a></span>BurialDepth()</h2>189 <h2·class="memtitle"><span·class="permalink"><a·href="#a5ab33214ce9ba10facba845ba93d690a">&#9670;&nbsp;</a></span>BurialDepth()</h2>
  
190 <div·class="memitem">190 <div·class="memitem">
191 <div·class="memproto">191 <div·class="memproto">
192 ······<table·class="memname">192 ······<table·class="memname">
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8 <title>BALL:·modularWidgetPlugin.h·File·Reference</title>8 <title>BALL:·snapShotVisualisation.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_fdd4deb6e7660eceda5e61c32b248f16.html">PLUGIN</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">modularWidgetPlugin.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">snapShotVisualisation.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/VIEW/PLUGIN/VIEWPlugin.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;BALL/VIEW/UIC/ui_snapShotVisualisation.h&gt;</code><br·/>
 77 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>
76 </div>78 </div>
77 <p><a·href="../../dd/dad/a01235_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../dd/dad/a01235_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">80 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>82 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d2d/a08142.html">BALL::VIEW::ModularWidgetPlugin</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d4c/a07734.html">BALL::VIEW::SnapshotVisualisationDialog</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table><table·class="memberdecls">85 </table><table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
85 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>90 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../db/d46/a07399.html">List·of·all·members</a>··</div>72 <a·href="../../db/d46/a07399.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::TCPServer·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::TCPServer·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d1/d46/a01739_source.html">BALL/SYSTEM/networking.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dc/dce/a00740_source.html">BALL/SYSTEM/networking.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::TCPServer:</div>78 Inheritance·diagram·for·BALL::TCPServer:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../dd/db0/a07402.png"·usemap="#BALL::TCPServer_map"·alt=""/>81 ··<img·src="../../dd/db0/a07402.png"·usemap="#BALL::TCPServer_map"·alt=""/>
82 ··<map·id="BALL::TCPServer_map"·name="BALL::TCPServer_map">82 ··<map·id="BALL::TCPServer_map"·name="BALL::TCPServer_map">
83 <area·href="../../d4/d87/a07406.html"·alt="BALL::TCPServerThread"·shape="rect"·coords="0,56,267,80"/>83 <area·href="../../d4/d87/a07406.html"·alt="BALL::TCPServerThread"·shape="rect"·coords="0,56,267,80"/>
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121 <tr·class="separator:acc4a0792f3c40c7ff81093c18bd121e7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>121 <tr·class="separator:acc4a0792f3c40c7ff81093c18bd121e7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
122 </table>122 </table>
123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
124 <div·class="textblock"><p·>This·class·provides·a·base·for·very·simple·TCP-based·servers.</p>124 <div·class="textblock"><p·>This·class·provides·a·base·for·very·simple·TCP-based·servers.</p>
125 <p·>By·default,·the·server·handles·only·one·connection.·The·first·request·is·accepted·and·converted·into·a·<a·class="el"·href="../../d6/d49/a07398.html">TCPIOStream</a>.·If·restart_·is·set·to·true·(default),·the·server·listens·again·after·the·connection·has·been·terminated.</p>125 <p·>By·default,·the·server·handles·only·one·connection.·The·first·request·is·accepted·and·converted·into·a·<a·class="el"·href="../../d6/d49/a07398.html">TCPIOStream</a>.·If·restart_·is·set·to·true·(default),·the·server·listens·again·after·the·connection·has·been·terminated.</p>
126 <p·>Note·that·the·server·is·not·automatically·started·but·rather·waits·for·a·call·to·"run".·</p>126 <p·>Note·that·the·server·is·not·automatically·started·but·rather·waits·for·a·call·to·"run".·</p>
  
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128 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>128 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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71 ··<div·class="headertitle"><div·class="title">smartsMatcher.h·File·Reference</div></div>68 ··<div·class="headertitle"><div·class="title">solvation.h·File·Reference</div></div>
72 </div><!--header-->69 </div><!--header-->
73 <div·class="contents">70 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d73/a00674_source.html">BALL/STRUCTURE/smartsParser.h</a>&gt;</code><br·/>71 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/dce/a01946_source.html">BALL/SOLVATION/poissonBoltzmann.h</a>&gt;</code><br·/>
75 <code>#include·&lt;vector&gt;</code><br·/> 
76 <code>#include·&lt;set&gt;</code><br·/> 
77 <code>#include·&lt;map&gt;</code><br·/> 
78 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/> 
79 </div>72 </div>
80 <p><a·href="../../dd/db2/a00737_source.html">Go·to·the·source·code·of·this·file.</a></p>73 <p><a·href="../../dd/db2/a00737_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls"> 
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 64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
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63 <div·class="header">67 <div·class="header">
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 70 <a·href="#namespaces">Namespaces</a>··</div>
64 ··<div·class="headertitle"><div·class="title">minimization.doc·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">baseFunctor.h·File·Reference</div></div>
65 </div><!--header-->72 </div><!--header-->
66 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 75 </div>
 76 <p><a·href="../../dd/db2/a00866_source.html">Go·to·the·source·code·of·this·file.</a></p>
 77 <table·class="memberdecls">
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 79 Classes</h2></td></tr>
 80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html">BALL::UnaryFunctor&lt;·ArgumentType,·ResultType·&gt;</a></td></tr>
 81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dd5/a03214.html">BALL::BinaryFunctor&lt;·FirstArgumentType,·SecondArgumentType,·ResultType·&gt;</a></td></tr>
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 84 </table><table·class="memberdecls">
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 86 Namespaces</h2></td></tr>
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67 </div><!--·contents·-->90 </div><!--·contents·-->
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../df/dbb/a07943.html">List·of·all·members</a>··</div>71 <a·href="../../df/dbb/a07943.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ServerWidget::NotCompositeObject·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ServerWidget::NotCompositeObject·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d8/dbf/a01109_source.html">BALL/VIEW/KERNEL/serverWidget.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d2/d71/a01055_source.html">BALL/VIEW/KERNEL/serverWidget.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::ServerWidget::NotCompositeObject:</div>77 Inheritance·diagram·for·BALL::VIEW::ServerWidget::NotCompositeObject:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../dd/db3/a07946.png"·usemap="#BALL::VIEW::ServerWidget::NotCompositeObject_map"·alt=""/>80 ··<img·src="../../dd/db3/a07946.png"·usemap="#BALL::VIEW::ServerWidget::NotCompositeObject_map"·alt=""/>
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82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,283,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,283,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·><a·class="el"·href="../../dd/db3/a07946.html">NotCompositeObject</a>·<a·class="el"·href="../../de/d59/a02219.html">Exception</a>·class.·This·exeption·will·be·thrown·if·a·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·was·received·that·was·not·a·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html#a398de7f7a5d657c9a635f52d13a38c6d"·title="Default·constructor.">GeneralException</a>·<br··/>136 <div·class="textblock"><p·><a·class="el"·href="../../dd/db3/a07946.html">NotCompositeObject</a>·<a·class="el"·href="../../de/d59/a02219.html">Exception</a>·class.·This·exeption·will·be·thrown·if·a·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·was·received·that·was·not·a·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html#a398de7f7a5d657c9a635f52d13a38c6d"·title="Default·constructor.">GeneralException</a>·<br··/>
137 ·</dd></dl>137 ·</dd></dl>
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbf/a01109_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d8/dbf/a01109_source.html">serverWidget.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d71/a01055_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d2/d71/a01055_source.html">serverWidget.h</a>.</p>
139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
140 <a·id="af084265fc1ebf5162d91467353fb3e2b"·name="af084265fc1ebf5162d91467353fb3e2b"></a>140 <a·id="af084265fc1ebf5162d91467353fb3e2b"·name="af084265fc1ebf5162d91467353fb3e2b"></a>
141 <h2·class="memtitle"><span·class="permalink"><a·href="#af084265fc1ebf5162d91467353fb3e2b">&#9670;&nbsp;</a></span>NotCompositeObject()</h2>141 <h2·class="memtitle"><span·class="permalink"><a·href="#af084265fc1ebf5162d91467353fb3e2b">&#9670;&nbsp;</a></span>NotCompositeObject()</h2>
  
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
 69 <a·href="#nested-classes">Classes</a>·&#124;
69 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
70 ··<div·class="headertitle"><div·class="title">bondIterator.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">snBModel.h·File·Reference</div></div>
71 </div><!--header-->72 </div><!--header-->
72 <div·class="contents">73 <div·class="contents">
73 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d59/a20371_source.html">BALL/QSAR/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../dd/d63/a00455_source.html">BALL/QSAR/statistics.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d0/dc4/a00443_source.html">BALL/QSAR/bayesModel.h</a>&gt;</code><br·/>
74 </div>77 </div>
75 <p><a·href="../../dd/db5/a00365_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../dd/db5/a00365_source.html">Go·to·the·source·code·of·this·file.</a></p>
76 <table·class="memberdecls">79 <table·class="memberdecls">
 80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
78 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
79 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
80 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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81 </table><table·class="memberdecls"> 
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
83 Typedefs</h2></td></tr> 
84 <tr><td·colspan="2"><div·class="groupHeader">Typedefs·for·the·various·BondIterators</div></td></tr> 
85 <tr·class="memitem:a8f3171902b9408f5385b8da676f75991"><td·class="memItemLeft"·align="right"·valign="top">typedef·Atom::BondIterator&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a8f3171902b9408f5385b8da676f75991">BALL::AtomBondIterator</a></td></tr> 
86 <tr·class="separator:a8f3171902b9408f5385b8da676f75991"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 <tr·class="memitem:a5b3b1e729d7a3273f9bce1c0fd820123"><td·class="memItemLeft"·align="right"·valign="top">typedef·Atom::BondConstIterator&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a5b3b1e729d7a3273f9bce1c0fd820123">BALL::AtomBondConstIterator</a></td></tr> 
88 <tr·class="separator:a5b3b1e729d7a3273f9bce1c0fd820123"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
89 <tr·class="memitem:af0ef08b8faeba86a6595a695c3006f6d"><td·class="memItemLeft"·align="right"·valign="top">typedef·Atom::BondReverseIterator&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#af0ef08b8faeba86a6595a695c3006f6d">BALL::AtomBondReverseIterator</a></td></tr> 
90 <tr·class="separator:af0ef08b8faeba86a6595a695c3006f6d"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
91 <tr·class="memitem:a1cc4b2df7f7df599ff29bc197ae45320"><td·class="memItemLeft"·align="right"·valign="top">typedef·Atom::BondConstReverseIterator&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a1cc4b2df7f7df599ff29bc197ae45320">BALL::AtomBondConstReverseIterator</a></td></tr> 
92 <tr·class="separator:a1cc4b2df7f7df599ff29bc197ae45320"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 </table>91 </table>
94 </div><!--·contents·-->92 </div><!--·contents·-->
95 <!--·start·footer·part·-->93 <!--·start·footer·part·-->
96 <hr·class="footer"/><address·class="footer"><small>94 <hr·class="footer"/><address·class="footer"><small>
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d1/d01/a03375.html">List·of·all·members</a>··</div>70 <a·href="../../d1/d01/a03375.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::TimeStamp·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::TimeStamp·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d2/d2f/a01586_source.html">BALL/CONCEPT/timeStamp.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d8/d2d/a00815_source.html">BALL/CONCEPT/timeStamp.h</a>&gt;</code></p>
75 <table·class="memberdecls">75 <table·class="memberdecls">
76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
77 Public·Member·Functions</h2></td></tr>77 Public·Member·Functions</h2></td></tr>
78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>
79 <tr·class="memitem:ae5f4b735765638b5ddd2cfd840749931"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dbb/a03378.html#ae5f4b735765638b5ddd2cfd840749931">TimeStamp</a>·()</td></tr>79 <tr·class="memitem:ae5f4b735765638b5ddd2cfd840749931"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dbb/a03378.html#ae5f4b735765638b5ddd2cfd840749931">TimeStamp</a>·()</td></tr>
80 <tr·class="separator:ae5f4b735765638b5ddd2cfd840749931"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:ae5f4b735765638b5ddd2cfd840749931"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a4a53377b72461a0d27b788b032133e8f"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dbb/a03378.html#a4a53377b72461a0d27b788b032133e8f">~TimeStamp</a>·()</td></tr>81 <tr·class="memitem:a4a53377b72461a0d27b788b032133e8f"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dbb/a03378.html#a4a53377b72461a0d27b788b032133e8f">~TimeStamp</a>·()</td></tr>
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110 <tr·class="separator:a1243acadfd7815ccab4fc969d49a96a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>110 <tr·class="separator:a1243acadfd7815ccab4fc969d49a96a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
111 <tr·class="memitem:a4ce61268e6ff4724a12ad899d94cd39c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dbb/a03378.html#a4ce61268e6ff4724a12ad899d94cd39c">read</a>·(<a·class="el"·href="../../d7/d2e/a03310.html">PersistenceManager</a>·&amp;pm)</td></tr>111 <tr·class="memitem:a4ce61268e6ff4724a12ad899d94cd39c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dbb/a03378.html#a4ce61268e6ff4724a12ad899d94cd39c">read</a>·(<a·class="el"·href="../../d7/d2e/a03310.html">PersistenceManager</a>·&amp;pm)</td></tr>
112 <tr·class="separator:a4ce61268e6ff4724a12ad899d94cd39c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>112 <tr·class="separator:a4ce61268e6ff4724a12ad899d94cd39c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
113 </table>113 </table>
114 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>114 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
115 <div·class="textblock"><p·>Time·stamp·concept.·This·class·implements·a·so-called·time·stamp.·It·is·used·to·store·modification·or·creation·times·of·objects.·<b>Interface:</b>·<code>Storable</code>·</p><dl·class="section·user"><dt></dt><dd></dd></dl>115 <div·class="textblock"><p·>Time·stamp·concept.·This·class·implements·a·so-called·time·stamp.·It·is·used·to·store·modification·or·creation·times·of·objects.·<b>Interface:</b>·<code>Storable</code>·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d2f/a01586_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../d2/d2f/a01586_source.html">timeStamp.h</a>.</p>116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d2d/a00815_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../d8/d2d/a00815_source.html">timeStamp.h</a>.</p>
117 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>117 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
118 <a·id="ae5f4b735765638b5ddd2cfd840749931"·name="ae5f4b735765638b5ddd2cfd840749931"></a>118 <a·id="ae5f4b735765638b5ddd2cfd840749931"·name="ae5f4b735765638b5ddd2cfd840749931"></a>
119 <h2·class="memtitle"><span·class="permalink"><a·href="#ae5f4b735765638b5ddd2cfd840749931">&#9670;&nbsp;</a></span>TimeStamp()</h2>119 <h2·class="memtitle"><span·class="permalink"><a·href="#ae5f4b735765638b5ddd2cfd840749931">&#9670;&nbsp;</a></span>TimeStamp()</h2>
  
120 <div·class="memitem">120 <div·class="memitem">
121 <div·class="memproto">121 <div·class="memproto">
122 ······<table·class="memname">122 ······<table·class="memname">
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418 ··<td·class="mlabels-right">418 ··<td·class="mlabels-right">
419 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>419 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
420 ··</tr>420 ··</tr>
421 </table>421 </table>
422 </div><div·class="memdoc">422 </div><div·class="memdoc">
423 <p·>The·time·stamp.·</p>423 <p·>The·time·stamp.·</p>
  
424 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d2f/a01586_source.html#l00272">272</a>·of·file·<a·class="el"·href="../../d2/d2f/a01586_source.html">timeStamp.h</a>.</p>424 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d2d/a00815_source.html#l00272">272</a>·of·file·<a·class="el"·href="../../d8/d2d/a00815_source.html">timeStamp.h</a>.</p>
  
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426 </div>426 </div>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">nonpolarSolvation.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">line3.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/dc8/a00242_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d9/d0d/a01748_source.html">BALL/SOLVATION/uhligCavFreeEnergyProcessor.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d9/d37/a01754_source.html">BALL/SOLVATION/PCMCavFreeEnergyProcessor.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d9/d27/a01763_source.html">BALL/SOLVATION/pair6_12InteractionEnergyProcessor.h</a>&gt;</code><br·/> 
79 </div>76 </div>
80 <p><a·href="../../dd/dc1/a00212_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../dd/dc1/a00212_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls">78 <table·class="memberdecls">
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
83 Classes</h2></td></tr>80 Classes</h2></td></tr>
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/ded/a06314.html">BALL::NonpolarSolvation</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/daa/a04862.html">BALL::TLine3&lt;·T·&gt;</a></td></tr>
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d84/a06318.html">BALL::NonpolarSolvation::Option</a></td></tr> 
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d62/a06322.html">BALL::NonpolarSolvation::Default</a></td></tr> 
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls">83 </table><table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
92 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 88 </table><table·class="memberdecls">
 89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Storers</h2></td></tr>
 90 <tr·class="memitem:ga3777f89390952c2d8e760c1d84df8d5f"><td·class="memItemLeft"·align="right"·valign="top">typedef·TLine3&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga3777f89390952c2d8e760c1d84df8d5f">BALL::Line3</a></td></tr>
 91 <tr·class="separator:ga3777f89390952c2d8e760c1d84df8d5f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 92 <tr·class="memitem:ga723eeb0a794fb25edf492bd37bf78243"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr>
 93 <tr·class="memitem:ga723eeb0a794fb25edf492bd37bf78243"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga723eeb0a794fb25edf492bd37bf78243">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·TLine3&lt;·T·&gt;·&amp;line)</td></tr>
 94 <tr·class="separator:ga723eeb0a794fb25edf492bd37bf78243"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 <tr·class="memitem:gac5568e56795faccf490a92f96a120407"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr>
 96 <tr·class="memitem:gac5568e56795faccf490a92f96a120407"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gac5568e56795faccf490a92f96a120407">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·TLine3&lt;·T·&gt;·&amp;line)</td></tr>
 97 <tr·class="separator:gac5568e56795faccf490a92f96a120407"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table>98 </table>
96 </div><!--·contents·-->99 </div><!--·contents·-->
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../de/d9e/a04459.html">List·of·all·members</a>··</div>70 <a·href="../../de/d9e/a04459.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::XYZFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::XYZFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/FORMAT/XYZFile.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d7/dd4/a00968_source.html">BALL/FORMAT/XYZFile.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::XYZFile:</div>76 Inheritance·diagram·for·BALL::XYZFile:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../dd/dc6/a04462.png"·usemap="#BALL::XYZFile_map"·alt=""/>79 ··<img·src="../../dd/dc6/a04462.png"·usemap="#BALL::XYZFile_map"·alt=""/>
80 ··<map·id="BALL::XYZFile_map"·name="BALL::XYZFile_map">80 ··<map·id="BALL::XYZFile_map"·name="BALL::XYZFile_map">
81 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>81 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>
Offset 385, 15 lines modifiedOffset 385, 15 lines modified
385 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>385 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>
386 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>386 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
387 </table>387 </table>
388 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>388 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
389 <div·class="textblock"><p·>XYZ·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·XMol·XYZ·files.·The·XYZ·format·is·a·very·simple·molecular·file·format.·In·general·it·contains·only·the·atom·type·(i.e.,·the·element)·and·the·cartesian·coordinates·of·the·structure.·Newer·versions·of·this·file·format·also·contain·bonds·(without·bond·order)·and·atom·names.</p><dl·class="section·user"><dt></dt><dd>The·first·line·of·each·XYZ·file·contains·a·single·integer·number:·the·number·of·atoms·in·the·file.·The·second·line·is·just·a·comment·line.·When·reading·a·XYZ·file,·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·stores·this·comment·as·the·name·attribute·of·the·system·read.·Similarly,·on·writing·the·system,·it's·name·is·written·to·this·comment·line.·All·remaining·lines·contain·the·element·symbol·and·the·three·coordinates·in·free·format.·</dd></dl>389 <div·class="textblock"><p·>XYZ·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·XMol·XYZ·files.·The·XYZ·format·is·a·very·simple·molecular·file·format.·In·general·it·contains·only·the·atom·type·(i.e.,·the·element)·and·the·cartesian·coordinates·of·the·structure.·Newer·versions·of·this·file·format·also·contain·bonds·(without·bond·order)·and·atom·names.</p><dl·class="section·user"><dt></dt><dd>The·first·line·of·each·XYZ·file·contains·a·single·integer·number:·the·number·of·atoms·in·the·file.·The·second·line·is·just·a·comment·line.·When·reading·a·XYZ·file,·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·stores·this·comment·as·the·name·attribute·of·the·system·read.·Similarly,·on·writing·the·system,·it's·name·is·written·to·this·comment·line.·All·remaining·lines·contain·the·element·symbol·and·the·three·coordinates·in·free·format.·</dd></dl>
390 <dl·class="section·user"><dt></dt><dd></dd></dl>390 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
391 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc2/a00104_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d0/dc2/a00104_source.html">XYZFile.h</a>.</p>391 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dd4/a00968_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d7/dd4/a00968_source.html">XYZFile.h</a>.</p>
392 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>392 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
393 <a·id="a9db672ddf5fc263305d9a0e35a756f2f"·name="a9db672ddf5fc263305d9a0e35a756f2f"></a>393 <a·id="a9db672ddf5fc263305d9a0e35a756f2f"·name="a9db672ddf5fc263305d9a0e35a756f2f"></a>
394 <h2·class="memtitle"><span·class="permalink"><a·href="#a9db672ddf5fc263305d9a0e35a756f2f">&#9670;&nbsp;</a></span>XYZFile()·<span·class="overload">[1/2]</span></h2>394 <h2·class="memtitle"><span·class="permalink"><a·href="#a9db672ddf5fc263305d9a0e35a756f2f">&#9670;&nbsp;</a></span>XYZFile()·<span·class="overload">[1/2]</span></h2>
  
395 <div·class="memitem">395 <div·class="memitem">
396 <div·class="memproto">396 <div·class="memproto">
397 ······<table·class="memname">397 ······<table·class="memname">
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496 ··</td>496 ··</td>
497 ··<td·class="mlabels-right">497 ··<td·class="mlabels-right">
498 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>498 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
499 ··</tr>499 ··</tr>
500 </table>500 </table>
501 </div><div·class="memdoc">501 </div><div·class="memdoc">
  
502 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc2/a00104_source.html#l00090">90</a>·of·file·<a·class="el"·href="../../d0/dc2/a00104_source.html">XYZFile.h</a>.</p>502 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dd4/a00968_source.html#l00090">90</a>·of·file·<a·class="el"·href="../../d7/dd4/a00968_source.html">XYZFile.h</a>.</p>
  
503 </div>503 </div>
504 </div>504 </div>
505 <a·id="a40c59416e3207fb47383c1db9926f09f"·name="a40c59416e3207fb47383c1db9926f09f"></a>505 <a·id="a40c59416e3207fb47383c1db9926f09f"·name="a40c59416e3207fb47383c1db9926f09f"></a>
506 <h2·class="memtitle"><span·class="permalink"><a·href="#a40c59416e3207fb47383c1db9926f09f">&#9670;&nbsp;</a></span>read()·<span·class="overload">[1/2]</span></h2>506 <h2·class="memtitle"><span·class="permalink"><a·href="#a40c59416e3207fb47383c1db9926f09f">&#9670;&nbsp;</a></span>read()·<span·class="overload">[1/2]</span></h2>
  
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../dc/dfb/a07087.html">List·of·all·members</a>··</div>71 <a·href="../../dc/dfb/a07087.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::RGroupAssembler·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::RGroupAssembler·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d2c/a00764_source.html">BALL/STRUCTURE/rGroupAssembler.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d3d/a01784_source.html">BALL/STRUCTURE/rGroupAssembler.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:a70c391f86a996d8afeddb997a4c3d489"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd2/a07090.html#a70c391f86a996d8afeddb997a4c3d489">RGroupAssembler</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;scaffold,·std::map&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·std::vector&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·&gt;·&amp;rgroups)</td></tr>79 <tr·class="memitem:a70c391f86a996d8afeddb997a4c3d489"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd2/a07090.html#a70c391f86a996d8afeddb997a4c3d489">RGroupAssembler</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;scaffold,·std::map&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·std::vector&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·&gt;·&amp;rgroups)</td></tr>
80 <tr·class="separator:a70c391f86a996d8afeddb997a4c3d489"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a70c391f86a996d8afeddb997a4c3d489"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a8742149f65e6dee5b2deb09aefa30d29"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd2/a07090.html#a8742149f65e6dee5b2deb09aefa30d29">RGroupAssembler</a>·(std::vector&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·&amp;scaffolds,·std::map&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·std::vector&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·&gt;·&amp;rgroups)</td></tr>81 <tr·class="memitem:a8742149f65e6dee5b2deb09aefa30d29"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd2/a07090.html#a8742149f65e6dee5b2deb09aefa30d29">RGroupAssembler</a>·(std::vector&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·&amp;scaffolds,·std::map&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·std::vector&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·&gt;·&amp;rgroups)</td></tr>
82 <tr·class="separator:a8742149f65e6dee5b2deb09aefa30d29"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a8742149f65e6dee5b2deb09aefa30d29"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:aa4b332dbc7b815b8d619207caeb6b17d"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd2/a07090.html#aa4b332dbc7b815b8d619207caeb6b17d">~RGroupAssembler</a>·()</td></tr>83 <tr·class="memitem:aa4b332dbc7b815b8d619207caeb6b17d"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd2/a07090.html#aa4b332dbc7b815b8d619207caeb6b17d">~RGroupAssembler</a>·()</td></tr>
84 <tr·class="separator:aa4b332dbc7b815b8d619207caeb6b17d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:aa4b332dbc7b815b8d619207caeb6b17d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 <tr·class="memitem:ac33529682be7fcbe61b3c7a5dfef09af"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d9/d73/a04542.html">Molecule</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd2/a07090.html#ac33529682be7fcbe61b3c7a5dfef09af">generateNextMolecule</a>·()</td></tr>85 <tr·class="memitem:ac33529682be7fcbe61b3c7a5dfef09af"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d9/d73/a04542.html">Molecule</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd2/a07090.html#ac33529682be7fcbe61b3c7a5dfef09af">generateNextMolecule</a>·()</td></tr>
86 <tr·class="separator:ac33529682be7fcbe61b3c7a5dfef09af"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:ac33529682be7fcbe61b3c7a5dfef09af"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table>87 </table>
88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
89 <div·class="textblock">89 <div·class="textblock">
90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d2c/a00764_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d3/d2c/a00764_source.html">rGroupAssembler.h</a>.</p>90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d3d/a01784_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d6/d3d/a01784_source.html">rGroupAssembler.h</a>.</p>
91 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>91 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
92 <a·id="a70c391f86a996d8afeddb997a4c3d489"·name="a70c391f86a996d8afeddb997a4c3d489"></a>92 <a·id="a70c391f86a996d8afeddb997a4c3d489"·name="a70c391f86a996d8afeddb997a4c3d489"></a>
93 <h2·class="memtitle"><span·class="permalink"><a·href="#a70c391f86a996d8afeddb997a4c3d489">&#9670;&nbsp;</a></span>RGroupAssembler()·<span·class="overload">[1/2]</span></h2>93 <h2·class="memtitle"><span·class="permalink"><a·href="#a70c391f86a996d8afeddb997a4c3d489">&#9670;&nbsp;</a></span>RGroupAssembler()·<span·class="overload">[1/2]</span></h2>
  
94 <div·class="memitem">94 <div·class="memitem">
95 <div·class="memproto">95 <div·class="memproto">
96 ······<table·class="memname">96 ······<table·class="memname">
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72 ··<div·class="headertitle"><div·class="title">BALL::AromaticityProcessor::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::AromaticityProcessor::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../dd/dd6/a05602.html"·title="Option·names.">Option</a>·names.··75 <p><a·class="el"·href="../../dd/dd6/a05602.html"·title="Option·names.">Option</a>·names.··
76 ·<a·href="../../dd/dd6/a05602.html#details">More...</a></p>76 ·<a·href="../../dd/dd6/a05602.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d3/d67/a01958_source.html">BALL/QSAR/aromaticityProcessor.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../df/d15/a00416_source.html">BALL/QSAR/aromaticityProcessor.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
80 Static·Public·Attributes</h2></td></tr>80 Static·Public·Attributes</h2></td></tr>
81 <tr·class="memitem:a547eaefd5e812ae1a93e38e8da0e1164"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd6/a05602.html#a547eaefd5e812ae1a93e38e8da0e1164">OVERWRITE_BOND_ORDERS</a></td></tr>81 <tr·class="memitem:a547eaefd5e812ae1a93e38e8da0e1164"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd6/a05602.html#a547eaefd5e812ae1a93e38e8da0e1164">OVERWRITE_BOND_ORDERS</a></td></tr>
82 <tr·class="separator:a547eaefd5e812ae1a93e38e8da0e1164"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a547eaefd5e812ae1a93e38e8da0e1164"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock"><p·><a·class="el"·href="../../dd/dd6/a05602.html"·title="Option·names.">Option</a>·names.·</p>85 <div·class="textblock"><p·><a·class="el"·href="../../dd/dd6/a05602.html"·title="Option·names.">Option</a>·names.·</p>
  
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d67/a01958_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d3/d67/a01958_source.html">aromaticityProcessor.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d15/a00416_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../df/d15/a00416_source.html">aromaticityProcessor.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="a547eaefd5e812ae1a93e38e8da0e1164"·name="a547eaefd5e812ae1a93e38e8da0e1164"></a>88 <a·id="a547eaefd5e812ae1a93e38e8da0e1164"·name="a547eaefd5e812ae1a93e38e8da0e1164"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#a547eaefd5e812ae1a93e38e8da0e1164">&#9670;&nbsp;</a></span>OVERWRITE_BOND_ORDERS</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#a547eaefd5e812ae1a93e38e8da0e1164">&#9670;&nbsp;</a></span>OVERWRITE_BOND_ORDERS</h2>
  
90 <div·class="memitem">90 <div·class="memitem">
91 <div·class="memproto">91 <div·class="memproto">
92 <table·class="mlabels">92 <table·class="mlabels">
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105 ··<td·class="mlabels-right">105 ··<td·class="mlabels-right">
106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
107 ··</tr>107 ··</tr>
108 </table>108 </table>
109 </div><div·class="memdoc">109 </div><div·class="memdoc">
110 <p·>overwrite·bond·orders·or·storing·the·bond·order·as·a·property·</p>110 <p·>overwrite·bond·orders·or·storing·the·bond·order·as·a·property·</p>
  
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d67/a01958_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d3/d67/a01958_source.html">aromaticityProcessor.h</a>.</p>111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d15/a00416_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../df/d15/a00416_source.html">aromaticityProcessor.h</a>.</p>
  
112 </div>112 </div>
113 </div>113 </div>
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79 </div>76 </div>
80 <p><a·href="../../dd/dd7/a00248_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../dd/dd7/a00248_source.html">Go·to·the·source·code·of·this·file.</a></p>
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74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../dc/d2c/a00893_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/> 
76 </div>76 </div>
77 <p><a·href="../../dd/dd7/a00260_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../dd/dd7/a00260_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
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82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table><table·class="memberdecls">85 </table><table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
85 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 </table><table·class="memberdecls">
 91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
 92 Typedefs</h2></td></tr>
 93 <tr·class="memitem:gaa84e6d848adb90d3b7014c41c6e6e8e9"><td·class="memItemLeft"·align="right"·valign="top">typedef·TSurface&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d38/a02166.html#gaa84e6d848adb90d3b7014c41c6e6e8e9">BALL::Surface</a></td></tr>
 94 <tr·class="separator:gaa84e6d848adb90d3b7014c41c6e6e8e9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>95 </table>
89 </div><!--·contents·-->96 </div><!--·contents·-->
90 <!--·start·footer·part·-->97 <!--·start·footer·part·-->
91 <hr·class="footer"/><address·class="footer"><small>98 <hr·class="footer"/><address·class="footer"><small>
92 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.499 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d8/d46/a06971.html">List·of·all·members</a>··</div>71 <a·href="../../d8/d46/a06971.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::LogP·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::LogP·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d2/ddd/a00755_source.html">BALL/STRUCTURE/logP.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/dfb/a01874_source.html">BALL/STRUCTURE/logP.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:a77add605d628cae23f3dbbcc894ee974"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd7/a06974.html#a77add605d628cae23f3dbbcc894ee974">LogP</a>·()</td></tr>79 <tr·class="memitem:a77add605d628cae23f3dbbcc894ee974"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd7/a06974.html#a77add605d628cae23f3dbbcc894ee974">LogP</a>·()</td></tr>
80 <tr·class="separator:a77add605d628cae23f3dbbcc894ee974"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a77add605d628cae23f3dbbcc894ee974"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a76fab78f5d4211465f5099c5444501db"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd7/a06974.html#a76fab78f5d4211465f5099c5444501db">~LogP</a>·()</td></tr>81 <tr·class="memitem:a76fab78f5d4211465f5099c5444501db"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd7/a06974.html#a76fab78f5d4211465f5099c5444501db">~LogP</a>·()</td></tr>
82 <tr·class="separator:a76fab78f5d4211465f5099c5444501db"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a76fab78f5d4211465f5099c5444501db"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:ac2652dd8ae4d2bd1b466d5125febc67e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd7/a06974.html#ac2652dd8ae4d2bd1b466d5125febc67e">calculate</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;usmile)</td></tr>83 <tr·class="memitem:ac2652dd8ae4d2bd1b466d5125febc67e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd7/a06974.html#ac2652dd8ae4d2bd1b466d5125febc67e">calculate</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;usmile)</td></tr>
84 <tr·class="separator:ac2652dd8ae4d2bd1b466d5125febc67e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:ac2652dd8ae4d2bd1b466d5125febc67e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock"><p·>Class·for·calculation·of·the·Octonal/Water·partition·coefficient.<br··/>87 <div·class="textblock"><p·>Class·for·calculation·of·the·Octonal/Water·partition·coefficient.<br··/>
88 Based·on·Wildman·and·Crippen,·J.·Chem.·Inf.·Comput.·Sci.·1999,·39,·868-873·</p>88 Based·on·Wildman·and·Crippen,·J.·Chem.·Inf.·Comput.·Sci.·1999,·39,·868-873·</p>
  
89 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/ddd/a00755_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../d2/ddd/a00755_source.html">logP.h</a>.</p>89 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dfb/a01874_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../de/dfb/a01874_source.html">logP.h</a>.</p>
90 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>90 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
91 <a·id="a77add605d628cae23f3dbbcc894ee974"·name="a77add605d628cae23f3dbbcc894ee974"></a>91 <a·id="a77add605d628cae23f3dbbcc894ee974"·name="a77add605d628cae23f3dbbcc894ee974"></a>
92 <h2·class="memtitle"><span·class="permalink"><a·href="#a77add605d628cae23f3dbbcc894ee974">&#9670;&nbsp;</a></span>LogP()</h2>92 <h2·class="memtitle"><span·class="permalink"><a·href="#a77add605d628cae23f3dbbcc894ee974">&#9670;&nbsp;</a></span>LogP()</h2>
  
93 <div·class="memitem">93 <div·class="memitem">
94 <div·class="memproto">94 <div·class="memproto">
95 ······<table·class="memname">95 ······<table·class="memname">
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../dc/d27/a05799.html">List·of·all·members</a>··</div>70 <a·href="../../dc/d27/a05799.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::TotalNegativePartialCharge·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::TotalNegativePartialCharge·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d2/d3d/a01982_source.html">BALL/QSAR/partialChargeDescriptors.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../de/dd7/a00362_source.html">BALL/QSAR/partialChargeDescriptors.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::TotalNegativePartialCharge:</div>76 Inheritance·diagram·for·BALL::TotalNegativePartialCharge:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../dd/dd9/a05802.png"·usemap="#BALL::TotalNegativePartialCharge_map"·alt=""/>79 ··<img·src="../../dd/dd9/a05802.png"·usemap="#BALL::TotalNegativePartialCharge_map"·alt=""/>
80 ··<map·id="BALL::TotalNegativePartialCharge_map"·name="BALL::TotalNegativePartialCharge_map">80 ··<map·id="BALL::TotalNegativePartialCharge_map"·name="BALL::TotalNegativePartialCharge_map">
81 <area·href="../../d4/dc2/a05794.html"·alt="BALL::PartialChargeBase"·shape="rect"·coords="0,168,341,192"/>81 <area·href="../../d4/dc2/a05794.html"·alt="BALL::PartialChargeBase"·shape="rect"·coords="0,168,341,192"/>
Offset 176, 15 lines modifiedOffset 176, 15 lines modified
176 <tr·class="inherit_header·pro_attribs_a05794"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a05794')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d4/dc2/a05794.html">BALL::PartialChargeBase</a></td></tr>176 <tr·class="inherit_header·pro_attribs_a05794"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a05794')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d4/dc2/a05794.html">BALL::PartialChargeBase</a></td></tr>
177 <tr·class="memitem:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc2/a05794.html#a9f9a683d15b8d2e2aafddb9d0d31616c">data_folder_</a></td></tr>177 <tr·class="memitem:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc2/a05794.html#a9f9a683d15b8d2e2aafddb9d0d31616c">data_folder_</a></td></tr>
178 <tr·class="separator:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"><td·class="memSeparator"·colspan="2">&#160;</td></tr>178 <tr·class="separator:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
179 </table>179 </table>
180 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>180 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
181 <div·class="textblock"><p·>This·descriptor·adds·up·all·negative·partial·charges·over·all·atoms.·</p>181 <div·class="textblock"><p·>This·descriptor·adds·up·all·negative·partial·charges·over·all·atoms.·</p>
  
182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d3d/a01982_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d2/d3d/a01982_source.html">partialChargeDescriptors.h</a>.</p>182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dd7/a00362_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../de/dd7/a00362_source.html">partialChargeDescriptors.h</a>.</p>
183 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>183 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
184 <a·id="a76a88a079d838d97e9b6ac41f05a45ed"·name="a76a88a079d838d97e9b6ac41f05a45ed"></a>184 <a·id="a76a88a079d838d97e9b6ac41f05a45ed"·name="a76a88a079d838d97e9b6ac41f05a45ed"></a>
185 <h2·class="memtitle"><span·class="permalink"><a·href="#a76a88a079d838d97e9b6ac41f05a45ed">&#9670;&nbsp;</a></span>TotalNegativePartialCharge()·<span·class="overload">[1/2]</span></h2>185 <h2·class="memtitle"><span·class="permalink"><a·href="#a76a88a079d838d97e9b6ac41f05a45ed">&#9670;&nbsp;</a></span>TotalNegativePartialCharge()·<span·class="overload">[1/2]</span></h2>
  
186 <div·class="memitem">186 <div·class="memitem">
187 <div·class="memproto">187 <div·class="memproto">
188 ······<table·class="memname">188 ······<table·class="memname">
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73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
75 <a·href="../../dd/d3c/a03735.html">List·of·all·members</a>··</div>75 <a·href="../../dd/d3c/a03735.html">List·of·all·members</a>··</div>
76 ··<div·class="headertitle"><div·class="title">BALL::EvolutionaryDocking·Class·Reference</div></div>76 ··<div·class="headertitle"><div·class="title">BALL::EvolutionaryDocking·Class·Reference</div></div>
77 </div><!--header-->77 </div><!--header-->
78 <div·class="contents">78 <div·class="contents">
  
79 <p><code>#include·&lt;<a·class="el"·href="../../d5/d0f/a00494_source.html">BALL/DOCKING/GENETICDOCK/evolutionaryDocking.h</a>&gt;</code></p>79 <p><code>#include·&lt;<a·class="el"·href="../../d6/d83/a01544_source.html">BALL/DOCKING/GENETICDOCK/evolutionaryDocking.h</a>&gt;</code></p>
80 <div·class="dynheader">80 <div·class="dynheader">
81 Inheritance·diagram·for·BALL::EvolutionaryDocking:</div>81 Inheritance·diagram·for·BALL::EvolutionaryDocking:</div>
82 <div·class="dyncontent">82 <div·class="dyncontent">
83 ·<div·class="center">83 ·<div·class="center">
84 ··<img·src="../../dd/ddd/a03738.png"·usemap="#BALL::EvolutionaryDocking_map"·alt=""/>84 ··<img·src="../../dd/ddd/a03738.png"·usemap="#BALL::EvolutionaryDocking_map"·alt=""/>
85 ··<map·id="BALL::EvolutionaryDocking_map"·name="BALL::EvolutionaryDocking_map">85 ··<map·id="BALL::EvolutionaryDocking_map"·name="BALL::EvolutionaryDocking_map">
86 <area·href="../../d2/db1/a03646.html"·alt="BALL::DockingAlgorithm"·shape="rect"·coords="0,0,166,24"/>86 <area·href="../../d2/db1/a03646.html"·alt="BALL::DockingAlgorithm"·shape="rect"·coords="0,0,166,24"/>
Offset 271, 15 lines modifiedOffset 271, 15 lines modified
271 <tr·class="inherit_header·pro_static_methods_a03646"><td·colspan="2"·onclick="javascript:toggleInherit('pro_static_methods_a03646')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d2/db1/a03646.html">BALL::DockingAlgorithm</a></td></tr>271 <tr·class="inherit_header·pro_static_methods_a03646"><td·colspan="2"·onclick="javascript:toggleInherit('pro_static_methods_a03646')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d2/db1/a03646.html">BALL::DockingAlgorithm</a></td></tr>
272 <tr·class="memitem:ad53fd4ab10218b9221d11b9d72fa13b1·inherit·pro_static_methods_a03646"><td·class="memItemLeft"·align="right"·valign="top">static·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/db1/a03646.html#ad53fd4ab10218b9221d11b9d72fa13b1">writeSubcategories_</a>·(<a·class="el"·href="../../d0/d31/a03558.html">Options</a>·&amp;category,·std::ostream·&amp;out)</td></tr>272 <tr·class="memitem:ad53fd4ab10218b9221d11b9d72fa13b1·inherit·pro_static_methods_a03646"><td·class="memItemLeft"·align="right"·valign="top">static·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/db1/a03646.html#ad53fd4ab10218b9221d11b9d72fa13b1">writeSubcategories_</a>·(<a·class="el"·href="../../d0/d31/a03558.html">Options</a>·&amp;category,·std::ostream·&amp;out)</td></tr>
273 <tr·class="separator:ad53fd4ab10218b9221d11b9d72fa13b1·inherit·pro_static_methods_a03646"><td·class="memSeparator"·colspan="2">&#160;</td></tr>273 <tr·class="separator:ad53fd4ab10218b9221d11b9d72fa13b1·inherit·pro_static_methods_a03646"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
274 </table>274 </table>
275 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>275 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
276 <div·class="textblock"><p·>class·<a·class="el"·href="../../dd/ddd/a03738.html">EvolutionaryDocking</a>·This·class·is·derived·from·class·<a·class="el"·href="../../d2/db1/a03646.html">DockingAlgorithm</a>.·small·ligand·docking·algorithm·via·a·genetic·Algorithm.·</p>276 <div·class="textblock"><p·>class·<a·class="el"·href="../../dd/ddd/a03738.html">EvolutionaryDocking</a>·This·class·is·derived·from·class·<a·class="el"·href="../../d2/db1/a03646.html">DockingAlgorithm</a>.·small·ligand·docking·algorithm·via·a·genetic·Algorithm.·</p>
  
277 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00494_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d5/d0f/a00494_source.html">evolutionaryDocking.h</a>.</p>277 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d83/a01544_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d6/d83/a01544_source.html">evolutionaryDocking.h</a>.</p>
278 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>278 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
279 <a·id="afb7499d3f2d3640c479905e7171f6fe1"·name="afb7499d3f2d3640c479905e7171f6fe1"></a>279 <a·id="afb7499d3f2d3640c479905e7171f6fe1"·name="afb7499d3f2d3640c479905e7171f6fe1"></a>
280 <h2·class="memtitle"><span·class="permalink"><a·href="#afb7499d3f2d3640c479905e7171f6fe1">&#9670;&nbsp;</a></span>EvolutionaryDocking()·<span·class="overload">[1/2]</span></h2>280 <h2·class="memtitle"><span·class="permalink"><a·href="#afb7499d3f2d3640c479905e7171f6fe1">&#9670;&nbsp;</a></span>EvolutionaryDocking()·<span·class="overload">[1/2]</span></h2>
  
281 <div·class="memitem">281 <div·class="memitem">
282 <div·class="memproto">282 <div·class="memproto">
283 ······<table·class="memname">283 ······<table·class="memname">
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714 ··<td·class="mlabels-right">714 ··<td·class="mlabels-right">
715 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>715 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
716 ··</tr>716 ··</tr>
717 </table>717 </table>
718 </div><div·class="memdoc">718 </div><div·class="memdoc">
719 <p·>mapping·class·for·docking·</p>719 <p·>mapping·class·for·docking·</p>
  
720 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00494_source.html#l00129">129</a>·of·file·<a·class="el"·href="../../d5/d0f/a00494_source.html">evolutionaryDocking.h</a>.</p>720 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d83/a01544_source.html#l00129">129</a>·of·file·<a·class="el"·href="../../d6/d83/a01544_source.html">evolutionaryDocking.h</a>.</p>
  
721 </div>721 </div>
722 </div>722 </div>
723 <a·id="a85c967c699d06fe032e4b70db25d4eba"·name="a85c967c699d06fe032e4b70db25d4eba"></a>723 <a·id="a85c967c699d06fe032e4b70db25d4eba"·name="a85c967c699d06fe032e4b70db25d4eba"></a>
724 <h2·class="memtitle"><span·class="permalink"><a·href="#a85c967c699d06fe032e4b70db25d4eba">&#9670;&nbsp;</a></span>ga_</h2>724 <h2·class="memtitle"><span·class="permalink"><a·href="#a85c967c699d06fe032e4b70db25d4eba">&#9670;&nbsp;</a></span>ga_</h2>
  
725 <div·class="memitem">725 <div·class="memitem">
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739 ··<td·class="mlabels-right">739 ··<td·class="mlabels-right">
740 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>740 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
741 ··</tr>741 ··</tr>
742 </table>742 </table>
743 </div><div·class="memdoc">743 </div><div·class="memdoc">
744 <p·>optimization·method·</p>744 <p·>optimization·method·</p>
  
745 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00494_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../d5/d0f/a00494_source.html">evolutionaryDocking.h</a>.</p>745 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d83/a01544_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../d6/d83/a01544_source.html">evolutionaryDocking.h</a>.</p>
  
746 </div>746 </div>
747 </div>747 </div>
748 <a·id="a7339e969afe9c0c0c71d9f27148c1104"·name="a7339e969afe9c0c0c71d9f27148c1104"></a>748 <a·id="a7339e969afe9c0c0c71d9f27148c1104"·name="a7339e969afe9c0c0c71d9f27148c1104"></a>
749 <h2·class="memtitle"><span·class="permalink"><a·href="#a7339e969afe9c0c0c71d9f27148c1104">&#9670;&nbsp;</a></span>reference_center_</h2>749 <h2·class="memtitle"><span·class="permalink"><a·href="#a7339e969afe9c0c0c71d9f27148c1104">&#9670;&nbsp;</a></span>reference_center_</h2>
  
750 <div·class="memitem">750 <div·class="memitem">
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764 ··<td·class="mlabels-right">764 ··<td·class="mlabels-right">
765 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>765 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
766 ··</tr>766 ··</tr>
767 </table>767 </table>
768 </div><div·class="memdoc">768 </div><div·class="memdoc">
769 <p·>the·geometrical·center·of·the·reference·ligand·</p>769 <p·>the·geometrical·center·of·the·reference·ligand·</p>
  
770 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00494_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../d5/d0f/a00494_source.html">evolutionaryDocking.h</a>.</p>770 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d83/a01544_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../d6/d83/a01544_source.html">evolutionaryDocking.h</a>.</p>
  
771 </div>771 </div>
772 </div>772 </div>
773 </div><!--·contents·-->773 </div><!--·contents·-->
774 <!--·start·footer·part·-->774 <!--·start·footer·part·-->
775 <hr·class="footer"/><address·class="footer"><small>775 <hr·class="footer"/><address·class="footer"><small>
776 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4776 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../d5/d2f/a08331.html">List·of·all·members</a>··</div>72 <a·href="../../d5/d2f/a08331.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RenderToBufferFinishedEvent·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RenderToBufferFinishedEvent·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d9/d5b/a01127_source.html">BALL/VIEW/RENDERING/renderSetup.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d2/d9b/a01433_source.html">BALL/VIEW/RENDERING/renderSetup.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::RenderToBufferFinishedEvent:</div>78 Inheritance·diagram·for·BALL::VIEW::RenderToBufferFinishedEvent:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../dd/ddf/a08334.png"·usemap="#BALL::VIEW::RenderToBufferFinishedEvent_map"·alt=""/>81 ··<img·src="../../dd/ddf/a08334.png"·usemap="#BALL::VIEW::RenderToBufferFinishedEvent_map"·alt=""/>
82 ··<map·id="BALL::VIEW::RenderToBufferFinishedEvent_map"·name="BALL::VIEW::RenderToBufferFinishedEvent_map">82 ··<map·id="BALL::VIEW::RenderToBufferFinishedEvent_map"·name="BALL::VIEW::RenderToBufferFinishedEvent_map">
83 <area·href="../../d9/d25/a20102.html"·alt="QEvent"·shape="rect"·coords="0,0,256,24"/>83 <area·href="../../d9/d25/a20102.html"·alt="QEvent"·shape="rect"·coords="0,0,256,24"/>
Offset 96, 15 lines modifiedOffset 96, 15 lines modified
96 Protected·Attributes</h2></td></tr>96 Protected·Attributes</h2></td></tr>
97 <tr·class="memitem:adbb3547ffadec5d4fd78a6ab684eab37"><td·class="memItemLeft"·align="right"·valign="top">boost::shared_ptr&lt;·<a·class="el"·href="../../db/d14/a08330.html">RenderSetup</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/ddf/a08334.html#adbb3547ffadec5d4fd78a6ab684eab37">renderer_</a></td></tr>97 <tr·class="memitem:adbb3547ffadec5d4fd78a6ab684eab37"><td·class="memItemLeft"·align="right"·valign="top">boost::shared_ptr&lt;·<a·class="el"·href="../../db/d14/a08330.html">RenderSetup</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/ddf/a08334.html#adbb3547ffadec5d4fd78a6ab684eab37">renderer_</a></td></tr>
98 <tr·class="separator:adbb3547ffadec5d4fd78a6ab684eab37"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:adbb3547ffadec5d4fd78a6ab684eab37"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>99 </table>
100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
101 <div·class="textblock"><p·>This·class·is·used·for·communication·of·render·events·over·thread·boundaries.·</p>101 <div·class="textblock"><p·>This·class·is·used·for·communication·of·render·events·over·thread·boundaries.·</p>
  
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00368">368</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">renderSetup.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d9b/a01433_source.html#l00368">368</a>·of·file·<a·class="el"·href="../../d2/d9b/a01433_source.html">renderSetup.h</a>.</p>
103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
104 <a·id="a52cc1861c209212e2432b8d33ba2ad26"·name="a52cc1861c209212e2432b8d33ba2ad26"></a>104 <a·id="a52cc1861c209212e2432b8d33ba2ad26"·name="a52cc1861c209212e2432b8d33ba2ad26"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#a52cc1861c209212e2432b8d33ba2ad26">&#9670;&nbsp;</a></span>RenderToBufferFinishedEvent()</h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#a52cc1861c209212e2432b8d33ba2ad26">&#9670;&nbsp;</a></span>RenderToBufferFinishedEvent()</h2>
  
106 <div·class="memitem">106 <div·class="memitem">
107 <div·class="memproto">107 <div·class="memproto">
108 <table·class="mlabels">108 <table·class="mlabels">
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122 ··</td>122 ··</td>
123 ··<td·class="mlabels-right">123 ··<td·class="mlabels-right">
124 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>124 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
125 ··</tr>125 ··</tr>
126 </table>126 </table>
127 </div><div·class="memdoc">127 </div><div·class="memdoc">
  
128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00372">372</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">renderSetup.h</a>.</p>128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d9b/a01433_source.html#l00372">372</a>·of·file·<a·class="el"·href="../../d2/d9b/a01433_source.html">renderSetup.h</a>.</p>
  
129 </div>129 </div>
130 </div>130 </div>
131 <h2·class="groupheader">Member·Function·Documentation</h2>131 <h2·class="groupheader">Member·Function·Documentation</h2>
132 <a·id="a3b73d53ef1be28dd5e5f9216f34c7365"·name="a3b73d53ef1be28dd5e5f9216f34c7365"></a>132 <a·id="a3b73d53ef1be28dd5e5f9216f34c7365"·name="a3b73d53ef1be28dd5e5f9216f34c7365"></a>
133 <h2·class="memtitle"><span·class="permalink"><a·href="#a3b73d53ef1be28dd5e5f9216f34c7365">&#9670;&nbsp;</a></span>getRenderer()</h2>133 <h2·class="memtitle"><span·class="permalink"><a·href="#a3b73d53ef1be28dd5e5f9216f34c7365">&#9670;&nbsp;</a></span>getRenderer()</h2>
  
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150 ··</td>150 ··</td>
151 ··<td·class="mlabels-right">151 ··<td·class="mlabels-right">
152 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>152 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
153 ··</tr>153 ··</tr>
154 </table>154 </table>
155 </div><div·class="memdoc">155 </div><div·class="memdoc">
  
156 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00377">377</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">renderSetup.h</a>.</p>156 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d9b/a01433_source.html#l00377">377</a>·of·file·<a·class="el"·href="../../d2/d9b/a01433_source.html">renderSetup.h</a>.</p>
  
157 </div>157 </div>
158 </div>158 </div>
159 <h2·class="groupheader">Member·Data·Documentation</h2>159 <h2·class="groupheader">Member·Data·Documentation</h2>
160 <a·id="adbb3547ffadec5d4fd78a6ab684eab37"·name="adbb3547ffadec5d4fd78a6ab684eab37"></a>160 <a·id="adbb3547ffadec5d4fd78a6ab684eab37"·name="adbb3547ffadec5d4fd78a6ab684eab37"></a>
161 <h2·class="memtitle"><span·class="permalink"><a·href="#adbb3547ffadec5d4fd78a6ab684eab37">&#9670;&nbsp;</a></span>renderer_</h2>161 <h2·class="memtitle"><span·class="permalink"><a·href="#adbb3547ffadec5d4fd78a6ab684eab37">&#9670;&nbsp;</a></span>renderer_</h2>
  
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175 ··</td>175 ··</td>
176 ··<td·class="mlabels-right">176 ··<td·class="mlabels-right">
177 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>177 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
178 ··</tr>178 ··</tr>
179 </table>179 </table>
180 </div><div·class="memdoc">180 </div><div·class="memdoc">
  
181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00380">380</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">renderSetup.h</a>.</p>181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d9b/a01433_source.html#l00380">380</a>·of·file·<a·class="el"·href="../../d2/d9b/a01433_source.html">renderSetup.h</a>.</p>
  
182 </div>182 </div>
183 </div>183 </div>
184 </div><!--·contents·-->184 </div><!--·contents·-->
185 <!--·start·footer·part·-->185 <!--·start·footer·part·-->
186 <hr·class="footer"/><address·class="footer"><small>186 <hr·class="footer"/><address·class="footer"><small>
187 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4187 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 ··<div·class="headertitle"><div·class="title">BALL::EmpiricalHSShiftProcessor::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::EmpiricalHSShiftProcessor::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../dd/de0/a05478.html"·title="Default·values·for·options.">Default</a>·values·for·options.··75 <p><a·class="el"·href="../../dd/de0/a05478.html"·title="Default·values·for·options.">Default</a>·values·for·options.··
76 ·<a·href="../../dd/de0/a05478.html#details">More...</a></p>76 ·<a·href="../../dd/de0/a05478.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d9/d10/a00449_source.html">BALL/NMR/empiricalHSShiftProcessor.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d3/deb/a01619_source.html">BALL/NMR/empiricalHSShiftProcessor.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
80 Static·Public·Attributes</h2></td></tr>80 Static·Public·Attributes</h2></td></tr>
81 <tr·class="memitem:a8c95a8eb5fb763b0b817eea41b754784"><td·class="memItemLeft"·align="right"·valign="top">static·const·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/de0/a05478.html#a8c95a8eb5fb763b0b817eea41b754784">VERBOSITY</a></td></tr>81 <tr·class="memitem:a8c95a8eb5fb763b0b817eea41b754784"><td·class="memItemLeft"·align="right"·valign="top">static·const·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/de0/a05478.html#a8c95a8eb5fb763b0b817eea41b754784">VERBOSITY</a></td></tr>
82 <tr·class="separator:a8c95a8eb5fb763b0b817eea41b754784"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a8c95a8eb5fb763b0b817eea41b754784"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock"><p·><a·class="el"·href="../../dd/de0/a05478.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>85 <div·class="textblock"><p·><a·class="el"·href="../../dd/de0/a05478.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>
  
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d10/a00449_source.html#l00063">63</a>·of·file·<a·class="el"·href="../../d9/d10/a00449_source.html">empiricalHSShiftProcessor.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/deb/a01619_source.html#l00063">63</a>·of·file·<a·class="el"·href="../../d3/deb/a01619_source.html">empiricalHSShiftProcessor.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="a8c95a8eb5fb763b0b817eea41b754784"·name="a8c95a8eb5fb763b0b817eea41b754784"></a>88 <a·id="a8c95a8eb5fb763b0b817eea41b754784"·name="a8c95a8eb5fb763b0b817eea41b754784"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#a8c95a8eb5fb763b0b817eea41b754784">&#9670;&nbsp;</a></span>VERBOSITY</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#a8c95a8eb5fb763b0b817eea41b754784">&#9670;&nbsp;</a></span>VERBOSITY</h2>
  
90 <div·class="memitem">90 <div·class="memitem">
91 <div·class="memproto">91 <div·class="memproto">
92 <table·class="mlabels">92 <table·class="mlabels">
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104 ··</td>104 ··</td>
105 ··<td·class="mlabels-right">105 ··<td·class="mlabels-right">
106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
107 ··</tr>107 ··</tr>
108 </table>108 </table>
109 </div><div·class="memdoc">109 </div><div·class="memdoc">
  
110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d10/a00449_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d9/d10/a00449_source.html">empiricalHSShiftProcessor.h</a>.</p>110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/deb/a01619_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d3/deb/a01619_source.html">empiricalHSShiftProcessor.h</a>.</p>
  
111 </div>111 </div>
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79 <table·class="memberdecls"> 
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77 </div>79 </div>
78 <p><a·href="../../dd/de4/a01121_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../dd/de4/a01121_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">81 <table·class="memberdecls">
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
74 <div·class="textblock"><code>#include·&lt;cmath&gt;</code><br·/> 
75 <code>#include·&lt;iostream&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../da/d18/a01850_source.html">BALL/MATHS/line3.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d2/d31/a01811_source.html">BALL/STRUCTURE/radialDistributionFunction.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
78 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/MATHS/common.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../db/ddf/a00164_source.html">BALL/MOLMEC/PARAMETER/forceFieldParameters.h</a>&gt;</code><br·/>
79 </div>78 </div>
80 <p><a·href="../../dd/de7/a01868_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../dd/de7/a01868_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls">80 <table·class="memberdecls">
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
83 Classes</h2></td></tr>82 Classes</h2></td></tr>
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d58/a04886.html">BALL::TPlane3&lt;·T·&gt;</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d75/a07034.html">BALL::RDFParameter</a></td></tr>
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89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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91 </table><table·class="memberdecls"> 
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Storers</h2></td></tr> 
93 <tr·class="memitem:ga9bf089ae734278ad07a51d6bb26e8926"><td·class="memItemLeft"·align="right"·valign="top">typedef·TPlane3&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga9bf089ae734278ad07a51d6bb26e8926">BALL::Plane3</a></td></tr> 
94 <tr·class="separator:ga9bf089ae734278ad07a51d6bb26e8926"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 <tr·class="memitem:ga5fec0b96f2519d2b1f62607835f6038f"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
96 <tr·class="memitem:ga5fec0b96f2519d2b1f62607835f6038f"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga5fec0b96f2519d2b1f62607835f6038f">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·TPlane3&lt;·T·&gt;·&amp;plane)</td></tr> 
97 <tr·class="separator:ga5fec0b96f2519d2b1f62607835f6038f"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 <tr·class="memitem:ga301e0136e191362e320922cb113d9505"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
99 <tr·class="memitem:ga301e0136e191362e320922cb113d9505"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga301e0136e191362e320922cb113d9505">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·TPlane3&lt;·T·&gt;·&amp;plane)</td></tr> 
100 <tr·class="separator:ga301e0136e191362e320922cb113d9505"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
101 </table>90 </table>
102 </div><!--·contents·-->91 </div><!--·contents·-->
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
 71 <a·href="#func-members">Functions</a>··</div>
71 ··<div·class="headertitle"><div·class="title">enumerator.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">shiftModel2D.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d6/dcf/a01031_source.html">BALL/COMMON/rtti.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d1/d3a/a01622_source.html">BALL/NMR/spectrum.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../dc/d71/a01664_source.html">BALL/CONCEPT/forwardIterator.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;vector&gt;</code><br·/>77 <code>#include·&lt;vector&gt;</code><br·/>
79 <code>#include·&lt;list&gt;</code><br·/> 
80 <code>#include·&lt;algorithm&gt;</code><br·/> 
81 <code>#include·&lt;BALL/CONCEPT/enumerator.iC&gt;</code><br·/> 
82 </div>78 </div>
83 <p><a·href="../../dd/deb/a01628_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../dd/deb/a01628_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">80 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>82 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d8d/a03266.html">BALL::EnumeratorIndex</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d66/a05534.html">BALL::ShiftModel2D</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d77/a03270.html">BALL::EnumeratorIndex::IncompatibleIndex</a></td></tr> 
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/deb/a03274.html">BALL::Enumerator&lt;·Container,·SiteIterator,·Variant·&gt;</a></td></tr> 
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d7f/a03278.html">BALL::Enumerator&lt;·Container,·SiteIterator,·Variant·&gt;::IteratorTraits_</a></td></tr> 
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99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 93 <tr·class="memitem:a54c55c68841e2bbc0ca3a1d7d9a5c623"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a54c55c68841e2bbc0ca3a1d7d9a5c623">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;os,·const·<a·class="el"·href="../../dd/d66/a05534.html">BALL::ShiftModel2D</a>·&amp;shiftmodel)</td></tr>
 94 <tr·class="separator:a54c55c68841e2bbc0ca3a1d7d9a5c623"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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102 <!--·start·footer·part·-->97 <!--·start·footer·part·-->
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72 ··<div·class="headertitle"><div·class="title">BALL::Peptides::NameConverter::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Peptides::NameConverter::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../dd/deb/a07018.html"·title="Option·names.">Option</a>·names.··75 <p><a·class="el"·href="../../dd/deb/a07018.html"·title="Option·names.">Option</a>·names.··
76 ·<a·href="../../dd/deb/a07018.html#details">More...</a></p>76 ·<a·href="../../dd/deb/a07018.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d0/d0a/a00743_source.html">BALL/STRUCTURE/peptides.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d2/d45/a01826_source.html">BALL/STRUCTURE/peptides.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
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80 Static·Public·Attributes</h2></td></tr>80 Static·Public·Attributes</h2></td></tr>
81 <tr·class="memitem:a7059d79f24096e7ddccafb2ceff62994"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/deb/a07018.html#a7059d79f24096e7ddccafb2ceff62994">INIFile</a></td></tr>81 <tr·class="memitem:a7059d79f24096e7ddccafb2ceff62994"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/deb/a07018.html#a7059d79f24096e7ddccafb2ceff62994">INIFile</a></td></tr>
82 <tr·class="separator:a7059d79f24096e7ddccafb2ceff62994"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a7059d79f24096e7ddccafb2ceff62994"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a1d86d949ee69930f09fe48928eb90c66"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/deb/a07018.html#a1d86d949ee69930f09fe48928eb90c66">PSEUDO_ATOMS_INIFile</a></td></tr>83 <tr·class="memitem:a1d86d949ee69930f09fe48928eb90c66"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/deb/a07018.html#a1d86d949ee69930f09fe48928eb90c66">PSEUDO_ATOMS_INIFile</a></td></tr>
84 <tr·class="separator:a1d86d949ee69930f09fe48928eb90c66"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a1d86d949ee69930f09fe48928eb90c66"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock"><p·><a·class="el"·href="../../dd/deb/a07018.html"·title="Option·names.">Option</a>·names.·</p>87 <div·class="textblock"><p·><a·class="el"·href="../../dd/deb/a07018.html"·title="Option·names.">Option</a>·names.·</p>
  
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d0a/a00743_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../d0/d0a/a00743_source.html">peptides.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d45/a01826_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../d2/d45/a01826_source.html">peptides.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="a7059d79f24096e7ddccafb2ceff62994"·name="a7059d79f24096e7ddccafb2ceff62994"></a>90 <a·id="a7059d79f24096e7ddccafb2ceff62994"·name="a7059d79f24096e7ddccafb2ceff62994"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#a7059d79f24096e7ddccafb2ceff62994">&#9670;&nbsp;</a></span>INIFile</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#a7059d79f24096e7ddccafb2ceff62994">&#9670;&nbsp;</a></span>INIFile</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
93 <div·class="memproto">93 <div·class="memproto">
94 <table·class="mlabels">94 <table·class="mlabels">
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107 ··<td·class="mlabels-right">107 ··<td·class="mlabels-right">
108 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>108 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
109 ··</tr>109 ··</tr>
110 </table>110 </table>
111 </div><div·class="memdoc">111 </div><div·class="memdoc">
112 <p·>The·conversion·table·file·</p>112 <p·>The·conversion·table·file·</p>
  
113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d0a/a00743_source.html#l00167">167</a>·of·file·<a·class="el"·href="../../d0/d0a/a00743_source.html">peptides.h</a>.</p>113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d45/a01826_source.html#l00167">167</a>·of·file·<a·class="el"·href="../../d2/d45/a01826_source.html">peptides.h</a>.</p>
  
114 </div>114 </div>
115 </div>115 </div>
116 <a·id="a1d86d949ee69930f09fe48928eb90c66"·name="a1d86d949ee69930f09fe48928eb90c66"></a>116 <a·id="a1d86d949ee69930f09fe48928eb90c66"·name="a1d86d949ee69930f09fe48928eb90c66"></a>
117 <h2·class="memtitle"><span·class="permalink"><a·href="#a1d86d949ee69930f09fe48928eb90c66">&#9670;&nbsp;</a></span>PSEUDO_ATOMS_INIFile</h2>117 <h2·class="memtitle"><span·class="permalink"><a·href="#a1d86d949ee69930f09fe48928eb90c66">&#9670;&nbsp;</a></span>PSEUDO_ATOMS_INIFile</h2>
  
118 <div·class="memitem">118 <div·class="memitem">
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132 ··<td·class="mlabels-right">132 ··<td·class="mlabels-right">
133 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>133 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
134 ··</tr>134 ··</tr>
135 </table>135 </table>
136 </div><div·class="memdoc">136 </div><div·class="memdoc">
137 <p·>The·pseudo·atoms·conversion·table·file·</p>137 <p·>The·pseudo·atoms·conversion·table·file·</p>
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d0a/a00743_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../d0/d0a/a00743_source.html">peptides.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d45/a01826_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../d2/d45/a01826_source.html">peptides.h</a>.</p>
  
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142 <!--·start·footer·part·-->142 <!--·start·footer·part·-->
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72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
73 <a·href="../../d1/d56/a05259.html">List·of·all·members</a>··</div>73 <a·href="../../d1/d56/a05259.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::MMFF94AtomTypes·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>74 ··<div·class="headertitle"><div·class="title">BALL::MMFF94AtomTypes·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../df/d88/a00962_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../df/dc8/a00122_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::MMFF94AtomTypes:</div>79 Inheritance·diagram·for·BALL::MMFF94AtomTypes:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../dd/df0/a05262.png"·usemap="#BALL::MMFF94AtomTypes_map"·alt=""/>82 ··<img·src="../../dd/df0/a05262.png"·usemap="#BALL::MMFF94AtomTypes_map"·alt=""/>
83 ··<map·id="BALL::MMFF94AtomTypes_map"·name="BALL::MMFF94AtomTypes_map">83 ··<map·id="BALL::MMFF94AtomTypes_map"·name="BALL::MMFF94AtomTypes_map">
84 <area·href="../../d8/de7/a05250.html"·alt="BALL::MMFF94ParametersBase"·shape="rect"·coords="0,0,193,24"/>84 <area·href="../../d8/de7/a05250.html"·alt="BALL::MMFF94ParametersBase"·shape="rect"·coords="0,0,193,24"/>
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134 <tr·class="separator:a84d92d3f781cbfdb13dfc7d7e6746a31·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>134 <tr·class="separator:a84d92d3f781cbfdb13dfc7d7e6746a31·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
135 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>135 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>
136 <tr·class="separator:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>136 <tr·class="separator:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
137 </table>137 </table>
138 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>138 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
139 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·atom·types·(see·MMFFPROP.PAR)·</p>139 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·atom·types·(see·MMFFPROP.PAR)·</p>
  
140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00157">157</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00157">157</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
141 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>141 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
142 <a·id="aafb16b5476351c61edbe36f0562f209e"·name="aafb16b5476351c61edbe36f0562f209e"></a>142 <a·id="aafb16b5476351c61edbe36f0562f209e"·name="aafb16b5476351c61edbe36f0562f209e"></a>
143 <h2·class="memtitle"><span·class="permalink"><a·href="#aafb16b5476351c61edbe36f0562f209e">&#9670;&nbsp;</a></span>MMFF94AtomTypes()·<span·class="overload">[1/2]</span></h2>143 <h2·class="memtitle"><span·class="permalink"><a·href="#aafb16b5476351c61edbe36f0562f209e">&#9670;&nbsp;</a></span>MMFF94AtomTypes()·<span·class="overload">[1/2]</span></h2>
  
144 <div·class="memitem">144 <div·class="memitem">
145 <div·class="memproto">145 <div·class="memproto">
146 ······<table·class="memname">146 ······<table·class="memname">
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194 ··</td>194 ··</td>
195 ··<td·class="mlabels-right">195 ··<td·class="mlabels-right">
196 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>196 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
197 ··</tr>197 ··</tr>
198 </table>198 </table>
199 </div><div·class="memdoc">199 </div><div·class="memdoc">
  
200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00169">169</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00169">169</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
201 </div>201 </div>
202 </div>202 </div>
203 <h2·class="groupheader">Member·Function·Documentation</h2>203 <h2·class="groupheader">Member·Function·Documentation</h2>
204 <a·id="af0991a8205cd774c175e6da9df503691"·name="af0991a8205cd774c175e6da9df503691"></a>204 <a·id="af0991a8205cd774c175e6da9df503691"·name="af0991a8205cd774c175e6da9df503691"></a>
205 <h2·class="memtitle"><span·class="permalink"><a·href="#af0991a8205cd774c175e6da9df503691">&#9670;&nbsp;</a></span>getAtomTypes()</h2>205 <h2·class="memtitle"><span·class="permalink"><a·href="#af0991a8205cd774c175e6da9df503691">&#9670;&nbsp;</a></span>getAtomTypes()</h2>
  
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222 ··</td>222 ··</td>
223 ··<td·class="mlabels-right">223 ··<td·class="mlabels-right">
224 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>224 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
225 ··</tr>225 ··</tr>
226 </table>226 </table>
227 </div><div·class="memdoc">227 </div><div·class="memdoc">
  
228 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00172">172</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>228 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00172">172</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
229 </div>229 </div>
230 </div>230 </div>
231 <a·id="a06a83f5e5858f2ea7088e51debb2f000"·name="a06a83f5e5858f2ea7088e51debb2f000"></a>231 <a·id="a06a83f5e5858f2ea7088e51debb2f000"·name="a06a83f5e5858f2ea7088e51debb2f000"></a>
232 <h2·class="memtitle"><span·class="permalink"><a·href="#a06a83f5e5858f2ea7088e51debb2f000">&#9670;&nbsp;</a></span>setup_()</h2>232 <h2·class="memtitle"><span·class="permalink"><a·href="#a06a83f5e5858f2ea7088e51debb2f000">&#9670;&nbsp;</a></span>setup_()</h2>
  
233 <div·class="memitem">233 <div·class="memitem">
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275 ··</td>275 ··</td>
276 ··<td·class="mlabels-right">276 ··<td·class="mlabels-right">
277 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>277 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
278 ··</tr>278 ··</tr>
279 </table>279 </table>
280 </div><div·class="memdoc">280 </div><div·class="memdoc">
  
281 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00177">177</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>281 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00177">177</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
282 </div>282 </div>
283 </div>283 </div>
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285 <!--·start·footer·part·-->285 <!--·start·footer·part·-->
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">iconLoader.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">propertyEditor.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
74 <div·class="textblock"><code>#include·&lt;list&gt;</code><br·/> 
75 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d0/d36/a01916_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;BALL/VIEW/UIC/ui_propertyEditor.h&gt;</code><br·/>
 77 <code>#include·&lt;BALL/VIEW/UIC/ui_propEditorWidget.h&gt;</code><br·/>
 78 <code>#include·&lt;BALL/VIEW/UIC/ui_editorPDBInfoDialog.h&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d3/dd1/a00914_source.html">BALL/FORMAT/PDBInfo.h</a>&gt;</code><br·/>
77 <code>#include·&lt;QtCore/QMutex&gt;</code><br·/>80 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/>
78 <code>#include·&lt;QtCore/QReadWriteLock&gt;</code><br·/> 
79 <code>#include·&lt;QtCore/QStringList&gt;</code><br·/> 
80 </div>81 </div>
81 <p><a·href="../../dd/df1/a01082_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../dd/df1/a01082_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls">83 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
84 Classes</h2></td></tr>85 Classes</h2></td></tr>
 86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html">BALL::VIEW::PropEditorWidget</a></td></tr>
 87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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72 ··<div·class="headertitle"><div·class="title">nucleicAcidIterator.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">automaticModelCreator.h·File·Reference</div></div>
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76 <code>#include·&lt;<a·class="el"·href="../../dd/de2/a00320_source.html">BALL/KERNEL/nucleicAcid.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../da/d9c/a00413_source.html">BALL/KERNEL/iterator.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d7/d5e/a00467_source.html">BALL/QSAR/Model.h</a>&gt;</code><br·/>
78 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/predicate.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d3/def/a00446_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/>
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80 <p><a·href="../../dd/df5/a00386_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../dd/df5/a00386_source.html">Go·to·the·source·code·of·this·file.</a></p>
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98 <tr·class="memitem:a54b9035f59db137f5525c3ea60e03ba0"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·NucleicAcidIterator·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a54b9035f59db137f5525c3ea60e03ba0">BALL::NucleicAcidReverseIterator</a></td></tr> 
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100 <tr·class="memitem:a6374eee414f2ca59e5f1143c6e2bee89"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·NucleicAcidConstIterator·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a6374eee414f2ca59e5f1143c6e2bee89">BALL::NucleicAcidConstReverseIterator</a></td></tr> 
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72 ··<div·class="headertitle"><div·class="title">BALL::BuriedPolar::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::BuriedPolar::Option·Struct·Reference</div></div>
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75 <p><code>#include·&lt;<a·class="el"·href="../../d5/de9/a00176_source.html">BALL/SCORING/COMPONENTS/buriedPolar.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d2/dea/a02057_source.html">BALL/SCORING/COMPONENTS/buriedPolar.h</a>&gt;</code></p>
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84 <tr·class="separator:a80de473b5d5729a18aac3d2d46f00ebf"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a80de473b5d5729a18aac3d2d46f00ebf"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock"><p·><a·class="el"·href="../../de/d01/a06218.html">Option</a>·names·</p>87 <div·class="textblock"><p·><a·class="el"·href="../../de/d01/a06218.html">Option</a>·names·</p>
  
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/de9/a00176_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d5/de9/a00176_source.html">buriedPolar.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dea/a02057_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d2/dea/a02057_source.html">buriedPolar.h</a>.</p>
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74 ··<div·class="headertitle"><div·class="title">BALL::INIFile::IteratorTraits_·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::INIFile::IteratorTraits_·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p>Interface·for·the·LineIterator.··77 <p>Interface·for·the·LineIterator.··
78 ·<a·href="../../de/d08/a03934.html#details">More...</a></p>78 ·<a·href="../../de/d08/a03934.html#details">More...</a></p>
  
79 <p><code>#include·&lt;<a·class="el"·href="../../d3/d52/a00023_source.html">BALL/FORMAT/INIFile.h</a>&gt;</code></p>79 <p><code>#include·&lt;<a·class="el"·href="../../d5/dd3/a00902_source.html">BALL/FORMAT/INIFile.h</a>&gt;</code></p>
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82 Public·Member·Functions</h2></td></tr>82 Public·Member·Functions</h2></td></tr>
83 <tr·class="memitem:ae942f150eb997a495a3f33ad7233cdcd"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d08/a03934.html#ae942f150eb997a495a3f33ad7233cdcd">IteratorTraits_</a>·()</td></tr>83 <tr·class="memitem:ae942f150eb997a495a3f33ad7233cdcd"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d08/a03934.html#ae942f150eb997a495a3f33ad7233cdcd">IteratorTraits_</a>·()</td></tr>
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144 <tr·class="separator:a33a092944145a6741a7f1dfd6397ffb2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>144 <tr·class="separator:a33a092944145a6741a7f1dfd6397ffb2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
145 </table>145 </table>
146 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>146 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
147 <div·class="textblock"><p·>Interface·for·the·LineIterator.·</p>147 <div·class="textblock"><p·>Interface·for·the·LineIterator.·</p>
  
148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d52/a00023_source.html#l00439">439</a>·of·file·<a·class="el"·href="../../d3/d52/a00023_source.html">INIFile.h</a>.</p>148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dd3/a00902_source.html#l00439">439</a>·of·file·<a·class="el"·href="../../d5/dd3/a00902_source.html">INIFile.h</a>.</p>
149 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>149 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">linearModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">rescoring.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d3/def/a00446_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/>
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/QSAR/regressionModel.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../de/df8/a00440_source.html">BALL/QSAR/regressionModel.h</a>&gt;</code><br·/>
75 </div>78 </div>
76 <p><a·href="../../de/d0a/a02015_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../de/d0a/a02015_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">80 <table·class="memberdecls">
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79 Classes</h2></td></tr>82 Classes</h2></td></tr>
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84 Namespaces</h2></td></tr>89 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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72 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;72 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
73 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;73 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
74 <a·href="../../d6/d46/a07907.html">List·of·all·members</a>··</div>74 <a·href="../../d6/d46/a07907.html">List·of·all·members</a>··</div>
75 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MoveMode·Class·Reference</div></div>75 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MoveMode·Class·Reference</div></div>
76 </div><!--header-->76 </div><!--header-->
77 <div·class="contents">77 <div·class="contents">
  
78 <p><code>#include·&lt;<a·class="el"·href="../../d9/db3/a01064_source.html">BALL/VIEW/KERNEL/MODES/moveMode.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../d6/dcf/a01031_source.html">BALL/VIEW/KERNEL/MODES/moveMode.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
80 Inheritance·diagram·for·BALL::VIEW::MoveMode:</div>80 Inheritance·diagram·for·BALL::VIEW::MoveMode:</div>
81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../de/d0e/a07910.png"·usemap="#BALL::VIEW::MoveMode_map"·alt=""/>83 ··<img·src="../../de/d0e/a07910.png"·usemap="#BALL::VIEW::MoveMode_map"·alt=""/>
84 ··<map·id="BALL::VIEW::MoveMode_map"·name="BALL::VIEW::MoveMode_map">84 ··<map·id="BALL::VIEW::MoveMode_map"·name="BALL::VIEW::MoveMode_map">
85 <area·href="../../d0/d9f/a07902.html"·alt="BALL::VIEW::InteractionMode"·shape="rect"·coords="0,56,177,80"/>85 <area·href="../../d0/d9f/a07902.html"·alt="BALL::VIEW::InteractionMode"·shape="rect"·coords="0,56,177,80"/>
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200 Additional·Inherited·Members</h2></td></tr>200 Additional·Inherited·Members</h2></td></tr>
201 <tr·class="inherit_header·signals_a07902"><td·colspan="2"·onclick="javascript:toggleInherit('signals_a07902')"><img·src="../../closed.png"·alt="-"/>&#160;Signals·inherited·from·<a·class="el"·href="../../d0/d9f/a07902.html">BALL::VIEW::InteractionMode</a></td></tr>201 <tr·class="inherit_header·signals_a07902"><td·colspan="2"·onclick="javascript:toggleInherit('signals_a07902')"><img·src="../../closed.png"·alt="-"/>&#160;Signals·inherited·from·<a·class="el"·href="../../d0/d9f/a07902.html">BALL::VIEW::InteractionMode</a></td></tr>
202 <tr·class="memitem:a75116b4028f01c27bb5baa88ca236d2e·inherit·signals_a07902"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d9f/a07902.html#a75116b4028f01c27bb5baa88ca236d2e">requestModeChange</a>·(<a·class="el"·href="../../d0/d9f/a07902.html">InteractionMode</a>·*mode)</td></tr>202 <tr·class="memitem:a75116b4028f01c27bb5baa88ca236d2e·inherit·signals_a07902"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d9f/a07902.html#a75116b4028f01c27bb5baa88ca236d2e">requestModeChange</a>·(<a·class="el"·href="../../d0/d9f/a07902.html">InteractionMode</a>·*mode)</td></tr>
203 <tr·class="separator:a75116b4028f01c27bb5baa88ca236d2e·inherit·signals_a07902"><td·class="memSeparator"·colspan="2">&#160;</td></tr>203 <tr·class="separator:a75116b4028f01c27bb5baa88ca236d2e·inherit·signals_a07902"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
204 </table>204 </table>
205 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>205 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
206 <div·class="textblock">206 <div·class="textblock">
207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/db3/a01064_source.html#l00011">11</a>·of·file·<a·class="el"·href="../../d9/db3/a01064_source.html">moveMode.h</a>.</p>207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dcf/a01031_source.html#l00011">11</a>·of·file·<a·class="el"·href="../../d6/dcf/a01031_source.html">moveMode.h</a>.</p>
208 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>208 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
209 <a·id="ac06eae4c8928d99879aebdebeb6ad0a1"·name="ac06eae4c8928d99879aebdebeb6ad0a1"></a>209 <a·id="ac06eae4c8928d99879aebdebeb6ad0a1"·name="ac06eae4c8928d99879aebdebeb6ad0a1"></a>
210 <h2·class="memtitle"><span·class="permalink"><a·href="#ac06eae4c8928d99879aebdebeb6ad0a1">&#9670;&nbsp;</a></span>MoveMode()</h2>210 <h2·class="memtitle"><span·class="permalink"><a·href="#ac06eae4c8928d99879aebdebeb6ad0a1">&#9670;&nbsp;</a></span>MoveMode()</h2>
  
211 <div·class="memitem">211 <div·class="memitem">
212 <div·class="memproto">212 <div·class="memproto">
213 ······<table·class="memname">213 ······<table·class="memname">
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326 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>326 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
327 ··</tr>327 ··</tr>
328 </table>328 </table>
329 </div><div·class="memdoc">329 </div><div·class="memdoc">
  
330 <p>Implements·<a·class="el"·href="../../d0/d9f/a07902.html#aa6a86daf896a4764b74aabb305d0ba45">BALL::VIEW::InteractionMode</a>.</p>330 <p>Implements·<a·class="el"·href="../../d0/d9f/a07902.html#aa6a86daf896a4764b74aabb305d0ba45">BALL::VIEW::InteractionMode</a>.</p>
  
331 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/db3/a01064_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d9/db3/a01064_source.html">moveMode.h</a>.</p>331 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dcf/a01031_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d6/dcf/a01031_source.html">moveMode.h</a>.</p>
  
332 </div>332 </div>
333 </div>333 </div>
334 <a·id="ae76c3cff754ec25cff76969a4e7d55e0"·name="ae76c3cff754ec25cff76969a4e7d55e0"></a>334 <a·id="ae76c3cff754ec25cff76969a4e7d55e0"·name="ae76c3cff754ec25cff76969a4e7d55e0"></a>
335 <h2·class="memtitle"><span·class="permalink"><a·href="#ae76c3cff754ec25cff76969a4e7d55e0">&#9670;&nbsp;</a></span>mouseMoveEventImpl_()</h2>335 <h2·class="memtitle"><span·class="permalink"><a·href="#ae76c3cff754ec25cff76969a4e7d55e0">&#9670;&nbsp;</a></span>mouseMoveEventImpl_()</h2>
  
336 <div·class="memitem">336 <div·class="memitem">
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486 ··</td>486 ··</td>
487 ··<td·class="mlabels-right">487 ··<td·class="mlabels-right">
488 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>488 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
489 ··</tr>489 ··</tr>
490 </table>490 </table>
491 </div><div·class="memdoc">491 </div><div·class="memdoc">
  
492 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/db3/a01064_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d9/db3/a01064_source.html">moveMode.h</a>.</p>492 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dcf/a01031_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d6/dcf/a01031_source.html">moveMode.h</a>.</p>
  
493 </div>493 </div>
494 </div>494 </div>
495 </div><!--·contents·-->495 </div><!--·contents·-->
496 <!--·start·footer·part·-->496 <!--·start·footer·part·-->
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498 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4498 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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8 <title>BALL:·concept.doc·File·Reference</title>8 <title>BALL:·HBondShiftProcessor.h·File·Reference</title>
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59 ········name="MSearchResults"·id="MSearchResults">59 ········name="MSearchResults"·id="MSearchResults">
60 </iframe>60 </iframe>
61 </div>61 </div>
  
 62 <div·id="nav-path"·class="navpath">
 63 ··<ul>
 64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>
 65 </div>
62 </div><!--·top·-->66 </div><!--·top·-->
63 <div·class="header">67 <div·class="header">
 68 ··<div·class="summary">
 69 <a·href="#nested-classes">Classes</a>·&#124;
 70 <a·href="#namespaces">Namespaces</a>··</div>
64 ··<div·class="headertitle"><div·class="title">concept.doc·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">HBondShiftProcessor.h·File·Reference</div></div>
65 </div><!--header-->72 </div><!--header-->
66 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/de5/a00503_source.html">BALL/KERNEL/PTE.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;map&gt;</code><br·/>
 80 </div>
 81 <p><a·href="../../de/d14/a01640_source.html">Go·to·the·source·code·of·this·file.</a></p>
 82 <table·class="memberdecls">
 83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
 84 Classes</h2></td></tr>
 85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dc0/a05502.html">BALL::HBondShiftProcessor</a></td></tr>
 86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 87 </table><table·class="memberdecls">
 88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
 89 Namespaces</h2></td></tr>
 90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
 91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 92 </table>
67 </div><!--·contents·-->93 </div><!--·contents·-->
68 <!--·start·footer·part·-->94 <!--·start·footer·part·-->
69 <hr·class="footer"/><address·class="footer"><small>95 <hr·class="footer"/><address·class="footer"><small>
70 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.496 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
71 </small></address>97 </small></address>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d5/d64/a04719.html">List·of·all·members</a>··</div>71 <a·href="../../d5/d64/a04719.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::TripleBondsPredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TripleBondsPredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::TripleBondsPredicate:</div>77 Inheritance·diagram·for·BALL::TripleBondsPredicate:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../de/d18/a04722.png"·usemap="#BALL::TripleBondsPredicate_map"·alt=""/>80 ··<img·src="../../de/d18/a04722.png"·usemap="#BALL::TripleBondsPredicate_map"·alt=""/>
81 ··<map·id="BALL::TripleBondsPredicate_map"·name="BALL::TripleBondsPredicate_map">81 ··<map·id="BALL::TripleBondsPredicate_map"·name="BALL::TripleBondsPredicate_map">
82 <area·href="../../d9/d82/a04718.html"·alt="BALL::DoubleBondsPredicate"·shape="rect"·coords="0,224,204,248"/>82 <area·href="../../d9/d82/a04718.html"·alt="BALL::DoubleBondsPredicate"·shape="rect"·coords="0,224,204,248"/>
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130 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>130 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
131 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>131 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
132 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>132 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
133 </table>133 </table>
134 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>134 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
135 <div·class="textblock"><p·>Predicate·class·for·atoms·bearing·triple·bonds.·Arguments·of·this·class·are·<b>·required·</b>·to·consist·of·an·relational·operator·and·a·number·between·1·and·8.·</p>135 <div·class="textblock"><p·>Predicate·class·for·atoms·bearing·triple·bonds.·Arguments·of·this·class·are·<b>·required·</b>·to·consist·of·an·relational·operator·and·a·number·between·1·and·8.·</p>
  
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00415">415</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00415">415</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
137 </div><h2·class="groupheader">Member·Function·Documentation</h2>137 </div><h2·class="groupheader">Member·Function·Documentation</h2>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
 71 <a·href="#typedef-members">Typedefs</a>·&#124;
 72 <a·href="#func-members">Functions</a>··</div>
71 ··<div·class="headertitle"><div·class="title">PLPScoring.h·File·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">FFT3D.h·File·Reference</div></div>
72 </div><!--header-->74 </div><!--header-->
73 <div·class="contents">75 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>76 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/d40/a00959_source.html">BALL/MOLMEC/MMFF94/MMFF94.h</a>&gt;</code><br·/>78 <code>#include·&lt;<a·class="el"·href="../../d3/d5e/a00275_source.html">BALL/MATHS/fftwCommon.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;cmath&gt;</code><br·/>
 80 <code>#include·&lt;complex&gt;</code><br·/>
 81 <code>#include·&lt;fftw3.h&gt;</code><br·/>
76 </div>82 </div>
77 <p><a·href="../../de/d25/a00290_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../de/d25/a00290_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">84 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>86 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d70/a06410.html">BALL::PLPScoring</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d77/a04806.html">BALL::TFFT3D&lt;·ComplexTraits·&gt;</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
85 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 94 </table><table·class="memberdecls">
 95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
 96 Typedefs</h2></td></tr>
 97 <tr·class="memitem:a3bae29df496ab61bfe880da84419deb7"><td·class="memItemLeft"·align="right"·valign="top">typedef·TFFT3D&lt;·BALL_FFTW_DEFAULT_TRAITS·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a3bae29df496ab61bfe880da84419deb7">BALL::FFT3D</a></td></tr>
 98 <tr·class="separator:a3bae29df496ab61bfe880da84419deb7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 99 </table><table·class="memberdecls">
 100 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 101 Functions</h2></td></tr>
 102 <tr·class="memitem:a84434d607f976a046de22dbe91540d30"><td·class="memTemplParams"·colspan="2">template&lt;typename·ComplexTraits·&gt;·</td></tr>
 103 <tr·class="memitem:a84434d607f976a046de22dbe91540d30"><td·class="memTemplItemLeft"·align="right"·valign="top">const·TRegularData3D&lt;·typename·TFFT3D&lt;·ComplexTraits·&gt;::Complex·&gt;·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a84434d607f976a046de22dbe91540d30">BALL::operator&lt;&lt;</a>·(TRegularData3D&lt;·typename·TFFT3D&lt;·ComplexTraits·&gt;::Complex·&gt;·&amp;to,·const·TFFT3D&lt;·ComplexTraits·&gt;·&amp;from)</td></tr>
 104 <tr·class="separator:a84434d607f976a046de22dbe91540d30"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 105 <tr·class="memitem:a9cd69cbc863ce800e3744809204b6a69"><td·class="memTemplParams"·colspan="2">template&lt;typename·ComplexTraits·&gt;·</td></tr>
 106 <tr·class="memitem:a9cd69cbc863ce800e3744809204b6a69"><td·class="memTemplItemLeft"·align="right"·valign="top">const·RegularData3D·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a9cd69cbc863ce800e3744809204b6a69">BALL::operator&lt;&lt;</a>·(RegularData3D·&amp;to,·const·TFFT3D&lt;·ComplexTraits·&gt;·&amp;from)</td></tr>
 107 <tr·class="separator:a9cd69cbc863ce800e3744809204b6a69"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>108 </table>
89 </div><!--·contents·-->109 </div><!--·contents·-->
90 <!--·start·footer·part·-->110 <!--·start·footer·part·-->
91 <hr·class="footer"/><address·class="footer"><small>111 <hr·class="footer"/><address·class="footer"><small>
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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59 ········name="MSearchResults"·id="MSearchResults">59 ········name="MSearchResults"·id="MSearchResults">
60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c7a6b3e443e6f200d85971bee20841b.html">GENETICDOCK</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">logView.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">dockProblem.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;vector&gt;</code><br·/>
 75 <code>#include·&lt;string&gt;</code><br·/>
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d4/d1e/a00497_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d5/dee/a00518_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../da/ded/a01547_source.html">BALL/DOCKING/GENETICDOCK/rotateBonds.h</a>&gt;</code><br·/>
 81 <code>#include·&lt;<a·class="el"·href="../../d5/dc8/a01541_source.html">BALL/DOCKING/GENETICDOCK/geneticAlgorithm.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d6/d83/a01544_source.html">BALL/DOCKING/GENETICDOCK/evolutionaryDocking.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d7/def/a01538_source.html">BALL/DOCKING/GENETICDOCK/parameter.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d9/df5/a01574_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d3/de5/a00209_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;<a·class="el"·href="../../d2/d2f/a01586_source.html">BALL/DOCKING/COMMON/conformationSet.h</a>&gt;</code><br·/>
76 <code>#include·&lt;QtWidgets/QTextBrowser&gt;</code><br·/> 
77 <code>#include·&lt;QtGui/QDragEnterEvent&gt;</code><br·/> 
78 <code>#include·&lt;QtGui/QDragLeaveEvent&gt;</code><br·/> 
79 <code>#include·&lt;QtGui/QDropEvent&gt;</code><br·/> 
80 </div>88 </div>
81 <p><a·href="../../de/d2c/a01553_source.html">Go·to·the·source·code·of·this·file.</a></p>89 <p><a·href="../../de/d2c/a01553_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls">90 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
84 Classes</h2></td></tr>92 Classes</h2></td></tr>
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d05/a08434.html">BALL::VIEW::DragLogView</a></td></tr> 
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/ded/a08438.html">BALL::VIEW::LogView</a></td></tr>93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d2e/a03734.html">BALL::DockProblem</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">95 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
91 Namespaces</h2></td></tr>97 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
96 </table>100 </table>
97 </div><!--·contents·-->101 </div><!--·contents·-->
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99 <hr·class="footer"/><address·class="footer"><small>103 <hr·class="footer"/><address·class="footer"><small>
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65 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>65 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
66 </div>66 </div>
67 </div><!--·top·-->67 </div><!--·top·-->
68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="#namespaces">Namespaces</a>··</div>71 <a·href="#namespaces">Namespaces</a>··</div>
72 ··<div·class="headertitle"><div·class="title">exportGeometryDialog.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">molecularFileDialog.h·File·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d5/d67/a01070_source.html">BALL/VIEW/KERNEL/clippingPlane.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>
77 <code>#include·&lt;BALL/VIEW/UIC/ui_exportGeometryDialog.h&gt;</code><br·/> 
78 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/> 
79 </div>78 </div>
80 <p><a·href="../../de/d33/a01274_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../de/d33/a01274_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls">80 <table·class="memberdecls">
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
83 Classes</h2></td></tr>82 Classes</h2></td></tr>
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8d/a07602.html">BALL::VIEW::ExportGeometryDialog</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/deb/a07662.html">BALL::VIEW::MolecularFileDialog</a></td></tr>
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
86 </table><table·class="memberdecls">85 </table><table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
88 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>90 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;71 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;
72 <a·href="../../d2/dc1/a06151.html">List·of·all·members</a>··</div>72 <a·href="../../d2/dc1/a06151.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::Rescorer·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::Rescorer·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d7/d03/a00254_source.html">BALL/SCORING/COMMON/rescorer.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d2/d23/a01961_source.html">BALL/SCORING/COMMON/rescorer.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a8829fef7dc539ec466511a30aece3a84"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d33/a06154.html">Rescorer</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d33/a06154.html#a8829fef7dc539ec466511a30aece3a84">operator=</a>·(const·<a·class="el"·href="../../de/d33/a06154.html">Rescorer</a>·&amp;rescorer)</td></tr>80 <tr·class="memitem:a8829fef7dc539ec466511a30aece3a84"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d33/a06154.html">Rescorer</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d33/a06154.html#a8829fef7dc539ec466511a30aece3a84">operator=</a>·(const·<a·class="el"·href="../../de/d33/a06154.html">Rescorer</a>·&amp;rescorer)</td></tr>
81 <tr·class="separator:a8829fef7dc539ec466511a30aece3a84"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a8829fef7dc539ec466511a30aece3a84"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>
84 Static·Public·Member·Functions</h2></td></tr>84 Static·Public·Member·Functions</h2></td></tr>
85 <tr·class="memitem:a912664f59c583c372d598f642147b258"><td·class="memItemLeft"·align="right"·valign="top">static·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d33/a06154.html#a912664f59c583c372d598f642147b258">runRescoring</a>·(<a·class="el"·href="../../d0/d34/a03874.html">CommandlineParser</a>·&amp;par,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·simple_rescoring,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·train)</td></tr>85 <tr·class="memitem:a912664f59c583c372d598f642147b258"><td·class="memItemLeft"·align="right"·valign="top">static·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d33/a06154.html#a912664f59c583c372d598f642147b258">runRescoring</a>·(<a·class="el"·href="../../d0/d34/a03874.html">CommandlineParser</a>·&amp;par,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·simple_rescoring,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·train)</td></tr>
86 <tr·class="separator:a912664f59c583c372d598f642147b258"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:a912664f59c583c372d598f642147b258"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table>87 </table>
88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
89 <div·class="textblock"><p·>Class·that·performs·rescoring.·Taken·originally·from·CADDSuite.·</p>89 <div·class="textblock"><p·>Class·that·performs·rescoring.·Taken·originally·from·CADDSuite.·</p>
  
90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d03/a00254_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d7/d03/a00254_source.html">rescorer.h</a>.</p>90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d23/a01961_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d2/d23/a01961_source.html">rescorer.h</a>.</p>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../d1/df6/a04299.html">List·of·all·members</a>··</div>71 <a·href="../../d1/df6/a04299.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordSCALE1·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordSCALE1·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a754951c14702b98ba12bfbd9399fe259"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d34/a04302.html#a754951c14702b98ba12bfbd9399fe259">record_type</a></td></tr>79 <tr·class="memitem:a754951c14702b98ba12bfbd9399fe259"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d34/a04302.html#a754951c14702b98ba12bfbd9399fe259">record_type</a></td></tr>
80 <tr·class="separator:a754951c14702b98ba12bfbd9399fe259"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a754951c14702b98ba12bfbd9399fe259"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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82 <tr·class="separator:ab60ac4024661ee3d052156f71e4a2434"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:ab60ac4024661ee3d052156f71e4a2434"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a6c1ed032816112ae7681951926bb9324"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d34/a04302.html#a6c1ed032816112ae7681951926bb9324">transformation_matrix</a>·[4]</td></tr>83 <tr·class="memitem:a6c1ed032816112ae7681951926bb9324"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d34/a04302.html#a6c1ed032816112ae7681951926bb9324">transformation_matrix</a>·[4]</td></tr>
84 <tr·class="separator:a6c1ed032816112ae7681951926bb9324"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a6c1ed032816112ae7681951926bb9324"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock">87 <div·class="textblock">
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00932">932</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00932">932</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="ab60ac4024661ee3d052156f71e4a2434"·name="ab60ac4024661ee3d052156f71e4a2434"></a>90 <a·id="ab60ac4024661ee3d052156f71e4a2434"·name="ab60ac4024661ee3d052156f71e4a2434"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#ab60ac4024661ee3d052156f71e4a2434">&#9670;&nbsp;</a></span>record_name</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#ab60ac4024661ee3d052156f71e4a2434">&#9670;&nbsp;</a></span>record_name</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
93 <div·class="memproto">93 <div·class="memproto">
94 ······<table·class="memname">94 ······<table·class="memname">
95 ········<tr>95 ········<tr>
96 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordSCALE1::record_name</td>96 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordSCALE1::record_name</td>
97 ········</tr>97 ········</tr>
98 ······</table>98 ······</table>
99 </div><div·class="memdoc">99 </div><div·class="memdoc">
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00935">935</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00935">935</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
101 </div>101 </div>
102 </div>102 </div>
103 <a·id="a754951c14702b98ba12bfbd9399fe259"·name="a754951c14702b98ba12bfbd9399fe259"></a>103 <a·id="a754951c14702b98ba12bfbd9399fe259"·name="a754951c14702b98ba12bfbd9399fe259"></a>
104 <h2·class="memtitle"><span·class="permalink"><a·href="#a754951c14702b98ba12bfbd9399fe259">&#9670;&nbsp;</a></span>record_type</h2>104 <h2·class="memtitle"><span·class="permalink"><a·href="#a754951c14702b98ba12bfbd9399fe259">&#9670;&nbsp;</a></span>record_type</h2>
  
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114 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordSCALE1::record_type</td>114 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordSCALE1::record_type</td>
115 ········</tr>115 ········</tr>
116 ······</table>116 ······</table>
117 </div><div·class="memdoc">117 </div><div·class="memdoc">
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00934">934</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00934">934</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
119 </div>119 </div>
120 </div>120 </div>
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123 <div·class="memitem">123 <div·class="memitem">
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129 ········<tr>129 ········<tr>
130 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>·BALL::PDB::RecordSCALE1::transformation_matrix[4]</td>130 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>·BALL::PDB::RecordSCALE1::transformation_matrix[4]</td>
131 ········</tr>131 ········</tr>
132 ······</table>132 ······</table>
133 </div><div·class="memdoc">133 </div><div·class="memdoc">
  
134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00936">936</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00936">936</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
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173 <div·class="line"><a·id="l00203"·name="l00203"></a><span·class="lineno">··203</span>}·<span·class="comment">//·namespace·BALL</span></div>173 <div·class="line"><a·id="l00203"·name="l00203"></a><span·class="lineno">··203</span>}·<span·class="comment">//·namespace·BALL</span></div>
174 <div·class="line"><a·id="l00204"·name="l00204"></a><span·class="lineno">··204</span>·</div>174 <div·class="line"><a·id="l00204"·name="l00204"></a><span·class="lineno">··204</span>·</div>
175 <div·class="line"><a·id="l00205"·name="l00205"></a><span·class="lineno">··205</span><span·class="preprocessor">#endif·</span><span·class="comment">//·BALL_KERNEL_FOREACH_H</span></div>175 <div·class="line"><a·id="l00205"·name="l00205"></a><span·class="lineno">··205</span><span·class="preprocessor">#endif·</span><span·class="comment">//·BALL_KERNEL_FOREACH_H</span></div>
176 <div·class="ttc"·id="aa02217_html"><div·class="ttname"><a·href="../../da/da2/a02217.html">BALL</a></div><div·class="ttdef"><b>Definition:</b>·<a·href="../../d0/d2b/a01010_source.html#l00012">constants.h:13</a></div></div>176 <div·class="ttc"·id="aa02217_html"><div·class="ttname"><a·href="../../da/da2/a02217.html">BALL</a></div><div·class="ttdef"><b>Definition:</b>·<a·href="../../da/dd1/a00629_source.html#l00012">constants.h:13</a></div></div>
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89 <p·>Default·surface·type.·</p>89 <p·>Default·surface·type.·</p>
  
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71 ··<div·class="headertitle"><div·class="title">vertex1.h·File·Reference</div></div>64 ··<div·class="headertitle"><div·class="title">models.doc·File·Reference</div></div>
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73 <div·class="contents">66 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/> 
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76 <code>#include·&lt;BALL/VIEW/DATATYPE/vertex1.iC&gt;</code><br·/> 
77 </div> 
78 <p><a·href="../../de/d3c/a01490_source.html">Go·to·the·source·code·of·this·file.</a></p> 
79 <table·class="memberdecls"> 
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75 <code>#include·&lt;list&gt;</code><br·/> 
76 <code>#include·&lt;QtCore/QReadWriteLock&gt;</code><br·/> 
77 </div>75 </div>
78 <p><a·href="../../de/d3e/a01676_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../de/d3e/a01676_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">77 <table·class="memberdecls">
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 82 </table><table·class="memberdecls">
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 88 <tr·class="separator:ga9218f82d3ead1eaf6bde77211edfd388"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 89 <tr·class="memitem:ga78b79e960382b807086e0758115f62d4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/daf/a02191.html#ga78b79e960382b807086e0758115f62d4">BALL::calculateSESVolume</a>·(const·AtomContainer·&amp;fragment,·<a·class="el"·href="../../de/ded/a09238.html">float</a>·probe_radius=1.5)</td></tr>
 90 <tr·class="separator:ga78b79e960382b807086e0758115f62d4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table>91 </table>
90 </div><!--·contents·-->92 </div><!--·contents·-->
91 <!--·start·footer·part·-->93 <!--·start·footer·part·-->
92 <hr·class="footer"/><address·class="footer"><small>94 <hr·class="footer"/><address·class="footer"><small>
93 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.495 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../df/d48/a04287.html">List·of·all·members</a>··</div>71 <a·href="../../df/d48/a04287.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordORIGX3·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordORIGX3·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a8ccdc0103b05e4ca5c6bb99a81ed098e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d3f/a04290.html#a8ccdc0103b05e4ca5c6bb99a81ed098e">record_type</a></td></tr>79 <tr·class="memitem:a8ccdc0103b05e4ca5c6bb99a81ed098e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d3f/a04290.html#a8ccdc0103b05e4ca5c6bb99a81ed098e">record_type</a></td></tr>
80 <tr·class="separator:a8ccdc0103b05e4ca5c6bb99a81ed098e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a8ccdc0103b05e4ca5c6bb99a81ed098e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a4a65a9a368209405342299f9809091c4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d3f/a04290.html#a4a65a9a368209405342299f9809091c4">record_name</a></td></tr>81 <tr·class="memitem:a4a65a9a368209405342299f9809091c4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d3f/a04290.html#a4a65a9a368209405342299f9809091c4">record_name</a></td></tr>
82 <tr·class="separator:a4a65a9a368209405342299f9809091c4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a4a65a9a368209405342299f9809091c4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:aafb65b9be3c304a3b633435cba243385"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d3f/a04290.html#aafb65b9be3c304a3b633435cba243385">transformation_matrix</a>·[4]</td></tr>83 <tr·class="memitem:aafb65b9be3c304a3b633435cba243385"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d3f/a04290.html#aafb65b9be3c304a3b633435cba243385">transformation_matrix</a>·[4]</td></tr>
84 <tr·class="separator:aafb65b9be3c304a3b633435cba243385"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:aafb65b9be3c304a3b633435cba243385"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock">87 <div·class="textblock">
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00904">904</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00904">904</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="a4a65a9a368209405342299f9809091c4"·name="a4a65a9a368209405342299f9809091c4"></a>90 <a·id="a4a65a9a368209405342299f9809091c4"·name="a4a65a9a368209405342299f9809091c4"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#a4a65a9a368209405342299f9809091c4">&#9670;&nbsp;</a></span>record_name</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#a4a65a9a368209405342299f9809091c4">&#9670;&nbsp;</a></span>record_name</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
93 <div·class="memproto">93 <div·class="memproto">
94 ······<table·class="memname">94 ······<table·class="memname">
95 ········<tr>95 ········<tr>
96 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordORIGX3::record_name</td>96 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordORIGX3::record_name</td>
97 ········</tr>97 ········</tr>
98 ······</table>98 ······</table>
99 </div><div·class="memdoc">99 </div><div·class="memdoc">
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00907">907</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00907">907</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
101 </div>101 </div>
102 </div>102 </div>
103 <a·id="a8ccdc0103b05e4ca5c6bb99a81ed098e"·name="a8ccdc0103b05e4ca5c6bb99a81ed098e"></a>103 <a·id="a8ccdc0103b05e4ca5c6bb99a81ed098e"·name="a8ccdc0103b05e4ca5c6bb99a81ed098e"></a>
104 <h2·class="memtitle"><span·class="permalink"><a·href="#a8ccdc0103b05e4ca5c6bb99a81ed098e">&#9670;&nbsp;</a></span>record_type</h2>104 <h2·class="memtitle"><span·class="permalink"><a·href="#a8ccdc0103b05e4ca5c6bb99a81ed098e">&#9670;&nbsp;</a></span>record_type</h2>
  
105 <div·class="memitem">105 <div·class="memitem">
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113 ········<tr>113 ········<tr>
114 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordORIGX3::record_type</td>114 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordORIGX3::record_type</td>
115 ········</tr>115 ········</tr>
116 ······</table>116 ······</table>
117 </div><div·class="memdoc">117 </div><div·class="memdoc">
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00906">906</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00906">906</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
119 </div>119 </div>
120 </div>120 </div>
121 <a·id="aafb65b9be3c304a3b633435cba243385"·name="aafb65b9be3c304a3b633435cba243385"></a>121 <a·id="aafb65b9be3c304a3b633435cba243385"·name="aafb65b9be3c304a3b633435cba243385"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#aafb65b9be3c304a3b633435cba243385">&#9670;&nbsp;</a></span>transformation_matrix</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#aafb65b9be3c304a3b633435cba243385">&#9670;&nbsp;</a></span>transformation_matrix</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
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128 ······<table·class="memname">128 ······<table·class="memname">
129 ········<tr>129 ········<tr>
130 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>·BALL::PDB::RecordORIGX3::transformation_matrix[4]</td>130 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>·BALL::PDB::RecordORIGX3::transformation_matrix[4]</td>
131 ········</tr>131 ········</tr>
132 ······</table>132 ······</table>
133 </div><div·class="memdoc">133 </div><div·class="memdoc">
  
134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00908">908</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00908">908</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
135 </div>135 </div>
136 </div>136 </div>
137 </div><!--·contents·-->137 </div><!--·contents·-->
138 <!--·start·footer·part·-->138 <!--·start·footer·part·-->
139 <hr·class="footer"/><address·class="footer"><small>139 <hr·class="footer"/><address·class="footer"><small>
140 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4140 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d6/dfe/a07715.html">List·of·all·members</a>··</div>70 <a·href="../../d6/dfe/a07715.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ServerPreferences·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ServerPreferences·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../df/d68/a01385_source.html">BALL/VIEW/DIALOGS/serverPreferences.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d9/d31/a01208_source.html">BALL/VIEW/DIALOGS/serverPreferences.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::ServerPreferences:</div>76 Inheritance·diagram·for·BALL::VIEW::ServerPreferences:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../de/d40/a07718.png"·usemap="#BALL::VIEW::ServerPreferences_map"·alt=""/>79 ··<img·src="../../de/d40/a07718.png"·usemap="#BALL::VIEW::ServerPreferences_map"·alt=""/>
80 ··<map·id="BALL::VIEW::ServerPreferences_map"·name="BALL::VIEW::ServerPreferences_map">80 ··<map·id="BALL::VIEW::ServerPreferences_map"·name="BALL::VIEW::ServerPreferences_map">
81 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,195,24"/>81 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,195,24"/>
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186 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>186 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
187 </table>187 </table>
188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
189 <div·class="textblock"><p·><a·class="el"·href="../../dc/da1/a07694.html">Preferences</a>·tab·for·the·Server.·It·will·be·created·by·the·Server·object·in·the·Server::initializePreferencesTab·and·will·be·inserted·into·the·<a·class="el"·href="../../dc/da1/a07694.html">Preferences</a>·dialog·by·the·<a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>.·There·are·currently·two·settings:·The·port·on·which·the·data·will·be·received·and·if·the·server·will·accept·connections.·<br··/>189 <div·class="textblock"><p·><a·class="el"·href="../../dc/da1/a07694.html">Preferences</a>·tab·for·the·Server.·It·will·be·created·by·the·Server·object·in·the·Server::initializePreferencesTab·and·will·be·inserted·into·the·<a·class="el"·href="../../dc/da1/a07694.html">Preferences</a>·dialog·by·the·<a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>.·There·are·currently·two·settings:·The·port·on·which·the·data·will·be·received·and·if·the·server·will·accept·connections.·<br··/>
190 ·This·is·one·of·the·view·dialogs,·that·is·not·implemented·by·an·ui-file!</p>190 ·This·is·one·of·the·view·dialogs,·that·is·not·implemented·by·an·ui-file!</p>
191 <dl·class="deprecated"><dt><b><a·class="el"·href="../../db/d34/a02118.html#_deprecated000013">Deprecated:</a></b></dt><dd>Use·<a·class="el"·href="../../de/dd0/a05590.html">PyServer</a>·instead·</dd></dl>191 <dl·class="deprecated"><dt><b><a·class="el"·href="../../db/d34/a02118.html#_deprecated000013">Deprecated:</a></b></dt><dd>Use·<a·class="el"·href="../../de/dd0/a05590.html">PyServer</a>·instead·</dd></dl>
  
192 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d68/a01385_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../df/d68/a01385_source.html">serverPreferences.h</a>.</p>192 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d31/a01208_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d9/d31/a01208_source.html">serverPreferences.h</a>.</p>
193 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>193 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
194 <a·id="a4edcb82d61cbc24f6d0c9fd14b6ba6b8"·name="a4edcb82d61cbc24f6d0c9fd14b6ba6b8"></a>194 <a·id="a4edcb82d61cbc24f6d0c9fd14b6ba6b8"·name="a4edcb82d61cbc24f6d0c9fd14b6ba6b8"></a>
195 <h2·class="memtitle"><span·class="permalink"><a·href="#a4edcb82d61cbc24f6d0c9fd14b6ba6b8">&#9670;&nbsp;</a></span>ServerPreferences()</h2>195 <h2·class="memtitle"><span·class="permalink"><a·href="#a4edcb82d61cbc24f6d0c9fd14b6ba6b8">&#9670;&nbsp;</a></span>ServerPreferences()</h2>
  
196 <div·class="memitem">196 <div·class="memitem">
197 <div·class="memproto">197 <div·class="memproto">
198 ······<table·class="memname">198 ······<table·class="memname">
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71 <a·href="#pub-types">Public·Types</a>·&#124;71 <a·href="#pub-types">Public·Types</a>·&#124;
72 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;72 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
73 <a·href="../../dc/d6b/a04731.html">List·of·all·members</a>··</div>73 <a·href="../../dc/d6b/a04731.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::ConnectedToPredicate::CTPNode·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::ConnectedToPredicate::CTPNode·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
80 Public·Types</h2></td></tr>80 Public·Types</h2></td></tr>
81 <tr·class="memitem:ae89af724912c5c6be3fb8545e9ccaaa2"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d41/a04734.html#ae89af724912c5c6be3fb8545e9ccaaa2">BondType</a>·{·<br·/>81 <tr·class="memitem:ae89af724912c5c6be3fb8545e9ccaaa2"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d41/a04734.html#ae89af724912c5c6be3fb8545e9ccaaa2">BondType</a>·{·<br·/>
82 &#160;&#160;<a·class="el"·href="../../de/d41/a04734.html#ae89af724912c5c6be3fb8545e9ccaaa2a39af3455be771a04ef6a4f09389461ca">BONDTYPE__UNINITIALISED</a>·=·082 &#160;&#160;<a·class="el"·href="../../de/d41/a04734.html#ae89af724912c5c6be3fb8545e9ccaaa2a39af3455be771a04ef6a4f09389461ca">BONDTYPE__UNINITIALISED</a>·=·0
83 ,·<a·class="el"·href="../../de/d41/a04734.html#ae89af724912c5c6be3fb8545e9ccaaa2a19c65b2d46a9fd23fc8bccc8d86dbb6f">BONDTYPE__ANY</a>·=·183 ,·<a·class="el"·href="../../de/d41/a04734.html#ae89af724912c5c6be3fb8545e9ccaaa2a19c65b2d46a9fd23fc8bccc8d86dbb6f">BONDTYPE__ANY</a>·=·1
84 ,·<a·class="el"·href="../../de/d41/a04734.html#ae89af724912c5c6be3fb8545e9ccaaa2ac6a75d7d1af3f6fadc4546a5442bddbe">BONDTYPE__SINGLE</a>·=·284 ,·<a·class="el"·href="../../de/d41/a04734.html#ae89af724912c5c6be3fb8545e9ccaaa2ac6a75d7d1af3f6fadc4546a5442bddbe">BONDTYPE__SINGLE</a>·=·2
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153 <tr·class="memitem:a474f9e30655d64f87ff709dfc3591c7a"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d41/a04734.html#a474f9e30655d64f87ff709dfc3591c7a">linkWith</a>·(<a·class="el"·href="../../de/d41/a04734.html">CTPNode</a>·*partner)</td></tr>153 <tr·class="memitem:a474f9e30655d64f87ff709dfc3591c7a"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d41/a04734.html#a474f9e30655d64f87ff709dfc3591c7a">linkWith</a>·(<a·class="el"·href="../../de/d41/a04734.html">CTPNode</a>·*partner)</td></tr>
154 <tr·class="separator:a474f9e30655d64f87ff709dfc3591c7a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>154 <tr·class="separator:a474f9e30655d64f87ff709dfc3591c7a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
155 <tr·class="memitem:aec146ae4d9206a36f27be9e94c1e7f1b"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d4/d8b/a03538.html">HashSet</a>&lt;·<a·class="el"·href="../../de/d41/a04734.html">CTPNode</a>·*·&gt;·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d41/a04734.html#aec146ae4d9206a36f27be9e94c1e7f1b">getLinkSet</a>·()·const</td></tr>155 <tr·class="memitem:aec146ae4d9206a36f27be9e94c1e7f1b"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d4/d8b/a03538.html">HashSet</a>&lt;·<a·class="el"·href="../../de/d41/a04734.html">CTPNode</a>·*·&gt;·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d41/a04734.html#aec146ae4d9206a36f27be9e94c1e7f1b">getLinkSet</a>·()·const</td></tr>
156 <tr·class="separator:aec146ae4d9206a36f27be9e94c1e7f1b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>156 <tr·class="separator:aec146ae4d9206a36f27be9e94c1e7f1b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
157 </table>157 </table>
158 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>158 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
159 <div·class="textblock">159 <div·class="textblock">
160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00486">486</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00486">486</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
161 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>161 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
162 <a·id="a7251cb8ff0f13789296c2f053878e90b"·name="a7251cb8ff0f13789296c2f053878e90b"></a>162 <a·id="a7251cb8ff0f13789296c2f053878e90b"·name="a7251cb8ff0f13789296c2f053878e90b"></a>
163 <h2·class="memtitle"><span·class="permalink"><a·href="#a7251cb8ff0f13789296c2f053878e90b">&#9670;&nbsp;</a></span>ConstIterator</h2>163 <h2·class="memtitle"><span·class="permalink"><a·href="#a7251cb8ff0f13789296c2f053878e90b">&#9670;&nbsp;</a></span>ConstIterator</h2>
  
164 <div·class="memitem">164 <div·class="memitem">
165 <div·class="memproto">165 <div·class="memproto">
166 ······<table·class="memname">166 ······<table·class="memname">
167 ········<tr>167 ········<tr>
168 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../de/d41/a04734.html">CTPNode</a>*&gt;::const_iterator·<a·class="el"·href="../../de/d41/a04734.html#a7251cb8ff0f13789296c2f053878e90b">BALL::ConnectedToPredicate::CTPNode::ConstIterator</a></td>168 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../de/d41/a04734.html">CTPNode</a>*&gt;::const_iterator·<a·class="el"·href="../../de/d41/a04734.html#a7251cb8ff0f13789296c2f053878e90b">BALL::ConnectedToPredicate::CTPNode::ConstIterator</a></td>
169 ········</tr>169 ········</tr>
170 ······</table>170 ······</table>
171 </div><div·class="memdoc">171 </div><div·class="memdoc">
  
172 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00502">502</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>172 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00502">502</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
  
173 </div>173 </div>
174 </div>174 </div>
175 <a·id="afe81cda4625040643f07e06f8790118e"·name="afe81cda4625040643f07e06f8790118e"></a>175 <a·id="afe81cda4625040643f07e06f8790118e"·name="afe81cda4625040643f07e06f8790118e"></a>
176 <h2·class="memtitle"><span·class="permalink"><a·href="#afe81cda4625040643f07e06f8790118e">&#9670;&nbsp;</a></span>Iterator</h2>176 <h2·class="memtitle"><span·class="permalink"><a·href="#afe81cda4625040643f07e06f8790118e">&#9670;&nbsp;</a></span>Iterator</h2>
  
177 <div·class="memitem">177 <div·class="memitem">
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183 ······<table·class="memname">183 ······<table·class="memname">
184 ········<tr>184 ········<tr>
185 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../de/d41/a04734.html">CTPNode</a>*&gt;::iterator·<a·class="el"·href="../../de/d41/a04734.html#afe81cda4625040643f07e06f8790118e">BALL::ConnectedToPredicate::CTPNode::Iterator</a></td>185 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../de/d41/a04734.html">CTPNode</a>*&gt;::iterator·<a·class="el"·href="../../de/d41/a04734.html#afe81cda4625040643f07e06f8790118e">BALL::ConnectedToPredicate::CTPNode::Iterator</a></td>
186 ········</tr>186 ········</tr>
187 ······</table>187 ······</table>
188 </div><div·class="memdoc">188 </div><div·class="memdoc">
  
189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00501">501</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00501">501</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
  
190 </div>190 </div>
191 </div>191 </div>
192 <h2·class="groupheader">Member·Enumeration·Documentation</h2>192 <h2·class="groupheader">Member·Enumeration·Documentation</h2>
193 <a·id="ae89af724912c5c6be3fb8545e9ccaaa2"·name="ae89af724912c5c6be3fb8545e9ccaaa2"></a>193 <a·id="ae89af724912c5c6be3fb8545e9ccaaa2"·name="ae89af724912c5c6be3fb8545e9ccaaa2"></a>
194 <h2·class="memtitle"><span·class="permalink"><a·href="#ae89af724912c5c6be3fb8545e9ccaaa2">&#9670;&nbsp;</a></span>BondType</h2>194 <h2·class="memtitle"><span·class="permalink"><a·href="#ae89af724912c5c6be3fb8545e9ccaaa2">&#9670;&nbsp;</a></span>BondType</h2>
  
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209 <tr><td·class="fieldname"><a·id="ae89af724912c5c6be3fb8545e9ccaaa2ac6a75d7d1af3f6fadc4546a5442bddbe"·name="ae89af724912c5c6be3fb8545e9ccaaa2ac6a75d7d1af3f6fadc4546a5442bddbe"></a>BONDTYPE__SINGLE&#160;</td><td·class="fielddoc"></td></tr>209 <tr><td·class="fieldname"><a·id="ae89af724912c5c6be3fb8545e9ccaaa2ac6a75d7d1af3f6fadc4546a5442bddbe"·name="ae89af724912c5c6be3fb8545e9ccaaa2ac6a75d7d1af3f6fadc4546a5442bddbe"></a>BONDTYPE__SINGLE&#160;</td><td·class="fielddoc"></td></tr>
210 <tr><td·class="fieldname"><a·id="ae89af724912c5c6be3fb8545e9ccaaa2a30c7e5e78899eb2031ec3af61cf7168c"·name="ae89af724912c5c6be3fb8545e9ccaaa2a30c7e5e78899eb2031ec3af61cf7168c"></a>BONDTYPE__DOUBLE&#160;</td><td·class="fielddoc"></td></tr>210 <tr><td·class="fieldname"><a·id="ae89af724912c5c6be3fb8545e9ccaaa2a30c7e5e78899eb2031ec3af61cf7168c"·name="ae89af724912c5c6be3fb8545e9ccaaa2a30c7e5e78899eb2031ec3af61cf7168c"></a>BONDTYPE__DOUBLE&#160;</td><td·class="fielddoc"></td></tr>
211 <tr><td·class="fieldname"><a·id="ae89af724912c5c6be3fb8545e9ccaaa2a85c2cb4db21b7e751803b01f47b3cef0"·name="ae89af724912c5c6be3fb8545e9ccaaa2a85c2cb4db21b7e751803b01f47b3cef0"></a>BONDTYPE__TRIPLE&#160;</td><td·class="fielddoc"></td></tr>211 <tr><td·class="fieldname"><a·id="ae89af724912c5c6be3fb8545e9ccaaa2a85c2cb4db21b7e751803b01f47b3cef0"·name="ae89af724912c5c6be3fb8545e9ccaaa2a85c2cb4db21b7e751803b01f47b3cef0"></a>BONDTYPE__TRIPLE&#160;</td><td·class="fielddoc"></td></tr>
212 <tr><td·class="fieldname"><a·id="ae89af724912c5c6be3fb8545e9ccaaa2ad52b4bb468e6d41dccfe524b8fd30c78"·name="ae89af724912c5c6be3fb8545e9ccaaa2ad52b4bb468e6d41dccfe524b8fd30c78"></a>BONDTYPE__QUADRUPLE&#160;</td><td·class="fielddoc"></td></tr>212 <tr><td·class="fieldname"><a·id="ae89af724912c5c6be3fb8545e9ccaaa2ad52b4bb468e6d41dccfe524b8fd30c78"·name="ae89af724912c5c6be3fb8545e9ccaaa2ad52b4bb468e6d41dccfe524b8fd30c78"></a>BONDTYPE__QUADRUPLE&#160;</td><td·class="fielddoc"></td></tr>
213 <tr><td·class="fieldname"><a·id="ae89af724912c5c6be3fb8545e9ccaaa2a5bfbc8ecbf095ac6d30bd0a34a45aa11"·name="ae89af724912c5c6be3fb8545e9ccaaa2a5bfbc8ecbf095ac6d30bd0a34a45aa11"></a>BONDTYPE__AROMATIC&#160;</td><td·class="fielddoc"></td></tr>213 <tr><td·class="fieldname"><a·id="ae89af724912c5c6be3fb8545e9ccaaa2a5bfbc8ecbf095ac6d30bd0a34a45aa11"·name="ae89af724912c5c6be3fb8545e9ccaaa2a5bfbc8ecbf095ac6d30bd0a34a45aa11"></a>BONDTYPE__AROMATIC&#160;</td><td·class="fielddoc"></td></tr>
214 </table>214 </table>
  
215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00490">490</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00490">490</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
  
216 </div>216 </div>
217 </div>217 </div>
218 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>218 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
219 <a·id="a9a5e115e47ee7742058378ff07cf267b"·name="a9a5e115e47ee7742058378ff07cf267b"></a>219 <a·id="a9a5e115e47ee7742058378ff07cf267b"·name="a9a5e115e47ee7742058378ff07cf267b"></a>
220 <h2·class="memtitle"><span·class="permalink"><a·href="#a9a5e115e47ee7742058378ff07cf267b">&#9670;&nbsp;</a></span>CTPNode()·<span·class="overload">[1/2]</span></h2>220 <h2·class="memtitle"><span·class="permalink"><a·href="#a9a5e115e47ee7742058378ff07cf267b">&#9670;&nbsp;</a></span>CTPNode()·<span·class="overload">[1/2]</span></h2>
  
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4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>
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8 <title>BALL:·ldaModel.h·File·Reference</title>8 <title>BALL:·scoringComponent.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_a7dfdbc559f1e3def0943b68d93d2e00.html">COMMON</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">ldaModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">scoringComponent.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d1e/a02093_source.html">BALL/QSAR/classificationModel.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d6/d90/a01964_source.html">BALL/SCORING/COMMON/baseFunction.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d8b/a02060_source.html">BALL/QSAR/statistics.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
76 </div>78 </div>
77 <p><a·href="../../de/d46/a01967_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../de/d46/a01967_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">80 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
80 Classes</h2></td></tr>82 Classes</h2></td></tr>
81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d55/a05750.html">BALL::QSAR::LDAModel</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>
82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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85 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 </table>90 </table>
91 </div><!--·contents·-->91 </div><!--·contents·-->
92 <!--·start·footer·part·-->92 <!--·start·footer·part·-->
93 <hr·class="footer"/><address·class="footer"><small>93 <hr·class="footer"/><address·class="footer"><small>
94 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.494 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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73 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCON062·Struct·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCON062·Struct·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:aea53cbf757358ce8267a76d7e33b904c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d5a/a04142.html#aea53cbf757358ce8267a76d7e33b904c">clear</a>·()</td></tr>80 <tr·class="memitem:aea53cbf757358ce8267a76d7e33b904c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d5a/a04142.html#aea53cbf757358ce8267a76d7e33b904c">clear</a>·()</td></tr>
81 <tr·class="separator:aea53cbf757358ce8267a76d7e33b904c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:aea53cbf757358ce8267a76d7e33b904c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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92 <tr·class="memitem:aea9d1e463aa1773fff3fdbb80fcb293a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d5a/a04142.html#aea9d1e463aa1773fff3fdbb80fcb293a">bond_atom</a>·[1]</td></tr>92 <tr·class="memitem:aea9d1e463aa1773fff3fdbb80fcb293a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d5a/a04142.html#aea9d1e463aa1773fff3fdbb80fcb293a">bond_atom</a>·[1]</td></tr>
93 <tr·class="separator:aea9d1e463aa1773fff3fdbb80fcb293a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:aea9d1e463aa1773fff3fdbb80fcb293a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>94 </table>
95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock">96 <div·class="textblock">
97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00513">513</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00513">513</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
98 </div><h2·class="groupheader">Member·Function·Documentation</h2>98 </div><h2·class="groupheader">Member·Function·Documentation</h2>
99 <a·id="aea53cbf757358ce8267a76d7e33b904c"·name="aea53cbf757358ce8267a76d7e33b904c"></a>99 <a·id="aea53cbf757358ce8267a76d7e33b904c"·name="aea53cbf757358ce8267a76d7e33b904c"></a>
100 <h2·class="memtitle"><span·class="permalink"><a·href="#aea53cbf757358ce8267a76d7e33b904c">&#9670;&nbsp;</a></span>clear()</h2>100 <h2·class="memtitle"><span·class="permalink"><a·href="#aea53cbf757358ce8267a76d7e33b904c">&#9670;&nbsp;</a></span>clear()</h2>
  
101 <div·class="memitem">101 <div·class="memitem">
102 <div·class="memproto">102 <div·class="memproto">
103 <table·class="mlabels">103 <table·class="mlabels">
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116 ··<td·class="mlabels-right">116 ··<td·class="mlabels-right">
117 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>117 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
118 ··</tr>118 ··</tr>
119 </table>119 </table>
120 </div><div·class="memdoc">120 </div><div·class="memdoc">
  
121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00520">520</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00520">520</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
122 </div>122 </div>
123 </div>123 </div>
124 <h2·class="groupheader">Member·Data·Documentation</h2>124 <h2·class="groupheader">Member·Data·Documentation</h2>
125 <a·id="a107a912ba6999eeb38fccfa868122dda"·name="a107a912ba6999eeb38fccfa868122dda"></a>125 <a·id="a107a912ba6999eeb38fccfa868122dda"·name="a107a912ba6999eeb38fccfa868122dda"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a107a912ba6999eeb38fccfa868122dda">&#9670;&nbsp;</a></span>atom_serial_number</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a107a912ba6999eeb38fccfa868122dda">&#9670;&nbsp;</a></span>atom_serial_number</h2>
  
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134 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON062::atom_serial_number</td>134 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON062::atom_serial_number</td>
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136 ······</table>136 ······</table>
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139 </div>139 </div>
140 </div>140 </div>
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142 <h2·class="memtitle"><span·class="permalink"><a·href="#aea9d1e463aa1773fff3fdbb80fcb293a">&#9670;&nbsp;</a></span>bond_atom</h2>142 <h2·class="memtitle"><span·class="permalink"><a·href="#aea9d1e463aa1773fff3fdbb80fcb293a">&#9670;&nbsp;</a></span>bond_atom</h2>
  
143 <div·class="memitem">143 <div·class="memitem">
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151 ········</tr>151 ········</tr>
152 ······</table>152 ······</table>
153 </div><div·class="memdoc">153 </div><div·class="memdoc">
  
154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00518">518</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00518">518</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
155 </div>155 </div>
156 </div>156 </div>
157 <a·id="a08198e845a0c67993f452cc15c13f520"·name="a08198e845a0c67993f452cc15c13f520"></a>157 <a·id="a08198e845a0c67993f452cc15c13f520"·name="a08198e845a0c67993f452cc15c13f520"></a>
158 <h2·class="memtitle"><span·class="permalink"><a·href="#a08198e845a0c67993f452cc15c13f520">&#9670;&nbsp;</a></span>record_name</h2>158 <h2·class="memtitle"><span·class="permalink"><a·href="#a08198e845a0c67993f452cc15c13f520">&#9670;&nbsp;</a></span>record_name</h2>
  
159 <div·class="memitem">159 <div·class="memitem">
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165 ········<tr>165 ········<tr>
166 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordCON062::record_name</td>166 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordCON062::record_name</td>
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168 ······</table>168 ······</table>
169 </div><div·class="memdoc">169 </div><div·class="memdoc">
  
170 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00516">516</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>170 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00516">516</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
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174 <h2·class="memtitle"><span·class="permalink"><a·href="#a4fa88737e896a7c984b02a34ec811b69">&#9670;&nbsp;</a></span>record_type</h2>174 <h2·class="memtitle"><span·class="permalink"><a·href="#a4fa88737e896a7c984b02a34ec811b69">&#9670;&nbsp;</a></span>record_type</h2>
  
175 <div·class="memitem">175 <div·class="memitem">
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182 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordCON062::record_type</td>182 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordCON062::record_type</td>
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188 </div>188 </div>
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73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
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78 <p><a·href="../../de/d5c/a01358_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../de/d5c/a01358_source.html">Go·to·the·source·code·of·this·file.</a></p>
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71 ··<div·class="headertitle"><div·class="title">BALL::ClearShiftProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d61/a02179.html">Nuclear·Magnetic·Resonance·Spectroscopy</a>·&raquo;·<a·class="el"·href="../../d5/db4/a02182.html">Shift·modules</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::ClearShiftProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d61/a02179.html">Nuclear·Magnetic·Resonance·Spectroscopy</a>·&raquo;·<a·class="el"·href="../../d5/db4/a02182.html">Shift·modules</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d3/def/a00446_source.html">BALL/NMR/clearShiftProcessor.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d0/da4/a01631_source.html">BALL/NMR/clearShiftProcessor.h</a>&gt;</code></p>
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76 Inheritance·diagram·for·BALL::ClearShiftProcessor:</div>76 Inheritance·diagram·for·BALL::ClearShiftProcessor:</div>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_0f44562fa0092558829ef2f34049a706.html">MODELS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">atomBondModelBaseProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">lightSettings.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d7d/a01880_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d9/d30/a00848_source.html">BALL/CONCEPT/embeddable.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../dd/d43/a01193_source.html">BALL/VIEW/MODELS/modelProcessor.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d2/d41/a01037_source.html">BALL/VIEW/KERNEL/stage.h</a>&gt;</code><br·/>
76 <code>#include·&lt;BALL/VIEW/MODELS/atomBondModelBaseProcessor.iC&gt;</code><br·/>78 <code>#include·&lt;BALL/VIEW/UIC/ui_lightSettings.h&gt;</code><br·/>
77 </div>79 </div>
78 <p><a·href="../../de/d61/a01205_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../de/d61/a01205_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">81 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
86 Namespaces</h2></td></tr>88 Namespaces</h2></td></tr>
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73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
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75 <code>#include·&lt;<a·class="el"·href="../../d2/d21/a01484_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d3/da4/a01343_source.html">BALL/VIEW/DATATYPE/colorUnit.h</a>&gt;</code><br·/>
76 <code>#include·&lt;BALL/VIEW/UIC/ui_contourSurfaceDialog.h&gt;</code><br·/>78 <code>#include·&lt;iostream&gt;</code><br·/>
 79 <code>#include·&lt;cstdio&gt;</code><br·/>
 80 <code>#include·&lt;BALL/VIEW/DATATYPE/colorUnitHue.iC&gt;</code><br·/>
77 </div>81 </div>
78 <p><a·href="../../de/d6c/a01349_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../de/d6c/a01349_source.html">Go·to·the·source·code·of·this·file.</a></p>
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76 <code>#include·&lt;BALL/VIEW/UIC/ui_materialSettings.h&gt;</code><br·/> 
77 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/> 
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80 <p><a·href="../../de/d70/a01415_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../de/d70/a01415_source.html">Go·to·the·source·code·of·this·file.</a></p>
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73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::AnimationThread·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::AnimationThread·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d2/dc1/a01562_source.html">BALL/VIEW/WIDGETS/scene.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/VIEW/WIDGETS/scene.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
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82 ··<map·id="BALL::VIEW::AnimationThread_map"·name="BALL::VIEW::AnimationThread_map">82 ··<map·id="BALL::VIEW::AnimationThread_map"·name="BALL::VIEW::AnimationThread_map">
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104 <tr·class="separator:acb94b894437f10bd965078c622893931"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:acb94b894437f10bd965078c622893931"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
107 <div·class="textblock">107 <div·class="textblock">
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dc1/a01562_source.html#l00935">935</a>·of·file·<a·class="el"·href="../../d2/dc1/a01562_source.html">scene.h</a>.</p>108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbd/a01100_source.html#l00935">935</a>·of·file·<a·class="el"·href="../../d3/dbd/a01100_source.html">scene.h</a>.</p>
109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
110 <a·id="ad8eb9ff06b71cdac7fd7a7ccfc4fe24d"·name="ad8eb9ff06b71cdac7fd7a7ccfc4fe24d"></a>110 <a·id="ad8eb9ff06b71cdac7fd7a7ccfc4fe24d"·name="ad8eb9ff06b71cdac7fd7a7ccfc4fe24d"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#ad8eb9ff06b71cdac7fd7a7ccfc4fe24d">&#9670;&nbsp;</a></span>AnimationThread()</h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#ad8eb9ff06b71cdac7fd7a7ccfc4fe24d">&#9670;&nbsp;</a></span>AnimationThread()</h2>
  
112 <div·class="memitem">112 <div·class="memitem">
113 <div·class="memproto">113 <div·class="memproto">
114 <table·class="mlabels">114 <table·class="mlabels">
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126 ··</td>126 ··</td>
127 ··<td·class="mlabels-right">127 ··<td·class="mlabels-right">
128 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>128 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
129 ··</tr>129 ··</tr>
130 </table>130 </table>
131 </div><div·class="memdoc">131 </div><div·class="memdoc">
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dc1/a01562_source.html#l00941">941</a>·of·file·<a·class="el"·href="../../d2/dc1/a01562_source.html">scene.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbd/a01100_source.html#l00941">941</a>·of·file·<a·class="el"·href="../../d3/dbd/a01100_source.html">scene.h</a>.</p>
  
133 </div>133 </div>
134 </div>134 </div>
135 <h2·class="groupheader">Member·Function·Documentation</h2>135 <h2·class="groupheader">Member·Function·Documentation</h2>
136 <a·id="a7f41dcb0dd927fc4780b68c55f9a6fea"·name="a7f41dcb0dd927fc4780b68c55f9a6fea"></a>136 <a·id="a7f41dcb0dd927fc4780b68c55f9a6fea"·name="a7f41dcb0dd927fc4780b68c55f9a6fea"></a>
137 <h2·class="memtitle"><span·class="permalink"><a·href="#a7f41dcb0dd927fc4780b68c55f9a6fea">&#9670;&nbsp;</a></span>getScene()</h2>137 <h2·class="memtitle"><span·class="permalink"><a·href="#a7f41dcb0dd927fc4780b68c55f9a6fea">&#9670;&nbsp;</a></span>getScene()</h2>
  
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154 ··</td>154 ··</td>
155 ··<td·class="mlabels-right">155 ··<td·class="mlabels-right">
156 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>156 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
157 ··</tr>157 ··</tr>
158 </table>158 </table>
159 </div><div·class="memdoc">159 </div><div·class="memdoc">
  
160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dc1/a01562_source.html#l00953">953</a>·of·file·<a·class="el"·href="../../d2/dc1/a01562_source.html">scene.h</a>.</p>160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbd/a01100_source.html#l00953">953</a>·of·file·<a·class="el"·href="../../d3/dbd/a01100_source.html">scene.h</a>.</p>
  
161 </div>161 </div>
162 </div>162 </div>
163 <a·id="a38ffbb66356c89958d19089daf077538"·name="a38ffbb66356c89958d19089daf077538"></a>163 <a·id="a38ffbb66356c89958d19089daf077538"·name="a38ffbb66356c89958d19089daf077538"></a>
164 <h2·class="memtitle"><span·class="permalink"><a·href="#a38ffbb66356c89958d19089daf077538">&#9670;&nbsp;</a></span>mySleep()</h2>164 <h2·class="memtitle"><span·class="permalink"><a·href="#a38ffbb66356c89958d19089daf077538">&#9670;&nbsp;</a></span>mySleep()</h2>
  
165 <div·class="memitem">165 <div·class="memitem">
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199 ··</td>199 ··</td>
200 ··<td·class="mlabels-right">200 ··<td·class="mlabels-right">
201 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>201 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
202 ··</tr>202 ··</tr>
203 </table>203 </table>
204 </div><div·class="memdoc">204 </div><div·class="memdoc">
  
205 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dc1/a01562_source.html#l00944">944</a>·of·file·<a·class="el"·href="../../d2/dc1/a01562_source.html">scene.h</a>.</p>205 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbd/a01100_source.html#l00944">944</a>·of·file·<a·class="el"·href="../../d3/dbd/a01100_source.html">scene.h</a>.</p>
  
206 </div>206 </div>
207 </div>207 </div>
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209 <h2·class="memtitle"><span·class="permalink"><a·href="#aa0c089eac894d298dcdb33ec3d6ec7b8">&#9670;&nbsp;</a></span>setScene()</h2>209 <h2·class="memtitle"><span·class="permalink"><a·href="#aa0c089eac894d298dcdb33ec3d6ec7b8">&#9670;&nbsp;</a></span>setScene()</h2>
  
210 <div·class="memitem">210 <div·class="memitem">
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227 ··</td>227 ··</td>
228 ··<td·class="mlabels-right">228 ··<td·class="mlabels-right">
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233 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dc1/a01562_source.html#l00950">950</a>·of·file·<a·class="el"·href="../../d2/dc1/a01562_source.html">scene.h</a>.</p>233 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbd/a01100_source.html#l00950">950</a>·of·file·<a·class="el"·href="../../d3/dbd/a01100_source.html">scene.h</a>.</p>
  
234 </div>234 </div>
235 </div>235 </div>
236 <h2·class="groupheader">Member·Data·Documentation</h2>236 <h2·class="groupheader">Member·Data·Documentation</h2>
237 <a·id="acb94b894437f10bd965078c622893931"·name="acb94b894437f10bd965078c622893931"></a>237 <a·id="acb94b894437f10bd965078c622893931"·name="acb94b894437f10bd965078c622893931"></a>
238 <h2·class="memtitle"><span·class="permalink"><a·href="#acb94b894437f10bd965078c622893931">&#9670;&nbsp;</a></span>scene_</h2>238 <h2·class="memtitle"><span·class="permalink"><a·href="#acb94b894437f10bd965078c622893931">&#9670;&nbsp;</a></span>scene_</h2>
  
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252 ··</td>252 ··</td>
253 ··<td·class="mlabels-right">253 ··<td·class="mlabels-right">
254 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>254 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
255 ··</tr>255 ··</tr>
256 </table>256 </table>
257 </div><div·class="memdoc">257 </div><div·class="memdoc">
  
258 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dc1/a01562_source.html#l00957">957</a>·of·file·<a·class="el"·href="../../d2/dc1/a01562_source.html">scene.h</a>.</p>258 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbd/a01100_source.html#l00957">957</a>·of·file·<a·class="el"·href="../../d3/dbd/a01100_source.html">scene.h</a>.</p>
  
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262 <!--·start·footer·part·-->262 <!--·start·footer·part·-->
263 <hr·class="footer"/><address·class="footer"><small>263 <hr·class="footer"/><address·class="footer"><small>
264 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4264 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d1/d4b/a07031.html">List·of·all·members</a>··</div>70 <a·href="../../d1/d4b/a07031.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::RDFParameter·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/dc3/a02190.html">Radial·Distribution·Functions</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::RDFParameter·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/dc3/a02190.html">Radial·Distribution·Functions</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../dc/df1/a00662_source.html">BALL/STRUCTURE/RDFParameter.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../dd/de7/a01868_source.html">BALL/STRUCTURE/RDFParameter.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::RDFParameter:</div>76 Inheritance·diagram·for·BALL::RDFParameter:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../de/d75/a07034.png"·usemap="#BALL::RDFParameter_map"·alt=""/>79 ··<img·src="../../de/d75/a07034.png"·usemap="#BALL::RDFParameter_map"·alt=""/>
80 ··<map·id="BALL::RDFParameter_map"·name="BALL::RDFParameter_map">80 ··<map·id="BALL::RDFParameter_map"·name="BALL::RDFParameter_map">
81 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>81 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>
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183 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>183 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
184 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>184 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>
185 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>185 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
186 </table>186 </table>
187 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>187 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
188 <div·class="textblock"><p·>Parametersection·for·radial·distribution·function·?????·</p>188 <div·class="textblock"><p·>Parametersection·for·radial·distribution·function·?????·</p>
  
189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df1/a00662_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../dc/df1/a00662_source.html">RDFParameter.h</a>.</p>189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de7/a01868_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../dd/de7/a01868_source.html">RDFParameter.h</a>.</p>
190 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>190 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
191 <a·id="a730b653c5ce94e5f9eb34c059bfc7ce4"·name="a730b653c5ce94e5f9eb34c059bfc7ce4"></a>191 <a·id="a730b653c5ce94e5f9eb34c059bfc7ce4"·name="a730b653c5ce94e5f9eb34c059bfc7ce4"></a>
192 <h2·class="memtitle"><span·class="permalink"><a·href="#a730b653c5ce94e5f9eb34c059bfc7ce4">&#9670;&nbsp;</a></span>RDFParameter()·<span·class="overload">[1/2]</span></h2>192 <h2·class="memtitle"><span·class="permalink"><a·href="#a730b653c5ce94e5f9eb34c059bfc7ce4">&#9670;&nbsp;</a></span>RDFParameter()·<span·class="overload">[1/2]</span></h2>
  
193 <div·class="memitem">193 <div·class="memitem">
194 <div·class="memproto">194 <div·class="memproto">
195 ······<table·class="memname">195 ······<table·class="memname">
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534 ··</td>534 ··</td>
535 ··<td·class="mlabels-right">535 ··<td·class="mlabels-right">
536 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>536 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
537 ··</tr>537 ··</tr>
538 </table>538 </table>
539 </div><div·class="memdoc">539 </div><div·class="memdoc">
  
540 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df1/a00662_source.html#l00146">146</a>·of·file·<a·class="el"·href="../../dc/df1/a00662_source.html">RDFParameter.h</a>.</p>540 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de7/a01868_source.html#l00146">146</a>·of·file·<a·class="el"·href="../../dd/de7/a01868_source.html">RDFParameter.h</a>.</p>
  
541 </div>541 </div>
542 </div>542 </div>
543 <a·id="a9fda0da303708fe82ef366d3f54c39fb"·name="a9fda0da303708fe82ef366d3f54c39fb"></a>543 <a·id="a9fda0da303708fe82ef366d3f54c39fb"·name="a9fda0da303708fe82ef366d3f54c39fb"></a>
544 <h2·class="memtitle"><span·class="permalink"><a·href="#a9fda0da303708fe82ef366d3f54c39fb">&#9670;&nbsp;</a></span>rdf_list_</h2>544 <h2·class="memtitle"><span·class="permalink"><a·href="#a9fda0da303708fe82ef366d3f54c39fb">&#9670;&nbsp;</a></span>rdf_list_</h2>
  
545 <div·class="memitem">545 <div·class="memitem">
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558 ··</td>558 ··</td>
559 ··<td·class="mlabels-right">559 ··<td·class="mlabels-right">
560 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>560 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
561 ··</tr>561 ··</tr>
562 </table>562 </table>
563 </div><div·class="memdoc">563 </div><div·class="memdoc">
  
564 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df1/a00662_source.html#l00143">143</a>·of·file·<a·class="el"·href="../../dc/df1/a00662_source.html">RDFParameter.h</a>.</p>564 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de7/a01868_source.html#l00143">143</a>·of·file·<a·class="el"·href="../../dd/de7/a01868_source.html">RDFParameter.h</a>.</p>
  
565 </div>565 </div>
566 </div>566 </div>
567 </div><!--·contents·-->567 </div><!--·contents·-->
568 <!--·start·footer·part·-->568 <!--·start·footer·part·-->
569 <hr·class="footer"/><address·class="footer"><small>569 <hr·class="footer"/><address·class="footer"><small>
570 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4570 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d3/d14/a08175.html">List·of·all·members</a>··</div>70 <a·href="../../d3/d14/a08175.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Mesh·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Mesh·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d0/de2/a01442_source.html">BALL/VIEW/PRIMITIVES/mesh.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../de/d9d/a01382_source.html">BALL/VIEW/PRIMITIVES/mesh.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::Mesh:</div>76 Inheritance·diagram·for·BALL::VIEW::Mesh:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../de/d75/a08178.png"·usemap="#BALL::VIEW::Mesh_map"·alt=""/>79 ··<img·src="../../de/d75/a08178.png"·usemap="#BALL::VIEW::Mesh_map"·alt=""/>
80 ··<map·id="BALL::VIEW::Mesh_map"·name="BALL::VIEW::Mesh_map">80 ··<map·id="BALL::VIEW::Mesh_map"·name="BALL::VIEW::Mesh_map">
81 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,198,24"/>81 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,198,24"/>
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275 <tr·class="separator:ab0eb1042ec225a9d403977ba0704c306·inherit·pub_attribs_a07450"><td·class="memSeparator"·colspan="2">&#160;</td></tr>275 <tr·class="separator:ab0eb1042ec225a9d403977ba0704c306·inherit·pub_attribs_a07450"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
276 </table>276 </table>
277 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>277 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
278 <div·class="textblock"><p·><a·class="el"·href="../../de/d75/a08178.html">Mesh</a>·class.·<br··/>278 <div·class="textblock"><p·><a·class="el"·href="../../de/d75/a08178.html">Mesh</a>·class.·<br··/>
279 ·An·instance·of·<a·class="el"·href="../../de/d75/a08178.html">Mesh</a>·represents·an·instance·of·the·geometric·representation·"mesh".·</p><dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../de/d75/a08178.html">Mesh</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·Surface.·The·data·structures·defining·the·mesh·are·implemented·in·the·class·Surface.·Therefore·one·can·use·this·mesh·in·the·same·fashion·as·Surface.·</dd></dl>279 ·An·instance·of·<a·class="el"·href="../../de/d75/a08178.html">Mesh</a>·represents·an·instance·of·the·geometric·representation·"mesh".·</p><dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../de/d75/a08178.html">Mesh</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·Surface.·The·data·structures·defining·the·mesh·are·implemented·in·the·class·Surface.·Therefore·one·can·use·this·mesh·in·the·same·fashion·as·Surface.·</dd></dl>
280 <dl·class="section·user"><dt></dt><dd>The·colors·belonging·to·each·vertex.·If·this·list·has·<em>less</em>·entries·than·there·are·vertices·in·this·mesh,·we·take·the·first·element·to·color·the·whole·mesh.·If·it·is·<em>empty</em>,·we·use·the·color·white.·</dd></dl>280 <dl·class="section·user"><dt></dt><dd>The·colors·belonging·to·each·vertex.·If·this·list·has·<em>less</em>·entries·than·there·are·vertices·in·this·mesh,·we·take·the·first·element·to·color·the·whole·mesh.·If·it·is·<em>empty</em>,·we·use·the·color·white.·</dd></dl>
  
281 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/de2/a01442_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d0/de2/a01442_source.html">mesh.h</a>.</p>281 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d9d/a01382_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../de/d9d/a01382_source.html">mesh.h</a>.</p>
282 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>282 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
283 <a·id="ac2b2b2fcf9ff13af1b1c78520ababbae"·name="ac2b2b2fcf9ff13af1b1c78520ababbae"></a>283 <a·id="ac2b2b2fcf9ff13af1b1c78520ababbae"·name="ac2b2b2fcf9ff13af1b1c78520ababbae"></a>
284 <h2·class="memtitle"><span·class="permalink"><a·href="#ac2b2b2fcf9ff13af1b1c78520ababbae">&#9670;&nbsp;</a></span>Mesh()·<span·class="overload">[1/2]</span></h2>284 <h2·class="memtitle"><span·class="permalink"><a·href="#ac2b2b2fcf9ff13af1b1c78520ababbae">&#9670;&nbsp;</a></span>Mesh()·<span·class="overload">[1/2]</span></h2>
  
285 <div·class="memitem">285 <div·class="memitem">
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62 <div·id="nav-path"·class="navpath"> 
63 ··<ul> 
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_bdf615705158bdb9ef48f1578bccfd92.html">PYTHON</a></li>··</ul> 
65 </div> 
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68 ··<div·class="summary"> 
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71 ··<div·class="headertitle"><div·class="title">pyServer.h·File·Reference</div></div>64 ··<div·class="headertitle"><div·class="title">MMFF94.doc·File·Reference</div></div>
72 </div><!--header-->65 </div><!--header-->
73 <div·class="contents">66 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/> 
75 <code>#include·&lt;QtNetwork/QTcpServer&gt;</code><br·/> 
76 <code>#include·&lt;memory&gt;</code><br·/> 
77 </div> 
78 <p><a·href="../../de/d76/a00134_source.html">Go·to·the·source·code·of·this·file.</a></p> 
79 <table·class="memberdecls"> 
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
81 Classes</h2></td></tr> 
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd0/a05590.html">BALL::PyServer</a></td></tr> 
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
84 </table><table·class="memberdecls"> 
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
86 Namespaces</h2></td></tr> 
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
89 </table> 
90 </div><!--·contents·-->67 </div><!--·contents·-->
91 <!--·start·footer·part·-->68 <!--·start·footer·part·-->
92 <hr·class="footer"/><address·class="footer"><small>69 <hr·class="footer"/><address·class="footer"><small>
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96 </html>73 </html>
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8 <title>BALL:·vanDerWaalsSlick.h·File·Reference</title>8 <title>BALL:·lineSearch.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_46bde4670535f76c6409b9b449574944.html">MINIMIZATION</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">vanDerWaalsSlick.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">lineSearch.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/dc8/a00242_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/MOLMEC/AMBER/amberNonBonded.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d6/d8b/a00821_source.html">BALL/MOLMEC/PARAMETER/lennardJones.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d1/d93/a00875_source.html">BALL/MOLMEC/COMMON/atomVector.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../dc/d2c/a00893_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/> 
79 </div>75 </div>
80 <p><a·href="../../de/d79/a00203_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../de/d79/a00203_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls">77 <table·class="memberdecls">
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
83 Classes</h2></td></tr>79 Classes</h2></td></tr>
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d68/a06370.html">BALL::VanDerWaalsSlick</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d72/a05190.html">BALL::LineSearch</a></td></tr>
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d02/a06374.html">BALL::VanDerWaalsSlick::Option</a></td></tr> 
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dc8/a06378.html">BALL::VanDerWaalsSlick::Default</a></td></tr> 
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
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92 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
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94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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71 ··<div·class="headertitle"><div·class="title">BALL::HINFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::HINFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3e/a00116_source.html">BALL/FORMAT/HINFile.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d7/d98/a00983_source.html">BALL/FORMAT/HINFile.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::HINFile:</div>76 Inheritance·diagram·for·BALL::HINFile:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../de/d7e/a03914.png"·usemap="#BALL::HINFile_map"·alt=""/>79 ··<img·src="../../de/d7e/a03914.png"·usemap="#BALL::HINFile_map"·alt=""/>
80 ··<map·id="BALL::HINFile_map"·name="BALL::HINFile_map">80 ··<map·id="BALL::HINFile_map"·name="BALL::HINFile_map">
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399 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>399 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
400 </table>400 </table>
401 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>401 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
402 <div·class="textblock"><p·>HyperChem·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·HyperChem·HIN·files.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>402 <div·class="textblock"><p·>HyperChem·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·HyperChem·HIN·files.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
403 <p>Note:·HIN·defines·a·<a·class="el"·href="../../d9/d73/a04542.html">Molecule</a>·as·a·connected·component·in·the·molecule·graph·If·you·read·e.g.·a·protein·from·a·<a·class="el"·href="../../d1/db3/a04402.html">PDBFile</a>,·such·that·no·bonds·are·set·each·atom·will·be·placed·into·its·own·molecule.·To·prevent·this·from·happening·use·the·<a·class="el"·href="../../d7/d89/a06862.html">FragmentDB·to·build·missing·bonds.·</a></p>403 <p>Note:·HIN·defines·a·<a·class="el"·href="../../d9/d73/a04542.html">Molecule</a>·as·a·connected·component·in·the·molecule·graph·If·you·read·e.g.·a·protein·from·a·<a·class="el"·href="../../d1/db3/a04402.html">PDBFile</a>,·such·that·no·bonds·are·set·each·atom·will·be·placed·into·its·own·molecule.·To·prevent·this·from·happening·use·the·<a·class="el"·href="../../d7/d89/a06862.html">FragmentDB·to·build·missing·bonds.·</a></p>
  
404 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3e/a00116_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d4/d3e/a00116_source.html">HINFile.h</a>.</p>404 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d98/a00983_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d7/d98/a00983_source.html">HINFile.h</a>.</p>
405 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>405 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
406 <a·id="ac193e63ddad695f969a0ad5ee5f5d7a7"·name="ac193e63ddad695f969a0ad5ee5f5d7a7"></a>406 <a·id="ac193e63ddad695f969a0ad5ee5f5d7a7"·name="ac193e63ddad695f969a0ad5ee5f5d7a7"></a>
407 <h2·class="memtitle"><span·class="permalink"><a·href="#ac193e63ddad695f969a0ad5ee5f5d7a7">&#9670;&nbsp;</a></span>HINFile()·<span·class="overload">[1/2]</span></h2>407 <h2·class="memtitle"><span·class="permalink"><a·href="#ac193e63ddad695f969a0ad5ee5f5d7a7">&#9670;&nbsp;</a></span>HINFile()·<span·class="overload">[1/2]</span></h2>
  
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780 ··</td>780 ··</td>
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783 ··</tr>783 ··</tr>
784 </table>784 </table>
785 </div><div·class="memdoc">785 </div><div·class="memdoc">
  
786 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3e/a00116_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../d4/d3e/a00116_source.html">HINFile.h</a>.</p>786 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d98/a00983_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../d7/d98/a00983_source.html">HINFile.h</a>.</p>
  
787 </div>787 </div>
788 </div>788 </div>
789 <a·id="aea523169bfddf49dfd0a36fe67d8ca4f"·name="aea523169bfddf49dfd0a36fe67d8ca4f"></a>789 <a·id="aea523169bfddf49dfd0a36fe67d8ca4f"·name="aea523169bfddf49dfd0a36fe67d8ca4f"></a>
790 <h2·class="memtitle"><span·class="permalink"><a·href="#aea523169bfddf49dfd0a36fe67d8ca4f">&#9670;&nbsp;</a></span>temperature_</h2>790 <h2·class="memtitle"><span·class="permalink"><a·href="#aea523169bfddf49dfd0a36fe67d8ca4f">&#9670;&nbsp;</a></span>temperature_</h2>
  
791 <div·class="memitem">791 <div·class="memitem">
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804 ··</td>804 ··</td>
805 ··<td·class="mlabels-right">805 ··<td·class="mlabels-right">
806 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>806 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
807 ··</tr>807 ··</tr>
808 </table>808 </table>
809 </div><div·class="memdoc">809 </div><div·class="memdoc">
  
810 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3e/a00116_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../d4/d3e/a00116_source.html">HINFile.h</a>.</p>810 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d98/a00983_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../d7/d98/a00983_source.html">HINFile.h</a>.</p>
  
811 </div>811 </div>
812 </div>812 </div>
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816 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4816 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-types">Public·Types</a>·&#124;70 <a·href="#pub-types">Public·Types</a>·&#124;
71 <a·href="../../d1/da9/a04807.html">List·of·all·members</a>··</div>71 <a·href="../../d1/da9/a04807.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::DoubleTraits·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::DoubleTraits·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d12/a01799_source.html">BALL/MATHS/fftwCommon.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d5e/a00275_source.html">BALL/MATHS/fftwCommon.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
78 Public·Types</h2></td></tr>78 Public·Types</h2></td></tr>
79 <tr·class="memitem:a4630d2ee2779ccdc3ff0b37f9030e8c0"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d85/a04810.html#a4630d2ee2779ccdc3ff0b37f9030e8c0">ComplexPrecision</a></td></tr>79 <tr·class="memitem:a4630d2ee2779ccdc3ff0b37f9030e8c0"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d85/a04810.html#a4630d2ee2779ccdc3ff0b37f9030e8c0">ComplexPrecision</a></td></tr>
80 <tr·class="separator:a4630d2ee2779ccdc3ff0b37f9030e8c0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a4630d2ee2779ccdc3ff0b37f9030e8c0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a092a7f8545ecb0c3ec5b02007ae1aff7"><td·class="memItemLeft"·align="right"·valign="top">typedef·fftw_plan&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d85/a04810.html#a092a7f8545ecb0c3ec5b02007ae1aff7">FftwPlan</a></td></tr>81 <tr·class="memitem:a092a7f8545ecb0c3ec5b02007ae1aff7"><td·class="memItemLeft"·align="right"·valign="top">typedef·fftw_plan&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d85/a04810.html#a092a7f8545ecb0c3ec5b02007ae1aff7">FftwPlan</a></td></tr>
82 <tr·class="separator:a092a7f8545ecb0c3ec5b02007ae1aff7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a092a7f8545ecb0c3ec5b02007ae1aff7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock">85 <div·class="textblock">
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a01799_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d5/d12/a01799_source.html">fftwCommon.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d5e/a00275_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d3/d5e/a00275_source.html">fftwCommon.h</a>.</p>
87 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>87 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
88 <a·id="a4630d2ee2779ccdc3ff0b37f9030e8c0"·name="a4630d2ee2779ccdc3ff0b37f9030e8c0"></a>88 <a·id="a4630d2ee2779ccdc3ff0b37f9030e8c0"·name="a4630d2ee2779ccdc3ff0b37f9030e8c0"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#a4630d2ee2779ccdc3ff0b37f9030e8c0">&#9670;&nbsp;</a></span>ComplexPrecision</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#a4630d2ee2779ccdc3ff0b37f9030e8c0">&#9670;&nbsp;</a></span>ComplexPrecision</h2>
  
90 <div·class="memitem">90 <div·class="memitem">
91 <div·class="memproto">91 <div·class="memproto">
92 ······<table·class="memname">92 ······<table·class="memname">
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95 ········</tr>95 ········</tr>
96 ······</table>96 ······</table>
97 </div><div·class="memdoc">97 </div><div·class="memdoc">
  
98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a01799_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../d5/d12/a01799_source.html">fftwCommon.h</a>.</p>98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d5e/a00275_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../d3/d5e/a00275_source.html">fftwCommon.h</a>.</p>
  
99 </div>99 </div>
100 </div>100 </div>
101 <a·id="a092a7f8545ecb0c3ec5b02007ae1aff7"·name="a092a7f8545ecb0c3ec5b02007ae1aff7"></a>101 <a·id="a092a7f8545ecb0c3ec5b02007ae1aff7"·name="a092a7f8545ecb0c3ec5b02007ae1aff7"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#a092a7f8545ecb0c3ec5b02007ae1aff7">&#9670;&nbsp;</a></span>FftwPlan</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#a092a7f8545ecb0c3ec5b02007ae1aff7">&#9670;&nbsp;</a></span>FftwPlan</h2>
  
103 <div·class="memitem">103 <div·class="memitem">
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110 ······<table·class="memname">110 ······<table·class="memname">
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116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a01799_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d5/d12/a01799_source.html">fftwCommon.h</a>.</p>116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d5e/a00275_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d3/d5e/a00275_source.html">fftwCommon.h</a>.</p>
  
117 </div>117 </div>
118 </div>118 </div>
119 </div><!--·contents·-->119 </div><!--·contents·-->
120 <!--·start·footer·part·-->120 <!--·start·footer·part·-->
121 <hr·class="footer"/><address·class="footer"><small>121 <hr·class="footer"/><address·class="footer"><small>
122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 ··<div·class="headertitle"><div·class="title">BALL::SDGenerator::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SDGenerator::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../de/d85/a07146.html"·title="Option·names.">Option</a>·names.··75 <p><a·class="el"·href="../../de/d85/a07146.html"·title="Option·names.">Option</a>·names.··
76 ·<a·href="../../de/d85/a07146.html#details">More...</a></p>76 ·<a·href="../../de/d85/a07146.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/STRUCTURE/sdGenerator.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d5/da8/a01865_source.html">BALL/STRUCTURE/sdGenerator.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
80 Static·Public·Attributes</h2></td></tr>80 Static·Public·Attributes</h2></td></tr>
81 <tr·class="memitem:abbd498930d524c56a0a7b0843ec9204e"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d85/a07146.html#abbd498930d524c56a0a7b0843ec9204e">SHOW_HYDROGENS</a></td></tr>81 <tr·class="memitem:abbd498930d524c56a0a7b0843ec9204e"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d85/a07146.html#abbd498930d524c56a0a7b0843ec9204e">SHOW_HYDROGENS</a></td></tr>
82 <tr·class="separator:abbd498930d524c56a0a7b0843ec9204e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:abbd498930d524c56a0a7b0843ec9204e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a3aae100e603b4d4afad724effb5838ca"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d85/a07146.html#a3aae100e603b4d4afad724effb5838ca">STANDARD_BOND_LENGTH</a></td></tr>83 <tr·class="memitem:a3aae100e603b4d4afad724effb5838ca"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d85/a07146.html#a3aae100e603b4d4afad724effb5838ca">STANDARD_BOND_LENGTH</a></td></tr>
84 <tr·class="separator:a3aae100e603b4d4afad724effb5838ca"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a3aae100e603b4d4afad724effb5838ca"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock"><p·><a·class="el"·href="../../de/d85/a07146.html"·title="Option·names.">Option</a>·names.·</p>87 <div·class="textblock"><p·><a·class="el"·href="../../de/d85/a07146.html"·title="Option·names.">Option</a>·names.·</p>
  
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">sdGenerator.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">sdGenerator.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="abbd498930d524c56a0a7b0843ec9204e"·name="abbd498930d524c56a0a7b0843ec9204e"></a>90 <a·id="abbd498930d524c56a0a7b0843ec9204e"·name="abbd498930d524c56a0a7b0843ec9204e"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#abbd498930d524c56a0a7b0843ec9204e">&#9670;&nbsp;</a></span>SHOW_HYDROGENS</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#abbd498930d524c56a0a7b0843ec9204e">&#9670;&nbsp;</a></span>SHOW_HYDROGENS</h2>
  
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93 <div·class="memproto">93 <div·class="memproto">
94 <table·class="mlabels">94 <table·class="mlabels">
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107 ··<td·class="mlabels-right">107 ··<td·class="mlabels-right">
108 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>108 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
109 ··</tr>109 ··</tr>
110 </table>110 </table>
111 </div><div·class="memdoc">111 </div><div·class="memdoc">
112 <p·>show·hydrogen·atoms.·</p>112 <p·>show·hydrogen·atoms.·</p>
  
113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">sdGenerator.h</a>.</p>113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">sdGenerator.h</a>.</p>
  
114 </div>114 </div>
115 </div>115 </div>
116 <a·id="a3aae100e603b4d4afad724effb5838ca"·name="a3aae100e603b4d4afad724effb5838ca"></a>116 <a·id="a3aae100e603b4d4afad724effb5838ca"·name="a3aae100e603b4d4afad724effb5838ca"></a>
117 <h2·class="memtitle"><span·class="permalink"><a·href="#a3aae100e603b4d4afad724effb5838ca">&#9670;&nbsp;</a></span>STANDARD_BOND_LENGTH</h2>117 <h2·class="memtitle"><span·class="permalink"><a·href="#a3aae100e603b4d4afad724effb5838ca">&#9670;&nbsp;</a></span>STANDARD_BOND_LENGTH</h2>
  
118 <div·class="memitem">118 <div·class="memitem">
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132 ··<td·class="mlabels-right">132 ··<td·class="mlabels-right">
133 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>133 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
134 ··</tr>134 ··</tr>
135 </table>135 </table>
136 </div><div·class="memdoc">136 </div><div·class="memdoc">
137 <p·>the·standard·bond·length·for·structure·diagrams·</p>137 <p·>the·standard·bond·length·for·structure·diagrams·</p>
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">sdGenerator.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">sdGenerator.h</a>.</p>
  
139 </div>139 </div>
140 </div>140 </div>
141 </div><!--·contents·-->141 </div><!--·contents·-->
142 <!--·start·footer·part·-->142 <!--·start·footer·part·-->
143 <hr·class="footer"/><address·class="footer"><small>143 <hr·class="footer"/><address·class="footer"><small>
144 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4144 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../dd/d81/a07547.html">List·of·all·members</a>··</div>70 <a·href="../../dd/d81/a07547.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ClippingDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ClippingDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../db/dec/a01337_source.html">BALL/VIEW/DIALOGS/clippingDialog.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/VIEW/DIALOGS/clippingDialog.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::ClippingDialog:</div>76 Inheritance·diagram·for·BALL::VIEW::ClippingDialog:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../de/d8a/a07550.png"·usemap="#BALL::VIEW::ClippingDialog_map"·alt=""/>79 ··<img·src="../../de/d8a/a07550.png"·usemap="#BALL::VIEW::ClippingDialog_map"·alt=""/>
80 ··<map·id="BALL::VIEW::ClippingDialog_map"·name="BALL::VIEW::ClippingDialog_map">80 ··<map·id="BALL::VIEW::ClippingDialog_map"·name="BALL::VIEW::ClippingDialog_map">
81 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,168,24"/>81 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,168,24"/>
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109 <tr><td·colspan="2"><div·class="groupHeader">Protected·slots</div></td></tr>109 <tr><td·colspan="2"><div·class="groupHeader">Protected·slots</div></td></tr>
110 <tr·class="memitem:abce4ae3c7b553d532099eb539063a41c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/dbc/a07786.html">ClippingPlane</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8a/a07550.html#abce4ae3c7b553d532099eb539063a41c">clipping_plane_</a></td></tr>110 <tr·class="memitem:abce4ae3c7b553d532099eb539063a41c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/dbc/a07786.html">ClippingPlane</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8a/a07550.html#abce4ae3c7b553d532099eb539063a41c">clipping_plane_</a></td></tr>
111 <tr·class="separator:abce4ae3c7b553d532099eb539063a41c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>111 <tr·class="separator:abce4ae3c7b553d532099eb539063a41c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
112 </table>112 </table>
113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
114 <div·class="textblock"><p·>Dialog·for·selcting·which·Representations·are·clipped·by·one·clipping·plane.·</p>114 <div·class="textblock"><p·>Dialog·for·selcting·which·Representations·are·clipped·by·one·clipping·plane.·</p>
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dec/a01337_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../db/dec/a01337_source.html">clippingDialog.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">clippingDialog.h</a>.</p>
116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
117 <a·id="afed2389df7c24bdc21fe68ed93ad6bc9"·name="afed2389df7c24bdc21fe68ed93ad6bc9"></a>117 <a·id="afed2389df7c24bdc21fe68ed93ad6bc9"·name="afed2389df7c24bdc21fe68ed93ad6bc9"></a>
118 <h2·class="memtitle"><span·class="permalink"><a·href="#afed2389df7c24bdc21fe68ed93ad6bc9">&#9670;&nbsp;</a></span>ClippingDialog()</h2>118 <h2·class="memtitle"><span·class="permalink"><a·href="#afed2389df7c24bdc21fe68ed93ad6bc9">&#9670;&nbsp;</a></span>ClippingDialog()</h2>
  
119 <div·class="memitem">119 <div·class="memitem">
120 <div·class="memproto">120 <div·class="memproto">
121 ······<table·class="memname">121 ······<table·class="memname">
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241 ··</td>241 ··</td>
242 ··<td·class="mlabels-right">242 ··<td·class="mlabels-right">
243 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>243 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
244 ··</tr>244 ··</tr>
245 </table>245 </table>
246 </div><div·class="memdoc">246 </div><div·class="memdoc">
  
247 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dec/a01337_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../db/dec/a01337_source.html">clippingDialog.h</a>.</p>247 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">clippingDialog.h</a>.</p>
  
248 </div>248 </div>
249 </div>249 </div>
250 <a·id="a0bbf079744135912a495e49d326e276d"·name="a0bbf079744135912a495e49d326e276d"></a>250 <a·id="a0bbf079744135912a495e49d326e276d"·name="a0bbf079744135912a495e49d326e276d"></a>
251 <h2·class="memtitle"><span·class="permalink"><a·href="#a0bbf079744135912a495e49d326e276d">&#9670;&nbsp;</a></span>setClippingPlane()</h2>251 <h2·class="memtitle"><span·class="permalink"><a·href="#a0bbf079744135912a495e49d326e276d">&#9670;&nbsp;</a></span>setClippingPlane()</h2>
  
252 <div·class="memitem">252 <div·class="memitem">
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269 ··</td>269 ··</td>
270 ··<td·class="mlabels-right">270 ··<td·class="mlabels-right">
271 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>271 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
272 ··</tr>272 ··</tr>
273 </table>273 </table>
274 </div><div·class="memdoc">274 </div><div·class="memdoc">
  
275 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dec/a01337_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../db/dec/a01337_source.html">clippingDialog.h</a>.</p>275 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">clippingDialog.h</a>.</p>
  
276 </div>276 </div>
277 </div>277 </div>
278 <h2·class="groupheader">Member·Data·Documentation</h2>278 <h2·class="groupheader">Member·Data·Documentation</h2>
279 <a·id="abce4ae3c7b553d532099eb539063a41c"·name="abce4ae3c7b553d532099eb539063a41c"></a>279 <a·id="abce4ae3c7b553d532099eb539063a41c"·name="abce4ae3c7b553d532099eb539063a41c"></a>
280 <h2·class="memtitle"><span·class="permalink"><a·href="#abce4ae3c7b553d532099eb539063a41c">&#9670;&nbsp;</a></span>clipping_plane_</h2>280 <h2·class="memtitle"><span·class="permalink"><a·href="#abce4ae3c7b553d532099eb539063a41c">&#9670;&nbsp;</a></span>clipping_plane_</h2>
  
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294 ··</td>294 ··</td>
295 ··<td·class="mlabels-right">295 ··<td·class="mlabels-right">
296 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>296 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
297 ··</tr>297 ··</tr>
298 </table>298 </table>
299 </div><div·class="memdoc">299 </div><div·class="memdoc">
  
300 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dec/a01337_source.html#l00080">80</a>·of·file·<a·class="el"·href="../../db/dec/a01337_source.html">clippingDialog.h</a>.</p>300 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00080">80</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">clippingDialog.h</a>.</p>
  
301 </div>301 </div>
302 </div>302 </div>
303 </div><!--·contents·-->303 </div><!--·contents·-->
304 <!--·start·footer·part·-->304 <!--·start·footer·part·-->
305 <hr·class="footer"/><address·class="footer"><small>305 <hr·class="footer"/><address·class="footer"><small>
306 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4306 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../d8/d73/a08235.html">List·of·all·members</a>··</div>72 <a·href="../../d8/d73/a08235.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLOffscreenTarget·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLOffscreenTarget·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d5/d3e/a01139_source.html">BALL/VIEW/RENDERING/glOffscreenTarget.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dc/d85/a01436_source.html">BALL/VIEW/RENDERING/glOffscreenTarget.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::GLOffscreenTarget:</div>78 Inheritance·diagram·for·BALL::VIEW::GLOffscreenTarget:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../de/d8b/a08238.png"·usemap="#BALL::VIEW::GLOffscreenTarget_map"·alt=""/>81 ··<img·src="../../de/d8b/a08238.png"·usemap="#BALL::VIEW::GLOffscreenTarget_map"·alt=""/>
82 ··<map·id="BALL::VIEW::GLOffscreenTarget_map"·name="BALL::VIEW::GLOffscreenTarget_map">82 ··<map·id="BALL::VIEW::GLOffscreenTarget_map"·name="BALL::VIEW::GLOffscreenTarget_map">
83 <area·href="../../d2/d37/a08354.html"·alt="BALL::VIEW::TRenderWindow&lt;·taPixelDatatype·&gt;"·shape="rect"·coords="0,56,377,80"/>83 <area·href="../../d2/d37/a08354.html"·alt="BALL::VIEW::TRenderWindow&lt;·taPixelDatatype·&gt;"·shape="rect"·coords="0,56,377,80"/>
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184 <tr·class="memitem:ad44728efb3b78dd25c49ef472de991f1·inherit·pro_attribs_a08354"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d37/a08354.html#ad44728efb3b78dd25c49ef472de991f1">do_not_resize_</a></td></tr>184 <tr·class="memitem:ad44728efb3b78dd25c49ef472de991f1·inherit·pro_attribs_a08354"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d37/a08354.html#ad44728efb3b78dd25c49ef472de991f1">do_not_resize_</a></td></tr>
185 <tr·class="separator:ad44728efb3b78dd25c49ef472de991f1·inherit·pro_attribs_a08354"><td·class="memSeparator"·colspan="2">&#160;</td></tr>185 <tr·class="separator:ad44728efb3b78dd25c49ef472de991f1·inherit·pro_attribs_a08354"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
186 </table>186 </table>
187 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>187 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
188 <div·class="textblock"><p·>Model·of·the·<a·class="el"·href="../../d4/dc0/a02225.html#ab88cb63c4928309f5d663a4f279d435f">RenderWindow</a>·which·uses·OpenGL·to·render·its·buffer·into·a·file.</p>188 <div·class="textblock"><p·>Model·of·the·<a·class="el"·href="../../d4/dc0/a02225.html#ab88cb63c4928309f5d663a4f279d435f">RenderWindow</a>·which·uses·OpenGL·to·render·its·buffer·into·a·file.</p>
189 <p·>The·class·will·try·to·use·a·pixel·buffer·target·if·this·is·available.·If·the·OpenGL·driver·has·no·support·for·PixelBufferObjects,·we·try·to·render·into·a·window·on·screen·instead.·</p>189 <p·>The·class·will·try·to·use·a·pixel·buffer·target·if·this·is·available.·If·the·OpenGL·driver·has·no·support·for·PixelBufferObjects,·we·try·to·render·into·a·window·on·screen·instead.·</p>
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d3e/a01139_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d5/d3e/a01139_source.html">glOffscreenTarget.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d85/a01436_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../dc/d85/a01436_source.html">glOffscreenTarget.h</a>.</p>
191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
192 <a·id="adec86d0195ad1c7850bd0e724747018a"·name="adec86d0195ad1c7850bd0e724747018a"></a>192 <a·id="adec86d0195ad1c7850bd0e724747018a"·name="adec86d0195ad1c7850bd0e724747018a"></a>
193 <h2·class="memtitle"><span·class="permalink"><a·href="#adec86d0195ad1c7850bd0e724747018a">&#9670;&nbsp;</a></span>GLOffscreenTarget()</h2>193 <h2·class="memtitle"><span·class="permalink"><a·href="#adec86d0195ad1c7850bd0e724747018a">&#9670;&nbsp;</a></span>GLOffscreenTarget()</h2>
  
194 <div·class="memitem">194 <div·class="memitem">
195 <div·class="memproto">195 <div·class="memproto">
196 ······<table·class="memname">196 ······<table·class="memname">
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493 ··</td>493 ··</td>
494 ··<td·class="mlabels-right">494 ··<td·class="mlabels-right">
495 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>495 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
496 ··</tr>496 ··</tr>
497 </table>497 </table>
498 </div><div·class="memdoc">498 </div><div·class="memdoc">
  
499 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d3e/a01139_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../d5/d3e/a01139_source.html">glOffscreenTarget.h</a>.</p>499 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d85/a01436_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../dc/d85/a01436_source.html">glOffscreenTarget.h</a>.</p>
  
500 </div>500 </div>
501 </div>501 </div>
502 <a·id="a3c620827cd46f68e058718aa92af5fde"·name="a3c620827cd46f68e058718aa92af5fde"></a>502 <a·id="a3c620827cd46f68e058718aa92af5fde"·name="a3c620827cd46f68e058718aa92af5fde"></a>
503 <h2·class="memtitle"><span·class="permalink"><a·href="#a3c620827cd46f68e058718aa92af5fde">&#9670;&nbsp;</a></span>filename_</h2>503 <h2·class="memtitle"><span·class="permalink"><a·href="#a3c620827cd46f68e058718aa92af5fde">&#9670;&nbsp;</a></span>filename_</h2>
  
504 <div·class="memitem">504 <div·class="memitem">
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517 ··</td>517 ··</td>
518 ··<td·class="mlabels-right">518 ··<td·class="mlabels-right">
519 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>519 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
520 ··</tr>520 ··</tr>
521 </table>521 </table>
522 </div><div·class="memdoc">522 </div><div·class="memdoc">
  
523 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d3e/a01139_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../d5/d3e/a01139_source.html">glOffscreenTarget.h</a>.</p>523 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d85/a01436_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../dc/d85/a01436_source.html">glOffscreenTarget.h</a>.</p>
  
524 </div>524 </div>
525 </div>525 </div>
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528 <div·class="memitem">528 <div·class="memitem">
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541 ··</td>541 ··</td>
542 ··<td·class="mlabels-right">542 ··<td·class="mlabels-right">
543 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>543 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
544 ··</tr>544 ··</tr>
545 </table>545 </table>
546 </div><div·class="memdoc">546 </div><div·class="memdoc">
  
547 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d3e/a01139_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d5/d3e/a01139_source.html">glOffscreenTarget.h</a>.</p>547 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d85/a01436_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../dc/d85/a01436_source.html">glOffscreenTarget.h</a>.</p>
  
548 </div>548 </div>
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550 <a·id="ab47ad0d0d71295380eb092e5bb8c485d"·name="ab47ad0d0d71295380eb092e5bb8c485d"></a>550 <a·id="ab47ad0d0d71295380eb092e5bb8c485d"·name="ab47ad0d0d71295380eb092e5bb8c485d"></a>
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565 ··</td>565 ··</td>
566 ··<td·class="mlabels-right">566 ··<td·class="mlabels-right">
567 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>567 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
568 ··</tr>568 ··</tr>
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570 </div><div·class="memdoc">570 </div><div·class="memdoc">
  
571 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d3e/a01139_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d5/d3e/a01139_source.html">glOffscreenTarget.h</a>.</p>571 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d85/a01436_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../dc/d85/a01436_source.html">glOffscreenTarget.h</a>.</p>
  
572 </div>572 </div>
573 </div>573 </div>
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576 <div·class="memitem">576 <div·class="memitem">
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589 ··</td>589 ··</td>
590 ··<td·class="mlabels-right">590 ··<td·class="mlabels-right">
591 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>591 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
592 ··</tr>592 ··</tr>
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601 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4601 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;71 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
72 <a·href="../../d6/d21/a08335.html">List·of·all·members</a>··</div>72 <a·href="../../d6/d21/a08335.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Resolution·Struct·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Resolution·Struct·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d9/d65/a01145_source.html">BALL/VIEW/RENDERING/renderTarget.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d8/dd0/a01430_source.html">BALL/VIEW/RENDERING/renderTarget.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a091c891abdcbaf8bdba44321be245831"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8f/a08338.html#a091c891abdcbaf8bdba44321be245831">Resolution</a>·()</td></tr>80 <tr·class="memitem:a091c891abdcbaf8bdba44321be245831"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8f/a08338.html#a091c891abdcbaf8bdba44321be245831">Resolution</a>·()</td></tr>
81 <tr·class="separator:a091c891abdcbaf8bdba44321be245831"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a091c891abdcbaf8bdba44321be245831"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:a3c36e351b0bef458a4516fbd1b40f5f8"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8f/a08338.html#a3c36e351b0bef458a4516fbd1b40f5f8">Resolution</a>·(<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·<a·class="el"·href="../../de/d8f/a08338.html#a94a19d209928d9184c23243d98c8fed0">width</a>,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·<a·class="el"·href="../../de/d8f/a08338.html#aaefd3ce04c49e68aee02af388bafa229">height</a>)</td></tr>82 <tr·class="memitem:a3c36e351b0bef458a4516fbd1b40f5f8"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8f/a08338.html#a3c36e351b0bef458a4516fbd1b40f5f8">Resolution</a>·(<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·<a·class="el"·href="../../de/d8f/a08338.html#a94a19d209928d9184c23243d98c8fed0">width</a>,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·<a·class="el"·href="../../de/d8f/a08338.html#aaefd3ce04c49e68aee02af388bafa229">height</a>)</td></tr>
83 <tr·class="separator:a3c36e351b0bef458a4516fbd1b40f5f8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:a3c36e351b0bef458a4516fbd1b40f5f8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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90 <tr·class="memitem:aaefd3ce04c49e68aee02af388bafa229"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8f/a08338.html#aaefd3ce04c49e68aee02af388bafa229">height</a></td></tr>90 <tr·class="memitem:aaefd3ce04c49e68aee02af388bafa229"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8f/a08338.html#aaefd3ce04c49e68aee02af388bafa229">height</a></td></tr>
91 <tr·class="separator:aaefd3ce04c49e68aee02af388bafa229"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:aaefd3ce04c49e68aee02af388bafa229"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock"><p·>Stores·a·resolution·consisting·of·width·and·height.·</p>94 <div·class="textblock"><p·>Stores·a·resolution·consisting·of·width·and·height.·</p>
  
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d65/a01145_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d9/d65/a01145_source.html">renderTarget.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dd0/a01430_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d8/dd0/a01430_source.html">renderTarget.h</a>.</p>
96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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98 <h2·class="memtitle"><span·class="permalink"><a·href="#a091c891abdcbaf8bdba44321be245831">&#9670;&nbsp;</a></span>Resolution()·<span·class="overload">[1/2]</span></h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a091c891abdcbaf8bdba44321be245831">&#9670;&nbsp;</a></span>Resolution()·<span·class="overload">[1/2]</span></h2>
  
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114 ··</td>114 ··</td>
115 ··<td·class="mlabels-right">115 ··<td·class="mlabels-right">
116 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>116 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
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121 </div>121 </div>
122 </div>122 </div>
123 <a·id="a3c36e351b0bef458a4516fbd1b40f5f8"·name="a3c36e351b0bef458a4516fbd1b40f5f8"></a>123 <a·id="a3c36e351b0bef458a4516fbd1b40f5f8"·name="a3c36e351b0bef458a4516fbd1b40f5f8"></a>
124 <h2·class="memtitle"><span·class="permalink"><a·href="#a3c36e351b0bef458a4516fbd1b40f5f8">&#9670;&nbsp;</a></span>Resolution()·<span·class="overload">[2/2]</span></h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#a3c36e351b0bef458a4516fbd1b40f5f8">&#9670;&nbsp;</a></span>Resolution()·<span·class="overload">[2/2]</span></h2>
  
125 <div·class="memitem">125 <div·class="memitem">
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152 ··</td>152 ··</td>
153 ··<td·class="mlabels-right">153 ··<td·class="mlabels-right">
154 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>154 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
155 ··</tr>155 ··</tr>
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158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d65/a01145_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d9/d65/a01145_source.html">renderTarget.h</a>.</p>158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dd0/a01430_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d8/dd0/a01430_source.html">renderTarget.h</a>.</p>
  
159 </div>159 </div>
160 </div>160 </div>
161 <h2·class="groupheader">Member·Data·Documentation</h2>161 <h2·class="groupheader">Member·Data·Documentation</h2>
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163 <h2·class="memtitle"><span·class="permalink"><a·href="#aaefd3ce04c49e68aee02af388bafa229">&#9670;&nbsp;</a></span>height</h2>163 <h2·class="memtitle"><span·class="permalink"><a·href="#aaefd3ce04c49e68aee02af388bafa229">&#9670;&nbsp;</a></span>height</h2>
  
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171 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·BALL::VIEW::Resolution::height</td>171 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·BALL::VIEW::Resolution::height</td>
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176 </div>176 </div>
177 </div>177 </div>
178 <a·id="a94a19d209928d9184c23243d98c8fed0"·name="a94a19d209928d9184c23243d98c8fed0"></a>178 <a·id="a94a19d209928d9184c23243d98c8fed0"·name="a94a19d209928d9184c23243d98c8fed0"></a>
179 <h2·class="memtitle"><span·class="permalink"><a·href="#a94a19d209928d9184c23243d98c8fed0">&#9670;&nbsp;</a></span>width</h2>179 <h2·class="memtitle"><span·class="permalink"><a·href="#a94a19d209928d9184c23243d98c8fed0">&#9670;&nbsp;</a></span>width</h2>
  
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187 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·BALL::VIEW::Resolution::width</td>187 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·BALL::VIEW::Resolution::width</td>
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191 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d65/a01145_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d9/d65/a01145_source.html">renderTarget.h</a>.</p>191 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dd0/a01430_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d8/dd0/a01430_source.html">renderTarget.h</a>.</p>
  
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71 ··<div·class="headertitle"><div·class="title">pubchemDialog.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">motionTrackingEvent.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;QtCore/QEvent&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../da/d4e/a01106_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d5/df4/a01322_source.html">BALL/VIEW/INPUT/deviceEvent.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d8/db9/a00725_source.html">BALL/STRUCTURE/smilesParser.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d3/de5/a00209_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/>
77 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/> 
78 <code>#include·&lt;map&gt;</code><br·/> 
79 <code>#include·&lt;boost/unordered_map.hpp&gt;</code><br·/> 
80 </div>78 </div>
81 <p><a·href="../../de/d90/a01313_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../de/d90/a01313_source.html">Go·to·the·source·code·of·this·file.</a></p>
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70 <a·href="#pub-types">Public·Types</a>·&#124;70 <a·href="#pub-types">Public·Types</a>·&#124;
71 <a·href="../../d5/d7a/a03327.html">List·of·all·members</a>··</div>71 <a·href="../../d5/d7a/a03327.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Processor·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Processor·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
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80 ,·<a·class="el"·href="../../de/d93/a03330.html#a10dcd84f0f80bc95719620cbf2266e37a719d298a893d4e375b4c495b2e90516f">BREAK</a>·=·180 ,·<a·class="el"·href="../../de/d93/a03330.html#a10dcd84f0f80bc95719620cbf2266e37a719d298a893d4e375b4c495b2e90516f">BREAK</a>·=·1
81 ,·<a·class="el"·href="../../de/d93/a03330.html#a10dcd84f0f80bc95719620cbf2266e37ae3f38a081c3ab196b7189484fee8c162">CONTINUE</a>·=·281 ,·<a·class="el"·href="../../de/d93/a03330.html#a10dcd84f0f80bc95719620cbf2266e37ae3f38a081c3ab196b7189484fee8c162">CONTINUE</a>·=·2
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84 <tr·class="memitem:afc8b424f41762b055b9b22f7e9c22e8a"><td·class="memItemLeft"·align="right"·valign="top">typedef·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d93/a03330.html#afc8b424f41762b055b9b22f7e9c22e8a">Result</a></td></tr>84 <tr·class="memitem:afc8b424f41762b055b9b22f7e9c22e8a"><td·class="memItemLeft"·align="right"·valign="top">typedef·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d93/a03330.html#afc8b424f41762b055b9b22f7e9c22e8a">Result</a></td></tr>
85 <tr·class="separator:afc8b424f41762b055b9b22f7e9c22e8a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>85 <tr·class="separator:afc8b424f41762b055b9b22f7e9c22e8a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
86 </table>86 </table>
87 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>87 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
88 <div·class="textblock"><p·>Global·Types·and·Enums·for·Processors·</p>88 <div·class="textblock"><p·>Global·Types·and·Enums·for·Processors·</p>
  
89 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">processor.h</a>.</p>89 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
90 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>90 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
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92 <h2·class="memtitle"><span·class="permalink"><a·href="#afc8b424f41762b055b9b22f7e9c22e8a">&#9670;&nbsp;</a></span>Result</h2>92 <h2·class="memtitle"><span·class="permalink"><a·href="#afc8b424f41762b055b9b22f7e9c22e8a">&#9670;&nbsp;</a></span>Result</h2>
  
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98 ········</tr>98 ········</tr>
99 ······</table>99 ······</table>
100 </div><div·class="memdoc">100 </div><div·class="memdoc">
101 <p·><a·class="el"·href="../../d5/d46/a03710.html">Result</a>·type·</p>101 <p·><a·class="el"·href="../../d5/d46/a03710.html">Result</a>·type·</p>
  
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">processor.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
  
103 </div>103 </div>
104 </div>104 </div>
105 <h2·class="groupheader">Member·Enumeration·Documentation</h2>105 <h2·class="groupheader">Member·Enumeration·Documentation</h2>
106 <a·id="a10dcd84f0f80bc95719620cbf2266e37"·name="a10dcd84f0f80bc95719620cbf2266e37"></a>106 <a·id="a10dcd84f0f80bc95719620cbf2266e37"·name="a10dcd84f0f80bc95719620cbf2266e37"></a>
107 <h2·class="memtitle"><span·class="permalink"><a·href="#a10dcd84f0f80bc95719620cbf2266e37">&#9670;&nbsp;</a></span>anonymous·enum</h2>107 <h2·class="memtitle"><span·class="permalink"><a·href="#a10dcd84f0f80bc95719620cbf2266e37">&#9670;&nbsp;</a></span>anonymous·enum</h2>
  
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125 </td></tr>125 </td></tr>
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127 </td></tr>127 </td></tr>
128 <tr><td·class="fieldname"><a·id="a10dcd84f0f80bc95719620cbf2266e37ae3f38a081c3ab196b7189484fee8c162"·name="a10dcd84f0f80bc95719620cbf2266e37ae3f38a081c3ab196b7189484fee8c162"></a>CONTINUE&#160;</td><td·class="fielddoc"><p·>Continue·</p>128 <tr><td·class="fieldname"><a·id="a10dcd84f0f80bc95719620cbf2266e37ae3f38a081c3ab196b7189484fee8c162"·name="a10dcd84f0f80bc95719620cbf2266e37ae3f38a081c3ab196b7189484fee8c162"></a>CONTINUE&#160;</td><td·class="fielddoc"><p·>Continue·</p>
129 </td></tr>129 </td></tr>
130 </table>130 </table>
  
131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">processor.h</a>.</p>131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
  
132 </div>132 </div>
133 </div>133 </div>
134 </div><!--·contents·-->134 </div><!--·contents·-->
135 <!--·start·footer·part·-->135 <!--·start·footer·part·-->
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137 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4137 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 <a·href="../../db/d98/a07371.html">List·of·all·members</a>··</div>71 <a·href="../../db/d98/a07371.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::TMutexLocker&lt;·MutexLockerType,·MutexType·&gt;·Class·Template·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TMutexLocker&lt;·MutexLockerType,·MutexType·&gt;·Class·Template·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../de/db5/a01730_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::TMutexLocker&lt;·MutexLockerType,·MutexType·&gt;:</div>77 Inheritance·diagram·for·BALL::TMutexLocker&lt;·MutexLockerType,·MutexType·&gt;:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../de/d93/a07374.png"·usemap="#BALL::TMutexLocker_3C_20MutexLockerType_2C_20MutexType_20_3E_map"·alt=""/>80 ··<img·src="../../de/d93/a07374.png"·usemap="#BALL::TMutexLocker_3C_20MutexLockerType_2C_20MutexType_20_3E_map"·alt=""/>
81 ··<map·id="BALL::TMutexLocker_3C_20MutexLockerType_2C_20MutexType_20_3E_map"·name="BALL::TMutexLocker_3C_20MutexLockerType_2C_20MutexType_20_3E_map">81 ··<map·id="BALL::TMutexLocker_3C_20MutexLockerType_2C_20MutexType_20_3E_map"·name="BALL::TMutexLocker_3C_20MutexLockerType_2C_20MutexType_20_3E_map">
82 <area·href="../../df/d1d/a20022.html"·alt="MutexLockerType"·shape="rect"·coords="0,0,325,24"/>82 <area·href="../../df/d1d/a20022.html"·alt="MutexLockerType"·shape="rect"·coords="0,0,325,24"/>
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90 <tr·class="separator:a5c7db7defc342fc8ba6a8dc3d5530d0a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a5c7db7defc342fc8ba6a8dc3d5530d0a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table>91 </table>
92 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>92 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
93 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·<a·class="el"·href="../../df/d1d/a20022.html">MutexLockerType</a>,·class·<a·class="el"·href="../../d2/ddf/a20018.html">MutexType</a>&gt;<br·/>93 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·<a·class="el"·href="../../df/d1d/a20022.html">MutexLockerType</a>,·class·<a·class="el"·href="../../d2/ddf/a20018.html">MutexType</a>&gt;<br·/>
94 class·BALL::TMutexLocker&lt;·MutexLockerType,·MutexType·&gt;</div><p·>This·class·provides·a·very·thin·wrapper·around·different·mutex·locker·types.·As·default,·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·supports·QMutexLocker,·but·it·can·be·easily·extended·to·support·the·same·functionality·with·classes·from·boost·or·Intel·Thread·Building·Blocks.</p>94 class·BALL::TMutexLocker&lt;·MutexLockerType,·MutexType·&gt;</div><p·>This·class·provides·a·very·thin·wrapper·around·different·mutex·locker·types.·As·default,·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·supports·QMutexLocker,·but·it·can·be·easily·extended·to·support·the·same·functionality·with·classes·from·boost·or·Intel·Thread·Building·Blocks.</p>
95 <p·>A·BALL-mutex·locker·needs·to·provide·a·constructor·which·is·called·with·a·pointer·to·a·corresponding·<a·class="el"·href="../../d2/d7a/a07366.html">TMutex</a>.·Upon·construction,·the·mutex·is·automatically·locked,·and·is·automatically·unlocked·when·the·mutex·runs·out·of·scope.·</p>95 <p·>A·BALL-mutex·locker·needs·to·provide·a·constructor·which·is·called·with·a·pointer·to·a·corresponding·<a·class="el"·href="../../d2/d7a/a07366.html">TMutex</a>.·Upon·construction,·the·mutex·is·automatically·locked,·and·is·automatically·unlocked·when·the·mutex·runs·out·of·scope.·</p>
  
96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">mutex.h</a>.</p>96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
97 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>97 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
98 <a·id="a5c7db7defc342fc8ba6a8dc3d5530d0a"·name="a5c7db7defc342fc8ba6a8dc3d5530d0a"></a>98 <a·id="a5c7db7defc342fc8ba6a8dc3d5530d0a"·name="a5c7db7defc342fc8ba6a8dc3d5530d0a"></a>
99 <h2·class="memtitle"><span·class="permalink"><a·href="#a5c7db7defc342fc8ba6a8dc3d5530d0a">&#9670;&nbsp;</a></span>TMutexLocker()</h2>99 <h2·class="memtitle"><span·class="permalink"><a·href="#a5c7db7defc342fc8ba6a8dc3d5530d0a">&#9670;&nbsp;</a></span>TMutexLocker()</h2>
  
100 <div·class="memitem">100 <div·class="memitem">
101 <div·class="memproto">101 <div·class="memproto">
102 <div·class="memtemplate">102 <div·class="memtemplate">
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119 ··<td·class="mlabels-right">119 ··<td·class="mlabels-right">
120 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>120 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
121 ··</tr>121 ··</tr>
122 </table>122 </table>
123 </div><div·class="memdoc">123 </div><div·class="memdoc">
  
124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">mutex.h</a>.</p>124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
  
125 </div>125 </div>
126 </div>126 </div>
127 </div><!--·contents·-->127 </div><!--·contents·-->
128 <!--·start·footer·part·-->128 <!--·start·footer·part·-->
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d0/d12/a07271.html">List·of·all·members</a>··</div>70 <a·href="../../d0/d12/a07271.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::SESComputer·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::SESComputer·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../dc/d25/a00596_source.html">BALL/STRUCTURE/solventExcludedSurface.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../db/d7f/a01718_source.html">BALL/STRUCTURE/solventExcludedSurface.h</a>&gt;</code></p>
75 <table·class="memberdecls">75 <table·class="memberdecls">
76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>76 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
77 Public·Member·Functions</h2></td></tr>77 Public·Member·Functions</h2></td></tr>
78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>78 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>
79 <tr·class="memitem:a03a0cd316b0ecd38a67f5ccf3a43c8ad"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d94/a07274.html#a03a0cd316b0ecd38a67f5ccf3a43c8ad">SESComputer</a>·()</td></tr>79 <tr·class="memitem:a03a0cd316b0ecd38a67f5ccf3a43c8ad"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d94/a07274.html#a03a0cd316b0ecd38a67f5ccf3a43c8ad">SESComputer</a>·()</td></tr>
80 <tr·class="separator:a03a0cd316b0ecd38a67f5ccf3a43c8ad"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a03a0cd316b0ecd38a67f5ccf3a43c8ad"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a94414cae0f31d216621b6633191c569a"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d94/a07274.html#a94414cae0f31d216621b6633191c569a">SESComputer</a>·(<a·class="el"·href="../../d7/d12/a07270.html">SolventExcludedSurface</a>·*ses)</td></tr>81 <tr·class="memitem:a94414cae0f31d216621b6633191c569a"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d94/a07274.html#a94414cae0f31d216621b6633191c569a">SESComputer</a>·(<a·class="el"·href="../../d7/d12/a07270.html">SolventExcludedSurface</a>·*ses)</td></tr>
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91 <tr·class="separator:a200eff52eaefe489f970577256c23bdb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a200eff52eaefe489f970577256c23bdb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:ae8cb85a131e82658b7546accdd554f13"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d94/a07274.html#ae8cb85a131e82658b7546accdd554f13">run</a>·()</td></tr>92 <tr·class="memitem:ae8cb85a131e82658b7546accdd554f13"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d94/a07274.html#ae8cb85a131e82658b7546accdd554f13">run</a>·()</td></tr>
93 <tr·class="separator:ae8cb85a131e82658b7546accdd554f13"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:ae8cb85a131e82658b7546accdd554f13"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>94 </table>
95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock"><p·>Generic·<a·class="el"·href="../../de/d94/a07274.html">SESComputer</a>·Class.·&lt;&gt;·</p>96 <div·class="textblock"><p·>Generic·<a·class="el"·href="../../de/d94/a07274.html">SESComputer</a>·Class.·&lt;&gt;·</p>
  
97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d25/a00596_source.html#l00317">317</a>·of·file·<a·class="el"·href="../../dc/d25/a00596_source.html">solventExcludedSurface.h</a>.</p>97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7f/a01718_source.html#l00317">317</a>·of·file·<a·class="el"·href="../../db/d7f/a01718_source.html">solventExcludedSurface.h</a>.</p>
98 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>98 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
99 <a·id="a03a0cd316b0ecd38a67f5ccf3a43c8ad"·name="a03a0cd316b0ecd38a67f5ccf3a43c8ad"></a>99 <a·id="a03a0cd316b0ecd38a67f5ccf3a43c8ad"·name="a03a0cd316b0ecd38a67f5ccf3a43c8ad"></a>
100 <h2·class="memtitle"><span·class="permalink"><a·href="#a03a0cd316b0ecd38a67f5ccf3a43c8ad">&#9670;&nbsp;</a></span>SESComputer()·<span·class="overload">[1/2]</span></h2>100 <h2·class="memtitle"><span·class="permalink"><a·href="#a03a0cd316b0ecd38a67f5ccf3a43c8ad">&#9670;&nbsp;</a></span>SESComputer()·<span·class="overload">[1/2]</span></h2>
  
101 <div·class="memitem">101 <div·class="memitem">
102 <div·class="memproto">102 <div·class="memproto">
103 ······<table·class="memname">103 ······<table·class="memname">
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201 ··</td>201 ··</td>
202 ··<td·class="mlabels-right">202 ··<td·class="mlabels-right">
203 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>203 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
204 ··</tr>204 ··</tr>
205 </table>205 </table>
206 </div><div·class="memdoc">206 </div><div·class="memdoc">
  
207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d25/a00596_source.html#l00444">444</a>·of·file·<a·class="el"·href="../../dc/d25/a00596_source.html">solventExcludedSurface.h</a>.</p>207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7f/a01718_source.html#l00444">444</a>·of·file·<a·class="el"·href="../../db/d7f/a01718_source.html">solventExcludedSurface.h</a>.</p>
  
208 </div>208 </div>
209 </div>209 </div>
210 <a·id="a200eff52eaefe489f970577256c23bdb"·name="a200eff52eaefe489f970577256c23bdb"></a>210 <a·id="a200eff52eaefe489f970577256c23bdb"·name="a200eff52eaefe489f970577256c23bdb"></a>
211 <h2·class="memtitle"><span·class="permalink"><a·href="#a200eff52eaefe489f970577256c23bdb">&#9670;&nbsp;</a></span>vertex_grid_</h2>211 <h2·class="memtitle"><span·class="permalink"><a·href="#a200eff52eaefe489f970577256c23bdb">&#9670;&nbsp;</a></span>vertex_grid_</h2>
  
212 <div·class="memitem">212 <div·class="memitem">
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225 ··</td>225 ··</td>
226 ··<td·class="mlabels-right">226 ··<td·class="mlabels-right">
227 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>227 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
228 ··</tr>228 ··</tr>
229 </table>229 </table>
230 </div><div·class="memdoc">230 </div><div·class="memdoc">
  
231 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d25/a00596_source.html#l00447">447</a>·of·file·<a·class="el"·href="../../dc/d25/a00596_source.html">solventExcludedSurface.h</a>.</p>231 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7f/a01718_source.html#l00447">447</a>·of·file·<a·class="el"·href="../../db/d7f/a01718_source.html">solventExcludedSurface.h</a>.</p>
  
232 </div>232 </div>
233 </div>233 </div>
234 </div><!--·contents·-->234 </div><!--·contents·-->
235 <!--·start·footer·part·-->235 <!--·start·footer·part·-->
236 <hr·class="footer"/><address·class="footer"><small>236 <hr·class="footer"/><address·class="footer"><small>
237 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4237 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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./usr/share/doc/libball1.5/html/BALL/de/d96/a01685.html
    
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8 <title>BALL:·pluginManager.h·File·Reference</title>8 <title>BALL:·KGreedyBondOrderStrategy.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
59 ········name="MSearchResults"·id="MSearchResults">59 ········name="MSearchResults"·id="MSearchResults">
60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_c8e27d334dbf29715d417e80ae19bc06.html">PLUGIN</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li><li·class="navelem"><a·class="el"·href="../../dir_6ac6220cac5eaca96612654e61f12e3a.html">BONDORDERS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">pluginManager.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">KGreedyBondOrderStrategy.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d53/a01688_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignmentStrategy.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d4/d26/a01700_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignment.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../dd/d08/a01682_source.html">BALL/STRUCTURE/BONDORDERS/AStarBondOrderStrategy.h</a>&gt;</code><br·/>
76 <code>#include·&lt;QtCore/QString&gt;</code><br·/> 
77 <code>#include·&lt;QtCore/QStringList&gt;</code><br·/> 
78 <code>#include·&lt;QtCore/QHash&gt;</code><br·/> 
79 <code>#include·&lt;QtCore/QMutex&gt;</code><br·/> 
80 <code>#include·&lt;QtCore/QReadWriteLock&gt;</code><br·/> 
81 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/> 
82 <code>#include·&lt;list&gt;</code><br·/> 
83 <code>#include·&lt;map&gt;</code><br·/> 
84 </div>77 </div>
85 <p><a·href="../../de/d96/a01685_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../de/d96/a01685_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">79 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>81 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d74/a05554.html">BALL::PluginManager</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d52/a06806.html">BALL::KGreedyBondOrderStrategy</a></td></tr>
 83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d58/a06810.html">BALL::KGreedyBondOrderStrategy::Option</a></td></tr>
 85 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d9/d58/a06810.html"·title="Option·names.">Option</a>·names.··<a·href="../../d9/d58/a06810.html#details">More...</a><br·/></td></tr>
 86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d85/a06814.html">BALL::KGreedyBondOrderStrategy::Default</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
93 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../df/d4a/a03051.html">List·of·all·members</a>··</div>72 <a·href="../../df/d4a/a03051.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::Exception::IndexUnderflow·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::Exception::IndexUnderflow·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::Exception::IndexUnderflow:</div>78 Inheritance·diagram·for·BALL::Exception::IndexUnderflow:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../de/d96/a03054.png"·usemap="#BALL::Exception::IndexUnderflow_map"·alt=""/>81 ··<img·src="../../de/d96/a03054.png"·usemap="#BALL::Exception::IndexUnderflow_map"·alt=""/>
82 ··<map·id="BALL::Exception::IndexUnderflow_map"·name="BALL::Exception::IndexUnderflow_map">82 ··<map·id="BALL::Exception::IndexUnderflow_map"·name="BALL::Exception::IndexUnderflow_map">
83 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>83 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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142 ··<table·class="params">142 ··<table·class="params">
143 ····<tr><td·class="paramname">index</td><td>the·value·of·the·index·causing·the·problem·</td></tr>143 ····<tr><td·class="paramname">index</td><td>the·value·of·the·index·causing·the·problem·</td></tr>
144 ····<tr><td·class="paramname">size</td><td>smallest·value·allowed·for·index·</td></tr>144 ····<tr><td·class="paramname">size</td><td>smallest·value·allowed·for·index·</td></tr>
145 ··</table>145 ··</table>
146 ··</dd>146 ··</dd>
147 </dl>147 </dl>
  
148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00122">122</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00122">122</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
149 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>149 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
150 <a·id="ab9c991c0d60ca18250fbf128be92724d"·name="ab9c991c0d60ca18250fbf128be92724d"></a>150 <a·id="ab9c991c0d60ca18250fbf128be92724d"·name="ab9c991c0d60ca18250fbf128be92724d"></a>
151 <h2·class="memtitle"><span·class="permalink"><a·href="#ab9c991c0d60ca18250fbf128be92724d">&#9670;&nbsp;</a></span>IndexUnderflow()</h2>151 <h2·class="memtitle"><span·class="permalink"><a·href="#ab9c991c0d60ca18250fbf128be92724d">&#9670;&nbsp;</a></span>IndexUnderflow()</h2>
  
152 <div·class="memitem">152 <div·class="memitem">
153 <div·class="memproto">153 <div·class="memproto">
154 ······<table·class="memname">154 ······<table·class="memname">
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205 ··</td>205 ··</td>
206 ··<td·class="mlabels-right">206 ··<td·class="mlabels-right">
207 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>207 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
208 ··</tr>208 ··</tr>
209 </table>209 </table>
210 </div><div·class="memdoc">210 </div><div·class="memdoc">
  
211 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00133">133</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>211 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00133">133</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
  
212 </div>212 </div>
213 </div>213 </div>
214 <a·id="a482fbd763bc7e1145134b228c92f780b"·name="a482fbd763bc7e1145134b228c92f780b"></a>214 <a·id="a482fbd763bc7e1145134b228c92f780b"·name="a482fbd763bc7e1145134b228c92f780b"></a>
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216 <div·class="memitem">216 <div·class="memitem">
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229 ··</td>229 ··</td>
230 ··<td·class="mlabels-right">230 ··<td·class="mlabels-right">
231 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>231 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
232 ··</tr>232 ··</tr>
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235 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>235 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
  
236 </div>236 </div>
237 </div>237 </div>
238 </div><!--·contents·-->238 </div><!--·contents·-->
239 <!--·start·footer·part·-->239 <!--·start·footer·part·-->
240 <hr·class="footer"/><address·class="footer"><small>240 <hr·class="footer"/><address·class="footer"><small>
241 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4241 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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67 </div><!--·top·-->67 </div><!--·top·-->
68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#define-members">Macros</a>··</div>70 <a·href="#define-members">Macros</a>··</div>
71 ··<div·class="headertitle"><div·class="title">DATATYPE/forEach.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">DATATYPE/forEach.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 </div>75 </div>
76 <p><a·href="../../de/d98/a20341_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../de/d98/a20341_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>
79 Macros</h2></td></tr>79 Macros</h2></td></tr>
80 <tr·class="memitem:ae3d1bf0414c7338e893225c0544c2b2c"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d98/a20341.html#ae3d1bf0414c7338e893225c0544c2b2c">BALL_FOREACH</a>(container,··element_iterator)</td></tr>80 <tr·class="memitem:ae3d1bf0414c7338e893225c0544c2b2c"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d98/a20341.html#ae3d1bf0414c7338e893225c0544c2b2c">BALL_FOREACH</a>(container,··element_iterator)</td></tr>
81 <tr·class="separator:ae3d1bf0414c7338e893225c0544c2b2c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:ae3d1bf0414c7338e893225c0544c2b2c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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73 <div·class="line"><a·id="l00002"·name="l00002"></a><span·class="lineno">····2</span><span·class="comment">//·vi:·set·ts=2:</span></div>73 <div·class="line"><a·id="l00002"·name="l00002"></a><span·class="lineno">····2</span><span·class="comment">//·vi:·set·ts=2:</span></div>
74 <div·class="line"><a·id="l00003"·name="l00003"></a><span·class="lineno">····3</span><span·class="comment">//</span></div>74 <div·class="line"><a·id="l00003"·name="l00003"></a><span·class="lineno">····3</span><span·class="comment">//</span></div>
75 <div·class="line"><a·id="l00004"·name="l00004"></a><span·class="lineno">····4</span>·</div>75 <div·class="line"><a·id="l00004"·name="l00004"></a><span·class="lineno">····4</span>·</div>
76 <div·class="line"><a·id="l00005"·name="l00005"></a><span·class="lineno">····5</span><span·class="preprocessor">#ifndef·BALL_DATATYPE_FOREACH_H</span></div>76 <div·class="line"><a·id="l00005"·name="l00005"></a><span·class="lineno">····5</span><span·class="preprocessor">#ifndef·BALL_DATATYPE_FOREACH_H</span></div>
77 <div·class="line"><a·id="l00006"·name="l00006"></a><span·class="lineno">····6</span><span·class="preprocessor">#define·BALL_DATATYPE_FOREACH_H</span></div>77 <div·class="line"><a·id="l00006"·name="l00006"></a><span·class="lineno">····6</span><span·class="preprocessor">#define·BALL_DATATYPE_FOREACH_H</span></div>
78 <div·class="line"><a·id="l00007"·name="l00007"></a><span·class="lineno">····7</span>·</div>78 <div·class="line"><a·id="l00007"·name="l00007"></a><span·class="lineno">····7</span>·</div>
79 <div·class="line"><a·id="l00008"·name="l00008"></a><span·class="lineno">····8</span><span·class="preprocessor">#ifndef·BALL_COMMON_H</span></div>79 <div·class="line"><a·id="l00008"·name="l00008"></a><span·class="lineno">····8</span><span·class="preprocessor">#ifndef·BALL_COMMON_H</span></div>
80 <div·class="line"><a·id="l00009"·name="l00009"></a><span·class="lineno">····9</span><span·class="preprocessor">#·include·&lt;<a·class="code"·href="../../d3/dbd/a01100.html">BALL/common.h</a>&gt;</span></div>80 <div·class="line"><a·id="l00009"·name="l00009"></a><span·class="lineno">····9</span><span·class="preprocessor">#·include·&lt;<a·class="code"·href="../../d3/dd5/a00215.html">BALL/common.h</a>&gt;</span></div>
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83 <div·class="line"><a·id="l00030"·name="l00030"></a><span·class="lineno">···30</span><span·class="preprocessor">for·(element_iterator·=·container.begin();·\</span></div>83 <div·class="line"><a·id="l00030"·name="l00030"></a><span·class="lineno">···30</span><span·class="preprocessor">for·(element_iterator·=·container.begin();·\</span></div>
84 <div·class="line"><a·id="l00031"·name="l00031"></a><span·class="lineno">···31</span><span·class="preprocessor">·····!element_iterator.isEnd();·\</span></div>84 <div·class="line"><a·id="l00031"·name="l00031"></a><span·class="lineno">···31</span><span·class="preprocessor">·····!element_iterator.isEnd();·\</span></div>
85 <div·class="line"><a·id="l00032"·name="l00032"></a><span·class="lineno">···32</span><span·class="preprocessor">·····++element_iterator)</span></div>85 <div·class="line"><a·id="l00032"·name="l00032"></a><span·class="lineno">···32</span><span·class="preprocessor">·····++element_iterator)</span></div>
86 <div·class="line"><a·id="l00033"·name="l00033"></a><span·class="lineno">···33</span>·</div>86 <div·class="line"><a·id="l00033"·name="l00033"></a><span·class="lineno">···33</span>·</div>
87 <div·class="line"><a·id="l00034"·name="l00034"></a><span·class="lineno">···34</span><span·class="preprocessor">#endif·</span><span·class="comment">//·BALL_DATATYPE_FOREACH_H</span></div>87 <div·class="line"><a·id="l00034"·name="l00034"></a><span·class="lineno">···34</span><span·class="preprocessor">#endif·</span><span·class="comment">//·BALL_DATATYPE_FOREACH_H</span></div>
88 <div·class="ttc"·id="aa01100_html"><div·class="ttname"><a·href="../../d3/dbd/a01100.html">common.h</a></div></div>88 <div·class="ttc"·id="aa00215_html"><div·class="ttname"><a·href="../../d3/dd5/a00215.html">common.h</a></div></div>
89 </div><!--·fragment·--></div><!--·contents·-->89 </div><!--·fragment·--></div><!--·contents·-->
90 <!--·start·footer·part·-->90 <!--·start·footer·part·-->
91 <hr·class="footer"/><address·class="footer"><small>91 <hr·class="footer"/><address·class="footer"><small>
92 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.492 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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77 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/> 
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79 <p><a·href="../../de/d9d/a01382_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../de/d9d/a01382_source.html">Go·to·the·source·code·of·this·file.</a></p>
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71 ··<div·class="headertitle"><div·class="title">partialChargeProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">aromaticRingStacking.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d93/a00341_source.html">BALL/KERNEL/PTE.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d15/a00416_source.html">BALL/QSAR/aromaticityProcessor.h</a>&gt;</code><br·/>
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76 <code>#include·&lt;vector&gt;</code><br·/> 
77 <code>#include·&lt;utility&gt;</code><br·/> 
78 </div>80 </div>
79 <p><a·href="../../de/d9d/a02072_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../de/d9d/a02072_source.html">Go·to·the·source·code·of·this·file.</a></p>
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76 <p><a·href="../../de/d9e/a01061_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../de/d9e/a01061_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">81 <table·class="memberdecls">
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87 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>91 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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71 <a·href="../../df/d2f/a06551.html">List·of·all·members</a>··</div>71 <a·href="../../df/d2f/a06551.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PierottiCavFreeEnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PierottiCavFreeEnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d3d/a01784_source.html">BALL/SOLVATION/pierottiCavFreeEnergyProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/dba/a01940_source.html">BALL/SOLVATION/pierottiCavFreeEnergyProcessor.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::PierottiCavFreeEnergyProcessor:</div>77 Inheritance·diagram·for·BALL::PierottiCavFreeEnergyProcessor:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../de/d9f/a06554.png"·usemap="#BALL::PierottiCavFreeEnergyProcessor_map"·alt=""/>80 ··<img·src="../../de/d9f/a06554.png"·usemap="#BALL::PierottiCavFreeEnergyProcessor_map"·alt=""/>
81 ··<map·id="BALL::PierottiCavFreeEnergyProcessor_map"·name="BALL::PierottiCavFreeEnergyProcessor_map">81 ··<map·id="BALL::PierottiCavFreeEnergyProcessor_map"·name="BALL::PierottiCavFreeEnergyProcessor_map">
82 <area·href="../../de/db6/a03826.html"·alt="BALL::EnergyProcessor"·shape="rect"·coords="0,112,341,136"/>82 <area·href="../../de/db6/a03826.html"·alt="BALL::EnergyProcessor"·shape="rect"·coords="0,112,341,136"/>
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167 <tr·class="memitem:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db6/a03826.html#a3ea3669e5486c28c28cc24716f7b058b">valid_</a></td></tr>167 <tr·class="memitem:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db6/a03826.html#a3ea3669e5486c28c28cc24716f7b058b">valid_</a></td></tr>
168 <tr·class="separator:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>168 <tr·class="separator:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
169 </table>169 </table>
170 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>170 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
171 <div·class="textblock"><p·><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·the·computation·of·the·cavitation·free·energy.·This·processor·is·using·the·SPT·theory·approach·by·Pierotti,·Chem.·Rev.·76(6):717&ndash;726,·1976·with·the·modification·for·non-spherical·solutes·by·Huron/Claverie,·J.·Phys.·Chem.·76(15):2123-2133,·1972.·</p><dl·class="section·user"><dt></dt><dd>Energy·returned·in·units·of·kJ/mol.·</dd></dl>171 <div·class="textblock"><p·><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·the·computation·of·the·cavitation·free·energy.·This·processor·is·using·the·SPT·theory·approach·by·Pierotti,·Chem.·Rev.·76(6):717&ndash;726,·1976·with·the·modification·for·non-spherical·solutes·by·Huron/Claverie,·J.·Phys.·Chem.·76(15):2123-2133,·1972.·</p><dl·class="section·user"><dt></dt><dd>Energy·returned·in·units·of·kJ/mol.·</dd></dl>
172 <dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>172 <dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>
  
173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d3d/a01784_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d6/d3d/a01784_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>
174 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>174 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
175 <a·id="a3d5827984ec37082081b98a340522bd5"·name="a3d5827984ec37082081b98a340522bd5"></a>175 <a·id="a3d5827984ec37082081b98a340522bd5"·name="a3d5827984ec37082081b98a340522bd5"></a>
176 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d5827984ec37082081b98a340522bd5">&#9670;&nbsp;</a></span>PierottiCavFreeEnergyProcessor()·<span·class="overload">[1/2]</span></h2>176 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d5827984ec37082081b98a340522bd5">&#9670;&nbsp;</a></span>PierottiCavFreeEnergyProcessor()·<span·class="overload">[1/2]</span></h2>
  
177 <div·class="memitem">177 <div·class="memitem">
178 <div·class="memproto">178 <div·class="memproto">
179 ······<table·class="memname">179 ······<table·class="memname">
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342 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::PierottiCavFreeEnergyProcessor::options</td>342 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::PierottiCavFreeEnergyProcessor::options</td>
343 ········</tr>343 ········</tr>
344 ······</table>344 ······</table>
345 </div><div·class="memdoc">345 </div><div·class="memdoc">
346 <p·><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·for·the·calculation·of·the·caviation·free·energy·</p>346 <p·><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·for·the·calculation·of·the·caviation·free·energy·</p>
  
347 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d3d/a01784_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../d6/d3d/a01784_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>347 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>
  
348 </div>348 </div>
349 </div>349 </div>
350 </div><!--·contents·-->350 </div><!--·contents·-->
351 <!--·start·footer·part·-->351 <!--·start·footer·part·-->
352 <hr·class="footer"/><address·class="footer"><small>352 <hr·class="footer"/><address·class="footer"><small>
353 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4353 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../dc/d4f/a06727.html">List·of·all·members</a>··</div>71 <a·href="../../dc/d4f/a06727.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::BranchAndBoundBondOrderStrategy·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::BranchAndBoundBondOrderStrategy·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../dd/dc0/a00611_source.html">BALL/STRUCTURE/BONDORDERS/branchAndBoundBondOrderStrategy.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../df/d12/a01703_source.html">BALL/STRUCTURE/BONDORDERS/branchAndBoundBondOrderStrategy.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::BranchAndBoundBondOrderStrategy:</div>77 Inheritance·diagram·for·BALL::BranchAndBoundBondOrderStrategy:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../de/d9f/a06730.png"·usemap="#BALL::BranchAndBoundBondOrderStrategy_map"·alt=""/>80 ··<img·src="../../de/d9f/a06730.png"·usemap="#BALL::BranchAndBoundBondOrderStrategy_map"·alt=""/>
81 ··<map·id="BALL::BranchAndBoundBondOrderStrategy_map"·name="BALL::BranchAndBoundBondOrderStrategy_map">81 ··<map·id="BALL::BranchAndBoundBondOrderStrategy_map"·name="BALL::BranchAndBoundBondOrderStrategy_map">
82 <area·href="../../db/d52/a06806.html"·alt="BALL::KGreedyBondOrderStrategy"·shape="rect"·coords="0,112,259,136"/>82 <area·href="../../db/d52/a06806.html"·alt="BALL::KGreedyBondOrderStrategy"·shape="rect"·coords="0,112,259,136"/>
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164 <tr·class="memdesc:ac4ffb0a01f3871dbf92e338ed6b93ee3·inherit·pro_attribs_a06706"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·priority·queue.··<a·href="../../d2/da4/a06706.html#ac4ffb0a01f3871dbf92e338ed6b93ee3">More...</a><br·/></td></tr>164 <tr·class="memdesc:ac4ffb0a01f3871dbf92e338ed6b93ee3·inherit·pro_attribs_a06706"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·priority·queue.··<a·href="../../d2/da4/a06706.html#ac4ffb0a01f3871dbf92e338ed6b93ee3">More...</a><br·/></td></tr>
165 <tr·class="separator:ac4ffb0a01f3871dbf92e338ed6b93ee3·inherit·pro_attribs_a06706"><td·class="memSeparator"·colspan="2">&#160;</td></tr>165 <tr·class="separator:ac4ffb0a01f3871dbf92e338ed6b93ee3·inherit·pro_attribs_a06706"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
166 </table>166 </table>
167 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>167 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
168 <div·class="textblock"><p·>Branch-and-bound·algorithm·for·bond·order·assignment.</p>168 <div·class="textblock"><p·>Branch-and-bound·algorithm·for·bond·order·assignment.</p>
169 <p·>This·class·implements·a·(possibly·sub-optimal)·branch·and·bound·approach·for·the·bond·order·assignment·problem·that·can·be·used·by·the·<a·class="el"·href="../../dd/da3/a06634.html">AssignBondOrderProcessor·</a>.·The·implementation·of·this·strategy·is·very·similar·to·the·KGreedy·approach·and·much·of·its·functionality·can·be·reused.·We·thus·derive·from·<a·class="el"·href="../../db/d52/a06806.html">KGreedyBondOrderStrategy·</a>.·</p>169 <p·>This·class·implements·a·(possibly·sub-optimal)·branch·and·bound·approach·for·the·bond·order·assignment·problem·that·can·be·used·by·the·<a·class="el"·href="../../dd/da3/a06634.html">AssignBondOrderProcessor·</a>.·The·implementation·of·this·strategy·is·very·similar·to·the·KGreedy·approach·and·much·of·its·functionality·can·be·reused.·We·thus·derive·from·<a·class="el"·href="../../db/d52/a06806.html">KGreedyBondOrderStrategy·</a>.·</p>
  
170 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dc0/a00611_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../dd/dc0/a00611_source.html">branchAndBoundBondOrderStrategy.h</a>.</p>170 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d12/a01703_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../df/d12/a01703_source.html">branchAndBoundBondOrderStrategy.h</a>.</p>
171 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>171 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
172 <a·id="ab29c3441b34059a6ef3676bb92deee08"·name="ab29c3441b34059a6ef3676bb92deee08"></a>172 <a·id="ab29c3441b34059a6ef3676bb92deee08"·name="ab29c3441b34059a6ef3676bb92deee08"></a>
173 <h2·class="memtitle"><span·class="permalink"><a·href="#ab29c3441b34059a6ef3676bb92deee08">&#9670;&nbsp;</a></span>BranchAndBoundBondOrderStrategy()</h2>173 <h2·class="memtitle"><span·class="permalink"><a·href="#ab29c3441b34059a6ef3676bb92deee08">&#9670;&nbsp;</a></span>BranchAndBoundBondOrderStrategy()</h2>
  
174 <div·class="memitem">174 <div·class="memitem">
175 <div·class="memproto">175 <div·class="memproto">
176 ······<table·class="memname">176 ······<table·class="memname">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../df/d53/a04623.html">List·of·all·members</a>··</div>71 <a·href="../../df/d53/a04623.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ResidueIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ResidueIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/d10/a00350_source.html">BALL/KERNEL/residueIterator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/db1/a00590_source.html">BALL/KERNEL/residueIterator.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::ResidueIteratorTraits:</div>77 Inheritance·diagram·for·BALL::ResidueIteratorTraits:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../de/da0/a04626.png"·usemap="#BALL::ResidueIteratorTraits_map"·alt=""/>80 ··<img·src="../../de/da0/a04626.png"·usemap="#BALL::ResidueIteratorTraits_map"·alt=""/>
81 ··<map·id="BALL::ResidueIteratorTraits_map"·name="BALL::ResidueIteratorTraits_map">81 ··<map·id="BALL::ResidueIteratorTraits_map"·name="BALL::ResidueIteratorTraits_map">
82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>82 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>
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184 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>184 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>
185 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<a·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">More...</a><br·/></td></tr>185 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<a·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">More...</a><br·/></td></tr>
186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>186 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
187 </table>187 </table>
188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
189 <div·class="textblock"><p·><a·class="el"·href="../../de/da0/a04626.html">ResidueIteratorTraits</a>·</p>189 <div·class="textblock"><p·><a·class="el"·href="../../de/da0/a04626.html">ResidueIteratorTraits</a>·</p>
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d10/a00350_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../db/d10/a00350_source.html">residueIterator.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/db1/a00590_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d7/db1/a00590_source.html">residueIterator.h</a>.</p>
191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>191 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
192 <a·id="ab791328840198f0040e1b2c6ff453ef6"·name="ab791328840198f0040e1b2c6ff453ef6"></a>192 <a·id="ab791328840198f0040e1b2c6ff453ef6"·name="ab791328840198f0040e1b2c6ff453ef6"></a>
193 <h2·class="memtitle"><span·class="permalink"><a·href="#ab791328840198f0040e1b2c6ff453ef6">&#9670;&nbsp;</a></span>ResidueIteratorTraits()·<span·class="overload">[1/3]</span></h2>193 <h2·class="memtitle"><span·class="permalink"><a·href="#ab791328840198f0040e1b2c6ff453ef6">&#9670;&nbsp;</a></span>ResidueIteratorTraits()·<span·class="overload">[1/3]</span></h2>
  
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195 <div·class="memproto">195 <div·class="memproto">
196 <table·class="mlabels">196 <table·class="mlabels">
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210 ··<td·class="mlabels-right">210 ··<td·class="mlabels-right">
211 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>211 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
212 ··</tr>212 ··</tr>
213 </table>213 </table>
214 </div><div·class="memdoc">214 </div><div·class="memdoc">
  
215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d10/a00350_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../db/d10/a00350_source.html">residueIterator.h</a>.</p>215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/db1/a00590_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d7/db1/a00590_source.html">residueIterator.h</a>.</p>
  
216 </div>216 </div>
217 </div>217 </div>
218 <a·id="ad1d19ec915c685db1ba96cca03485c92"·name="ad1d19ec915c685db1ba96cca03485c92"></a>218 <a·id="ad1d19ec915c685db1ba96cca03485c92"·name="ad1d19ec915c685db1ba96cca03485c92"></a>
219 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1d19ec915c685db1ba96cca03485c92">&#9670;&nbsp;</a></span>ResidueIteratorTraits()·<span·class="overload">[2/3]</span></h2>219 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1d19ec915c685db1ba96cca03485c92">&#9670;&nbsp;</a></span>ResidueIteratorTraits()·<span·class="overload">[2/3]</span></h2>
  
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238 ··<td·class="mlabels-right">238 ··<td·class="mlabels-right">
239 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>239 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
240 ··</tr>240 ··</tr>
241 </table>241 </table>
242 </div><div·class="memdoc">242 </div><div·class="memdoc">
  
243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d10/a00350_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../db/d10/a00350_source.html">residueIterator.h</a>.</p>243 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/db1/a00590_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d7/db1/a00590_source.html">residueIterator.h</a>.</p>
  
244 </div>244 </div>
245 </div>245 </div>
246 <a·id="acc7b4a17fc957c8bca2bc8a2d4f329ae"·name="acc7b4a17fc957c8bca2bc8a2d4f329ae"></a>246 <a·id="acc7b4a17fc957c8bca2bc8a2d4f329ae"·name="acc7b4a17fc957c8bca2bc8a2d4f329ae"></a>
247 <h2·class="memtitle"><span·class="permalink"><a·href="#acc7b4a17fc957c8bca2bc8a2d4f329ae">&#9670;&nbsp;</a></span>ResidueIteratorTraits()·<span·class="overload">[3/3]</span></h2>247 <h2·class="memtitle"><span·class="permalink"><a·href="#acc7b4a17fc957c8bca2bc8a2d4f329ae">&#9670;&nbsp;</a></span>ResidueIteratorTraits()·<span·class="overload">[3/3]</span></h2>
  
248 <div·class="memitem">248 <div·class="memitem">
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275 ··</td>275 ··</td>
276 ··<td·class="mlabels-right">276 ··<td·class="mlabels-right">
277 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>277 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
278 ··</tr>278 ··</tr>
279 </table>279 </table>
280 </div><div·class="memdoc">280 </div><div·class="memdoc">
  
281 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d10/a00350_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../db/d10/a00350_source.html">residueIterator.h</a>.</p>281 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/db1/a00590_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d7/db1/a00590_source.html">residueIterator.h</a>.</p>
  
282 </div>282 </div>
283 </div>283 </div>
284 <h2·class="groupheader">Member·Function·Documentation</h2>284 <h2·class="groupheader">Member·Function·Documentation</h2>
285 <a·id="a69b8160b3224ce93a3e0ff51503a0f5e"·name="a69b8160b3224ce93a3e0ff51503a0f5e"></a>285 <a·id="a69b8160b3224ce93a3e0ff51503a0f5e"·name="a69b8160b3224ce93a3e0ff51503a0f5e"></a>
286 <h2·class="memtitle"><span·class="permalink"><a·href="#a69b8160b3224ce93a3e0ff51503a0f5e">&#9670;&nbsp;</a></span>operator=()</h2>286 <h2·class="memtitle"><span·class="permalink"><a·href="#a69b8160b3224ce93a3e0ff51503a0f5e">&#9670;&nbsp;</a></span>operator=()</h2>
  
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304 ··</td>304 ··</td>
305 ··<td·class="mlabels-right">305 ··<td·class="mlabels-right">
306 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>306 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
307 ··</tr>307 ··</tr>
308 </table>308 </table>
309 </div><div·class="memdoc">309 </div><div·class="memdoc">
  
310 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d10/a00350_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../db/d10/a00350_source.html">residueIterator.h</a>.</p>310 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/db1/a00590_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d7/db1/a00590_source.html">residueIterator.h</a>.</p>
  
311 </div>311 </div>
312 </div>312 </div>
313 <a·id="a0ce956401fd5a57f5749aad90071db99"·name="a0ce956401fd5a57f5749aad90071db99"></a>313 <a·id="a0ce956401fd5a57f5749aad90071db99"·name="a0ce956401fd5a57f5749aad90071db99"></a>
314 <h2·class="memtitle"><span·class="permalink"><a·href="#a0ce956401fd5a57f5749aad90071db99">&#9670;&nbsp;</a></span>resetPredicate()</h2>314 <h2·class="memtitle"><span·class="permalink"><a·href="#a0ce956401fd5a57f5749aad90071db99">&#9670;&nbsp;</a></span>resetPredicate()</h2>
  
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332 ··<td·class="mlabels-right">332 ··<td·class="mlabels-right">
333 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>333 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
334 ··</tr>334 ··</tr>
335 </table>335 </table>
336 </div><div·class="memdoc">336 </div><div·class="memdoc">
  
337 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d10/a00350_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../db/d10/a00350_source.html">residueIterator.h</a>.</p>337 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/db1/a00590_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d7/db1/a00590_source.html">residueIterator.h</a>.</p>
  
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343 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4343 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../d6/d9f/a04291.html">List·of·all·members</a>··</div>71 <a·href="../../d6/d9f/a04291.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordREMARK·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordREMARK·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:ad5a9628e10439b8adab73ad8d00f088d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/da2/a04294.html#ad5a9628e10439b8adab73ad8d00f088d">record_type</a></td></tr>79 <tr·class="memitem:ad5a9628e10439b8adab73ad8d00f088d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/da2/a04294.html#ad5a9628e10439b8adab73ad8d00f088d">record_type</a></td></tr>
80 <tr·class="separator:ad5a9628e10439b8adab73ad8d00f088d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:ad5a9628e10439b8adab73ad8d00f088d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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82 <tr·class="separator:a832356785348d3d99888e57207614f4c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a832356785348d3d99888e57207614f4c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:ab183dcded8e2885a0df06e0f356f3d4b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/da2/a04294.html#ab183dcded8e2885a0df06e0f356f3d4b">remark_number</a></td></tr>83 <tr·class="memitem:ab183dcded8e2885a0df06e0f356f3d4b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/da2/a04294.html#ab183dcded8e2885a0df06e0f356f3d4b">remark_number</a></td></tr>
84 <tr·class="separator:ab183dcded8e2885a0df06e0f356f3d4b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:ab183dcded8e2885a0df06e0f356f3d4b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 <tr·class="memitem:a2acfaf23a66e32ed83a3e5f251b66c91"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ae45e24f16e565ebe116461e438297dea">LString</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/da2/a04294.html#a2acfaf23a66e32ed83a3e5f251b66c91">text</a></td></tr>85 <tr·class="memitem:a2acfaf23a66e32ed83a3e5f251b66c91"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ae45e24f16e565ebe116461e438297dea">LString</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/da2/a04294.html#a2acfaf23a66e32ed83a3e5f251b66c91">text</a></td></tr>
86 <tr·class="separator:a2acfaf23a66e32ed83a3e5f251b66c91"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:a2acfaf23a66e32ed83a3e5f251b66c91"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table>87 </table>
88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>88 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
89 <div·class="textblock">89 <div·class="textblock">
90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00911">911</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>90 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00911">911</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
91 </div><h2·class="groupheader">Member·Data·Documentation</h2>91 </div><h2·class="groupheader">Member·Data·Documentation</h2>
92 <a·id="a832356785348d3d99888e57207614f4c"·name="a832356785348d3d99888e57207614f4c"></a>92 <a·id="a832356785348d3d99888e57207614f4c"·name="a832356785348d3d99888e57207614f4c"></a>
93 <h2·class="memtitle"><span·class="permalink"><a·href="#a832356785348d3d99888e57207614f4c">&#9670;&nbsp;</a></span>record_name</h2>93 <h2·class="memtitle"><span·class="permalink"><a·href="#a832356785348d3d99888e57207614f4c">&#9670;&nbsp;</a></span>record_name</h2>
  
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98 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordREMARK::record_name</td>98 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordREMARK::record_name</td>
99 ········</tr>99 ········</tr>
100 ······</table>100 ······</table>
101 </div><div·class="memdoc">101 </div><div·class="memdoc">
  
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00914">914</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00914">914</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
103 </div>103 </div>
104 </div>104 </div>
105 <a·id="ad5a9628e10439b8adab73ad8d00f088d"·name="ad5a9628e10439b8adab73ad8d00f088d"></a>105 <a·id="ad5a9628e10439b8adab73ad8d00f088d"·name="ad5a9628e10439b8adab73ad8d00f088d"></a>
106 <h2·class="memtitle"><span·class="permalink"><a·href="#ad5a9628e10439b8adab73ad8d00f088d">&#9670;&nbsp;</a></span>record_type</h2>106 <h2·class="memtitle"><span·class="permalink"><a·href="#ad5a9628e10439b8adab73ad8d00f088d">&#9670;&nbsp;</a></span>record_type</h2>
  
107 <div·class="memitem">107 <div·class="memitem">
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115 ········<tr>115 ········<tr>
116 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordREMARK::record_type</td>116 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordREMARK::record_type</td>
117 ········</tr>117 ········</tr>
118 ······</table>118 ······</table>
119 </div><div·class="memdoc">119 </div><div·class="memdoc">
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00913">913</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00913">913</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
121 </div>121 </div>
122 </div>122 </div>
123 <a·id="ab183dcded8e2885a0df06e0f356f3d4b"·name="ab183dcded8e2885a0df06e0f356f3d4b"></a>123 <a·id="ab183dcded8e2885a0df06e0f356f3d4b"·name="ab183dcded8e2885a0df06e0f356f3d4b"></a>
124 <h2·class="memtitle"><span·class="permalink"><a·href="#ab183dcded8e2885a0df06e0f356f3d4b">&#9670;&nbsp;</a></span>remark_number</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#ab183dcded8e2885a0df06e0f356f3d4b">&#9670;&nbsp;</a></span>remark_number</h2>
  
125 <div·class="memitem">125 <div·class="memitem">
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132 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordREMARK::remark_number</td>132 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordREMARK::remark_number</td>
133 ········</tr>133 ········</tr>
134 ······</table>134 ······</table>
135 </div><div·class="memdoc">135 </div><div·class="memdoc">
  
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75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code></p>
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196 <tr·class="separator:a453099724226bc716c68deac08bbf4e7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>196 <tr·class="separator:a453099724226bc716c68deac08bbf4e7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
197 <tr·class="memitem:a3d0b865daf93663589e09ba018543525"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/da3/a03606.html#a3d0b865daf93663589e09ba018543525">validateRange_</a>·(<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·&amp;from,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·&amp;len)·const</td></tr>197 <tr·class="memitem:a3d0b865daf93663589e09ba018543525"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/da3/a03606.html#a3d0b865daf93663589e09ba018543525">validateRange_</a>·(<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·&amp;from,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·&amp;len)·const</td></tr>
198 <tr·class="separator:a3d0b865daf93663589e09ba018543525"><td·class="memSeparator"·colspan="2">&#160;</td></tr>198 <tr·class="separator:a3d0b865daf93663589e09ba018543525"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
199 </table>199 </table>
200 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>200 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
201 <div·class="textblock"><p·>A·substring·class.·The·<a·class="el"·href="../../de/da3/a03606.html">Substring</a>·class·represents·an·efficient·way·to·deal·with·substrings·of·<a·class="el"·href="../../db/ddd/a02136.html">String·</a>·.·Each·<a·class="el"·href="../../de/da3/a03606.html">Substring</a>·is·bound·to·an·instance·of·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·and·is·defined·by·a·start·and·end·index.·It·can·be·used·like·a·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·(with·several·restrictions)·but·only·affects·the·given·range·of·the·string·it·is·bound·to.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>201 <div·class="textblock"><p·>A·substring·class.·The·<a·class="el"·href="../../de/da3/a03606.html">Substring</a>·class·represents·an·efficient·way·to·deal·with·substrings·of·<a·class="el"·href="../../db/ddd/a02136.html">String·</a>·.·Each·<a·class="el"·href="../../de/da3/a03606.html">Substring</a>·is·bound·to·an·instance·of·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·and·is·defined·by·a·start·and·end·index.·It·can·be·used·like·a·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·(with·several·restrictions)·but·only·affects·the·given·range·of·the·string·it·is·bound·to.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
202 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d99/a01901_source.html#l01385">1385</a>·of·file·<a·class="el"·href="../../d5/d99/a01901_source.html">string.h</a>.</p>202 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d56/a00707_source.html#l01385">1385</a>·of·file·<a·class="el"·href="../../d1/d56/a00707_source.html">string.h</a>.</p>
203 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>203 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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205 <h2·class="memtitle"><span·class="permalink"><a·href="#ab4e603b3dff16b7f33546e4848c8247e">&#9670;&nbsp;</a></span>Substring()·<span·class="overload">[1/3]</span></h2>205 <h2·class="memtitle"><span·class="permalink"><a·href="#ab4e603b3dff16b7f33546e4848c8247e">&#9670;&nbsp;</a></span>Substring()·<span·class="overload">[1/3]</span></h2>
  
206 <div·class="memitem">206 <div·class="memitem">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9b1ba56f93d5f2332ce0debc4bc04e32.html">SYSTEM</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">path.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">disulfidBondProcessor.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;BALL/CONFIG/config.h&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;vector&gt;</code><br·/>76 <code>#include·&lt;set&gt;</code><br·/>
78 </div>77 </div>
79 <p><a·href="../../de/daf/a01736_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../de/daf/a01736_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">79 <table·class="memberdecls">
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87 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_46bde4670535f76c6409b9b449574944.html">MINIMIZATION</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">CHPI.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">strangLBFGS.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/dc8/a00242_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d15/a00188_source.html">BALL/MOLMEC/MINIMIZATION/energyMinimizer.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../de/d79/a00203_source.html">BALL/MOLMEC/MINIMIZATION/lineSearch.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d2/dea/a02057_source.html">BALL/QSAR/ringPerceptionProcessor.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d3/d67/a01958_source.html">BALL/QSAR/aromaticityProcessor.h</a>&gt;</code><br·/> 
79 </div>76 </div>
80 <p><a·href="../../de/db1/a00197_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../de/db1/a00197_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls">78 <table·class="memberdecls">
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/db1/a06238.html">BALL::CHPI::Option</a></td></tr> 
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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96 Namespaces</h2></td></tr>89 Namespaces</h2></td></tr>
97 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d0/df7/a20389_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d2/d21/a01484_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;BALL/VIEW/UIC/ui_gridVisualizationDialog.h&gt;</code><br·/>
77 </div>79 </div>
78 <p><a·href="../../de/db5/a01181_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../de/db5/a01181_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">81 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d4f/a08358.html">BALL::VIEW::MeshBuffer</a></td></tr>84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dbe/a07622.html">BALL::VIEW::GridVisualizationDialog</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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86 Namespaces</h2></td></tr>88 Namespaces</h2></td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
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71 ··<div·class="headertitle"><div·class="title">BALL::EnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d74/a02137.html">Energy·evaluation·(non-MM)</a>·&raquo;·<a·class="el"·href="../../d0/d13/a02139.html">Miscellaneous</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::EnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d74/a02137.html">Energy·evaluation·(non-MM)</a>·&raquo;·<a·class="el"·href="../../d0/d13/a02139.html">Miscellaneous</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/ENERGY/energyProcessor.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/ENERGY/energyProcessor.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
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77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../de/db6/a03826.png"·usemap="#BALL::EnergyProcessor_map"·alt=""/>79 ··<img·src="../../de/db6/a03826.png"·usemap="#BALL::EnergyProcessor_map"·alt=""/>
80 ··<map·id="BALL::EnergyProcessor_map"·name="BALL::EnergyProcessor_map">80 ··<map·id="BALL::EnergyProcessor_map"·name="BALL::EnergyProcessor_map">
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153 </table>153 </table>
154 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>154 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
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72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::ModelFactory&lt;·T·&gt;·Class·Template·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::ModelFactory&lt;·T·&gt;·Class·Template·Reference</div></div>
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75 <p><code>#include·&lt;<a·class="el"·href="../../d8/de7/a02030_source.html">BALL/QSAR/modelFactory.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d1/d0b/a00452_source.html">BALL/QSAR/modelFactory.h</a>&gt;</code></p>
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78 Static·Public·Member·Functions</h2></td></tr>78 Static·Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:afb62cba86c1f7fdd78d472bb9fd84d0e"><td·class="memItemLeft"·align="right"·valign="top">static·T·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db9/a05778.html#afb62cba86c1f7fdd78d472bb9fd84d0e">create</a>·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·&amp;q)</td></tr>79 <tr·class="memitem:afb62cba86c1f7fdd78d472bb9fd84d0e"><td·class="memItemLeft"·align="right"·valign="top">static·T·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db9/a05778.html#afb62cba86c1f7fdd78d472bb9fd84d0e">create</a>·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·&amp;q)</td></tr>
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81 <tr·class="memitem:a5734373ca041785b968e5a4b13e59137"><td·class="memItemLeft"·align="right"·valign="top">static·T·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db9/a05778.html#a5734373ca041785b968e5a4b13e59137">createKernel1</a>·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·&amp;q,·int·k,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·p1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·p2)</td></tr>81 <tr·class="memitem:a5734373ca041785b968e5a4b13e59137"><td·class="memItemLeft"·align="right"·valign="top">static·T·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db9/a05778.html#a5734373ca041785b968e5a4b13e59137">createKernel1</a>·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·&amp;q,·int·k,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·p1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·p2)</td></tr>
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83 <tr·class="memitem:ad3477fd44d7589c150991a155f087cb6"><td·class="memItemLeft"·align="right"·valign="top">static·T·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db9/a05778.html#ad3477fd44d7589c150991a155f087cb6">createKernel2</a>·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·&amp;q,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·s1,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·s2)</td></tr>83 <tr·class="memitem:ad3477fd44d7589c150991a155f087cb6"><td·class="memItemLeft"·align="right"·valign="top">static·T·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db9/a05778.html#ad3477fd44d7589c150991a155f087cb6">createKernel2</a>·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·&amp;q,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·s1,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·s2)</td></tr>
84 <tr·class="separator:ad3477fd44d7589c150991a155f087cb6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:ad3477fd44d7589c150991a155f087cb6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T&gt;<br·/>87 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T&gt;<br·/>
88 class·BALL::QSAR::ModelFactory&lt;·T·&gt;</div><p·><a·class="el"·href="../../d4/d1b/a03282.html">Factory</a>·class.·The·factory·class·is·used·to·create·objects·of·the·various·regression·/·classification·Models·it·was·parameterized·with.·</p>88 class·BALL::QSAR::ModelFactory&lt;·T·&gt;</div><p·><a·class="el"·href="../../d4/d1b/a03282.html">Factory</a>·class.·The·factory·class·is·used·to·create·objects·of·the·various·regression·/·classification·Models·it·was·parameterized·with.·</p>
  
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90 </div><h2·class="groupheader">Member·Function·Documentation</h2>90 </div><h2·class="groupheader">Member·Function·Documentation</h2>
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115 ··</tr>115 ··</tr>
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174 <h2·class="memtitle"><span·class="permalink"><a·href="#ad3477fd44d7589c150991a155f087cb6">&#9670;&nbsp;</a></span>createKernel2()</h2>174 <h2·class="memtitle"><span·class="permalink"><a·href="#ad3477fd44d7589c150991a155f087cb6">&#9670;&nbsp;</a></span>createKernel2()</h2>
  
175 <div·class="memitem">175 <div·class="memitem">
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">pairExpRDFIntegrator.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">SASFace.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d66/a01721_source.html">BALL/STRUCTURE/graphFace.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d8/d13/a00671_source.html">BALL/STRUCTURE/RDFIntegrator.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;BALL/STRUCTURE/piecewiseFunction.h&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a00293_source.html">BALL/MATHS/sphere3.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;list&gt;</code><br·/>
78 </div>77 </div>
79 <p><a·href="../../de/dc3/a01787_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../de/dc3/a01787_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">79 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>81 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d07/a06530.html">BALL::PairExpRDFIntegrator</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d57/a07134.html">BALL::SASFace</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d8f/a06534.html">BALL::PairExpRDFIntegrator::Option</a></td></tr> 
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">84 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
91 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 89 </table><table·class="memberdecls">
 90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 91 Functions</h2></td></tr>
 92 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>
 93 <tr·class="memitem:ga4320370cebdb42c1fe8bf7c338de6fd2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga4320370cebdb42c1fe8bf7c338de6fd2">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·SASFace·&amp;sasface)</td></tr>
 94 <tr·class="separator:ga4320370cebdb42c1fe8bf7c338de6fd2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>95 </table>
95 </div><!--·contents·-->96 </div><!--·contents·-->
96 <!--·start·footer·part·-->97 <!--·start·footer·part·-->
97 <hr·class="footer"/><address·class="footer"><small>98 <hr·class="footer"/><address·class="footer"><small>
98 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.499 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../df/dc2/a07879.html">List·of·all·members</a>··</div>72 <a·href="../../df/dc2/a07879.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShowHelpMessage·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShowHelpMessage·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d0/d39/a01112_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::ShowHelpMessage:</div>78 Inheritance·diagram·for·BALL::VIEW::ShowHelpMessage:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../de/dc5/a07882.png"·usemap="#BALL::VIEW::ShowHelpMessage_map"·alt=""/>81 ··<img·src="../../de/dc5/a07882.png"·usemap="#BALL::VIEW::ShowHelpMessage_map"·alt=""/>
82 ··<map·id="BALL::VIEW::ShowHelpMessage_map"·name="BALL::VIEW::ShowHelpMessage_map">82 ··<map·id="BALL::VIEW::ShowHelpMessage_map"·name="BALL::VIEW::ShowHelpMessage_map">
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125 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>125 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
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127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00782">782</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00782">782</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
128 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>128 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
129 <a·id="a698190684969a57ca420fd371ac93d13"·name="a698190684969a57ca420fd371ac93d13"></a>129 <a·id="a698190684969a57ca420fd371ac93d13"·name="a698190684969a57ca420fd371ac93d13"></a>
130 <h2·class="memtitle"><span·class="permalink"><a·href="#a698190684969a57ca420fd371ac93d13">&#9670;&nbsp;</a></span>ShowHelpMessage()</h2>130 <h2·class="memtitle"><span·class="permalink"><a·href="#a698190684969a57ca420fd371ac93d13">&#9670;&nbsp;</a></span>ShowHelpMessage()</h2>
  
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188 </div>188 </div>
189 </div>189 </div>
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191 <h2·class="memtitle"><span·class="permalink"><a·href="#aa41e3fb3a434289e3c44f6a61e92e4b8">&#9670;&nbsp;</a></span>getProject()</h2>191 <h2·class="memtitle"><span·class="permalink"><a·href="#aa41e3fb3a434289e3c44f6a61e92e4b8">&#9670;&nbsp;</a></span>getProject()</h2>
  
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209 ··<td·class="mlabels-right">209 ··<td·class="mlabels-right">
210 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>210 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
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214 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00792">792</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">message.h</a>.</p>214 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00792">792</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
215 </div>215 </div>
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218 <h2·class="memtitle"><span·class="permalink"><a·href="#a1129823392629931e2d083b4a279dc97">&#9670;&nbsp;</a></span>getURL()</h2>218 <h2·class="memtitle"><span·class="permalink"><a·href="#a1129823392629931e2d083b4a279dc97">&#9670;&nbsp;</a></span>getURL()</h2>
  
219 <div·class="memitem">219 <div·class="memitem">
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235 ··</td>235 ··</td>
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237 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>237 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
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260 ··</td>260 ··</td>
261 ··<td·class="mlabels-right">261 ··<td·class="mlabels-right">
262 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>262 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
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268 </div>268 </div>
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284 ··</td>284 ··</td>
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286 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>286 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
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61 </div>61 </div>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_3df5a5ad7754ea960e604448eda1468f.html">DATATYPE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_0f44562fa0092558829ef2f34049a706.html">MODELS</a></li>··</ul>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">colorUnitHue.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">HBondModel.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d51/a01520_source.html">BALL/VIEW/MODELS/atomBondModelBaseProcessor.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/MATHS/common.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d0/deb/a01508_source.html">BALL/VIEW/DATATYPE/colorUnit.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;iostream&gt;</code><br·/> 
79 <code>#include·&lt;cstdio&gt;</code><br·/> 
80 <code>#include·&lt;BALL/VIEW/DATATYPE/colorUnitHue.iC&gt;</code><br·/> 
81 </div>75 </div>
82 <p><a·href="../../de/dc6/a01502_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../de/dc6/a01502_source.html">Go·to·the·source·code·of·this·file.</a></p>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="../../d1/d05/a08479.html">List·of·all·members</a>··</div>72 <a·href="../../d1/d05/a08479.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PropDeleteWidget·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PropDeleteWidget·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d7/def/a01538_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::PropDeleteWidget:</div>78 Inheritance·diagram·for·BALL::VIEW::PropDeleteWidget:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
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82 ··<map·id="BALL::VIEW::PropDeleteWidget_map"·name="BALL::VIEW::PropDeleteWidget_map">82 ··<map·id="BALL::VIEW::PropDeleteWidget_map"·name="BALL::VIEW::PropDeleteWidget_map">
83 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,187,80"/>83 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,187,80"/>
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139 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>139 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>
140 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p·>A·simple·Widget·for·arbitrary·properties·that·just·allows·deleting·them.·</p>143 <div·class="textblock"><p·>A·simple·Widget·for·arbitrary·properties·that·just·allows·deleting·them.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00223">223</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">propertyEditor.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00223">223</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="ade5fc3a0a0a11e808cf051bfb4702b93"·name="ade5fc3a0a0a11e808cf051bfb4702b93"></a>146 <a·id="ade5fc3a0a0a11e808cf051bfb4702b93"·name="ade5fc3a0a0a11e808cf051bfb4702b93"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#ade5fc3a0a0a11e808cf051bfb4702b93">&#9670;&nbsp;</a></span>PropDeleteWidget()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#ade5fc3a0a0a11e808cf051bfb4702b93">&#9670;&nbsp;</a></span>PropDeleteWidget()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
150 <table·class="mlabels">150 <table·class="mlabels">
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174 ··</td>174 ··</td>
175 ··<td·class="mlabels-right">175 ··<td·class="mlabels-right">
176 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>176 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
177 ··</tr>177 ··</tr>
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179 </div><div·class="memdoc">179 </div><div·class="memdoc">
  
180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00226">226</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">propertyEditor.h</a>.</p>180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00226">226</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
  
181 </div>181 </div>
182 </div>182 </div>
183 <h2·class="groupheader">Member·Function·Documentation</h2>183 <h2·class="groupheader">Member·Function·Documentation</h2>
184 <a·id="ad9456397cd093f60f8cbaee2767e61ab"·name="ad9456397cd093f60f8cbaee2767e61ab"></a>184 <a·id="ad9456397cd093f60f8cbaee2767e61ab"·name="ad9456397cd093f60f8cbaee2767e61ab"></a>
185 <h2·class="memtitle"><span·class="permalink"><a·href="#ad9456397cd093f60f8cbaee2767e61ab">&#9670;&nbsp;</a></span>apply_()</h2>185 <h2·class="memtitle"><span·class="permalink"><a·href="#ad9456397cd093f60f8cbaee2767e61ab">&#9670;&nbsp;</a></span>apply_()</h2>
  
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206 ··</tr>206 ··</tr>
207 </table>207 </table>
208 </div><div·class="memdoc">208 </div><div·class="memdoc">
209 <p·>This·function·must·be·reimplemented·by·subclasses.·It·writes·the·value·of·the·widget·to·man·</p>209 <p·>This·function·must·be·reimplemented·by·subclasses.·It·writes·the·value·of·the·widget·to·man·</p>
  
210 <p>Implements·<a·class="el"·href="../../d1/d8b/a08454.html#a9f3341154aeabadfc27e24410d0164d7">BALL::VIEW::PropEditorWidget</a>.</p>210 <p>Implements·<a·class="el"·href="../../d1/d8b/a08454.html#a9f3341154aeabadfc27e24410d0164d7">BALL::VIEW::PropEditorWidget</a>.</p>
  
211 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00237">237</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">propertyEditor.h</a>.</p>211 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00237">237</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
  
212 </div>212 </div>
213 </div>213 </div>
214 <a·id="ab7a77d2fa1544855c350c21208a4437f"·name="ab7a77d2fa1544855c350c21208a4437f"></a>214 <a·id="ab7a77d2fa1544855c350c21208a4437f"·name="ab7a77d2fa1544855c350c21208a4437f"></a>
215 <h2·class="memtitle"><span·class="permalink"><a·href="#ab7a77d2fa1544855c350c21208a4437f">&#9670;&nbsp;</a></span>clone()</h2>215 <h2·class="memtitle"><span·class="permalink"><a·href="#ab7a77d2fa1544855c350c21208a4437f">&#9670;&nbsp;</a></span>clone()</h2>
  
216 <div·class="memitem">216 <div·class="memitem">
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247 ··</tr>247 ··</tr>
248 </table>248 </table>
249 </div><div·class="memdoc">249 </div><div·class="memdoc">
250 <p·>Create·a·copy·of·the·widget·with·a·different·name,·but·with·the·same·property·type.·This·method·must·be·reimplemented·by·subclasses·</p>250 <p·>Create·a·copy·of·the·widget·with·a·different·name,·but·with·the·same·property·type.·This·method·must·be·reimplemented·by·subclasses·</p>
  
251 <p>Implements·<a·class="el"·href="../../d1/d8b/a08454.html#a0a44d6cd148fad4a14e72ea0150ed722">BALL::VIEW::PropEditorWidget</a>.</p>251 <p>Implements·<a·class="el"·href="../../d1/d8b/a08454.html#a0a44d6cd148fad4a14e72ea0150ed722">BALL::VIEW::PropEditorWidget</a>.</p>
  
252 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00232">232</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">propertyEditor.h</a>.</p>252 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00232">232</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
  
253 </div>253 </div>
254 </div>254 </div>
255 <a·id="aa10c1723af6f31bceb5c70fed849f315"·name="aa10c1723af6f31bceb5c70fed849f315"></a>255 <a·id="aa10c1723af6f31bceb5c70fed849f315"·name="aa10c1723af6f31bceb5c70fed849f315"></a>
256 <h2·class="memtitle"><span·class="permalink"><a·href="#aa10c1723af6f31bceb5c70fed849f315">&#9670;&nbsp;</a></span>reset_()</h2>256 <h2·class="memtitle"><span·class="permalink"><a·href="#aa10c1723af6f31bceb5c70fed849f315">&#9670;&nbsp;</a></span>reset_()</h2>
  
257 <div·class="memitem">257 <div·class="memitem">
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278 ··</tr>278 ··</tr>
279 </table>279 </table>
280 </div><div·class="memdoc">280 </div><div·class="memdoc">
281 <p·>This·function·must·be·reimplemented·by·subclasses.·It·rereads·the·widgets·values·from·prop·</p>281 <p·>This·function·must·be·reimplemented·by·subclasses.·It·rereads·the·widgets·values·from·prop·</p>
  
282 <p>Implements·<a·class="el"·href="../../d1/d8b/a08454.html#a05faba8e0949e0cab7486bfc96bed00d">BALL::VIEW::PropEditorWidget</a>.</p>282 <p>Implements·<a·class="el"·href="../../d1/d8b/a08454.html#a05faba8e0949e0cab7486bfc96bed00d">BALL::VIEW::PropEditorWidget</a>.</p>
  
283 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00238">238</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">propertyEditor.h</a>.</p>283 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00238">238</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
  
284 </div>284 </div>
285 </div>285 </div>
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287 <!--·start·footer·part·-->287 <!--·start·footer·part·-->
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289 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4289 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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71 <a·href="../../dc/d4a/a05587.html">List·of·all·members</a>··</div>71 <a·href="../../dc/d4a/a05587.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PyServer·Class·Reference<span·class="mlabels"><span·class="mlabel">final</span></span></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PyServer·Class·Reference<span·class="mlabels"><span·class="mlabel">final</span></span></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../de/d76/a00134_source.html">BALL/PYTHON/pyServer.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dd/d4e/a00329_source.html">BALL/PYTHON/pyServer.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
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78 Public·Member·Functions</h2></td></tr>78 Public·Member·Functions</h2></td></tr>
79 <tr·class="memitem:aba95b2a8a81e74e951ba33b55b2c1f60"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd0/a05590.html#aba95b2a8a81e74e951ba33b55b2c1f60">PyServer</a>·()</td></tr>79 <tr·class="memitem:aba95b2a8a81e74e951ba33b55b2c1f60"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd0/a05590.html#aba95b2a8a81e74e951ba33b55b2c1f60">PyServer</a>·()</td></tr>
80 <tr·class="separator:aba95b2a8a81e74e951ba33b55b2c1f60"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:aba95b2a8a81e74e951ba33b55b2c1f60"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:adce830dbd525b61188682a91c59b85d3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd0/a05590.html#adce830dbd525b61188682a91c59b85d3">~PyServer</a>·()=default</td></tr>81 <tr·class="memitem:adce830dbd525b61188682a91c59b85d3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd0/a05590.html#adce830dbd525b61188682a91c59b85d3">~PyServer</a>·()=default</td></tr>
82 <tr·class="separator:adce830dbd525b61188682a91c59b85d3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:adce830dbd525b61188682a91c59b85d3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a1c9ed1d058ddd57a0af3b892777288ee"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd0/a05590.html#a1c9ed1d058ddd57a0af3b892777288ee">processRequest</a>·()</td></tr>83 <tr·class="memitem:a1c9ed1d058ddd57a0af3b892777288ee"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd0/a05590.html#a1c9ed1d058ddd57a0af3b892777288ee">processRequest</a>·()</td></tr>
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85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock">87 <div·class="textblock">
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d76/a00134_source.html#l00012">12</a>·of·file·<a·class="el"·href="../../de/d76/a00134_source.html">pyServer.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d4e/a00329_source.html#l00012">12</a>·of·file·<a·class="el"·href="../../dd/d4e/a00329_source.html">pyServer.h</a>.</p>
89 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>89 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
90 <a·id="aba95b2a8a81e74e951ba33b55b2c1f60"·name="aba95b2a8a81e74e951ba33b55b2c1f60"></a>90 <a·id="aba95b2a8a81e74e951ba33b55b2c1f60"·name="aba95b2a8a81e74e951ba33b55b2c1f60"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#aba95b2a8a81e74e951ba33b55b2c1f60">&#9670;&nbsp;</a></span>PyServer()</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#aba95b2a8a81e74e951ba33b55b2c1f60">&#9670;&nbsp;</a></span>PyServer()</h2>
  
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71 <a·href="../../d9/d88/a04175.html">List·of·all·members</a>··</div>71 <a·href="../../d9/d88/a04175.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordDBREF::EndingDatabaseSegment·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordDBREF::EndingDatabaseSegment·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
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78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a303669aecd719b32aac0024737c37879"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd1/a04178.html#a303669aecd719b32aac0024737c37879">number</a></td></tr>79 <tr·class="memitem:a303669aecd719b32aac0024737c37879"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd1/a04178.html#a303669aecd719b32aac0024737c37879">number</a></td></tr>
80 <tr·class="separator:a303669aecd719b32aac0024737c37879"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a303669aecd719b32aac0024737c37879"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a4ddcb2f809734e2518d8fd0859d80cdc"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#adbbd7264b79f49a28b6a256d54a803ba">AChar</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd1/a04178.html#a4ddcb2f809734e2518d8fd0859d80cdc">insertion_code</a></td></tr>81 <tr·class="memitem:a4ddcb2f809734e2518d8fd0859d80cdc"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#adbbd7264b79f49a28b6a256d54a803ba">AChar</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd1/a04178.html#a4ddcb2f809734e2518d8fd0859d80cdc">insertion_code</a></td></tr>
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83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock">85 <div·class="textblock">
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00612">612</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00612">612</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="a4ddcb2f809734e2518d8fd0859d80cdc"·name="a4ddcb2f809734e2518d8fd0859d80cdc"></a>88 <a·id="a4ddcb2f809734e2518d8fd0859d80cdc"·name="a4ddcb2f809734e2518d8fd0859d80cdc"></a>
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94 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#adbbd7264b79f49a28b6a256d54a803ba">AChar</a>·BALL::PDB::RecordDBREF::EndingDatabaseSegment::insertion_code</td>94 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#adbbd7264b79f49a28b6a256d54a803ba">AChar</a>·BALL::PDB::RecordDBREF::EndingDatabaseSegment::insertion_code</td>
95 ········</tr>95 ········</tr>
96 ······</table>96 ······</table>
97 </div><div·class="memdoc">97 </div><div·class="memdoc">
  
98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00615">615</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00615">615</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
99 </div>99 </div>
100 </div>100 </div>
101 <a·id="a303669aecd719b32aac0024737c37879"·name="a303669aecd719b32aac0024737c37879"></a>101 <a·id="a303669aecd719b32aac0024737c37879"·name="a303669aecd719b32aac0024737c37879"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#a303669aecd719b32aac0024737c37879">&#9670;&nbsp;</a></span>number</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#a303669aecd719b32aac0024737c37879">&#9670;&nbsp;</a></span>number</h2>
  
103 <div·class="memitem">103 <div·class="memitem">
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112 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordDBREF::EndingDatabaseSegment::number</td>112 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordDBREF::EndingDatabaseSegment::number</td>
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117 </div>117 </div>
118 </div>118 </div>
119 </div><!--·contents·-->119 </div><!--·contents·-->
120 <!--·start·footer·part·-->120 <!--·start·footer·part·-->
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122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../dd/de2/a07615.html">List·of·all·members</a>··</div>70 <a·href="../../dd/de2/a07615.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GeometricFitDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GeometricFitDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d8/d7a/a01292_source.html">BALL/VIEW/DIALOGS/geometricFitDialog.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d1/d34/a01211_source.html">BALL/VIEW/DIALOGS/geometricFitDialog.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::VIEW::GeometricFitDialog:</div>76 Inheritance·diagram·for·BALL::VIEW::GeometricFitDialog:</div>
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78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../de/dd3/a07618.png"·usemap="#BALL::VIEW::GeometricFitDialog_map"·alt=""/>79 ··<img·src="../../de/dd3/a07618.png"·usemap="#BALL::VIEW::GeometricFitDialog_map"·alt=""/>
80 ··<map·id="BALL::VIEW::GeometricFitDialog_map"·name="BALL::VIEW::GeometricFitDialog_map">80 ··<map·id="BALL::VIEW::GeometricFitDialog_map"·name="BALL::VIEW::GeometricFitDialog_map">
81 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,193,24"/>81 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,193,24"/>
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205 </table>205 </table>
206 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>206 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
207 <div·class="textblock"><p·>Dialog·for·options·of·the·docking·algorithm·<a·class="el"·href="../../d1/d9c/a03790.html">GeometricFit</a>.</p>207 <div·class="textblock"><p·>Dialog·for·options·of·the·docking·algorithm·<a·class="el"·href="../../d1/d9c/a03790.html">GeometricFit</a>.</p>
208 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d1/d9c/a03790.html">GeometricFit</a>·</dd></dl>208 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d1/d9c/a03790.html">GeometricFit</a>·</dd></dl>
  
209 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d7a/a01292_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d8/d7a/a01292_source.html">geometricFitDialog.h</a>.</p>209 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d34/a01211_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d1/d34/a01211_source.html">geometricFitDialog.h</a>.</p>
210 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>210 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
211 <a·id="a0d5d5e96308925a48f7830d4fddb9e8e"·name="a0d5d5e96308925a48f7830d4fddb9e8e"></a>211 <a·id="a0d5d5e96308925a48f7830d4fddb9e8e"·name="a0d5d5e96308925a48f7830d4fddb9e8e"></a>
212 <h2·class="memtitle"><span·class="permalink"><a·href="#a0d5d5e96308925a48f7830d4fddb9e8e">&#9670;&nbsp;</a></span>GeometricFitDialog()</h2>212 <h2·class="memtitle"><span·class="permalink"><a·href="#a0d5d5e96308925a48f7830d4fddb9e8e">&#9670;&nbsp;</a></span>GeometricFitDialog()</h2>
  
213 <div·class="memitem">213 <div·class="memitem">
214 <div·class="memproto">214 <div·class="memproto">
215 ······<table·class="memname">215 ······<table·class="memname">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../df/d0c/a03055.html">List·of·all·members</a>··</div>72 <a·href="../../df/d0c/a03055.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::Exception::SizeUnderflow·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::Exception::SizeUnderflow·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::Exception::SizeUnderflow:</div>78 Inheritance·diagram·for·BALL::Exception::SizeUnderflow:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../de/dd9/a03058.png"·usemap="#BALL::Exception::SizeUnderflow_map"·alt=""/>81 ··<img·src="../../de/dd9/a03058.png"·usemap="#BALL::Exception::SizeUnderflow_map"·alt=""/>
82 ··<map·id="BALL::Exception::SizeUnderflow_map"·name="BALL::Exception::SizeUnderflow_map">82 ··<map·id="BALL::Exception::SizeUnderflow_map"·name="BALL::Exception::SizeUnderflow_map">
83 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>83 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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139 <div·class="textblock"><p·>Size·underflow.·Throw·this·exception·to·indicate·a·size·was·smaller·than·allowed.·The·constructor·has·an·additional·argument:·the·value·of·of·the·requested·size.·This·exception·is·thrown,·if·buffer·sizes·are·insufficient.·</p><dl·class="params"><dt>Parameters</dt><dd>139 <div·class="textblock"><p·>Size·underflow.·Throw·this·exception·to·indicate·a·size·was·smaller·than·allowed.·The·constructor·has·an·additional·argument:·the·value·of·of·the·requested·size.·This·exception·is·thrown,·if·buffer·sizes·are·insufficient.·</p><dl·class="params"><dt>Parameters</dt><dd>
140 ··<table·class="params">140 ··<table·class="params">
141 ····<tr><td·class="paramname">size</td><td>the·size·causing·the·problem·</td></tr>141 ····<tr><td·class="paramname">size</td><td>the·size·causing·the·problem·</td></tr>
142 ··</table>142 ··</table>
143 ··</dd>143 ··</dd>
144 </dl>144 </dl>
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00143">143</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00143">143</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
147 <a·id="a302923bb0748c12ff58f743999816717"·name="a302923bb0748c12ff58f743999816717"></a>147 <a·id="a302923bb0748c12ff58f743999816717"·name="a302923bb0748c12ff58f743999816717"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#a302923bb0748c12ff58f743999816717">&#9670;&nbsp;</a></span>SizeUnderflow()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#a302923bb0748c12ff58f743999816717">&#9670;&nbsp;</a></span>SizeUnderflow()</h2>
  
149 <div·class="memitem">149 <div·class="memitem">
150 <div·class="memproto">150 <div·class="memproto">
151 ······<table·class="memname">151 ······<table·class="memname">
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196 ··</td>196 ··</td>
197 ··<td·class="mlabels-right">197 ··<td·class="mlabels-right">
198 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>198 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
199 ··</tr>199 ··</tr>
200 </table>200 </table>
201 </div><div·class="memdoc">201 </div><div·class="memdoc">
  
202 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00151">151</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>202 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00151">151</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
  
203 </div>203 </div>
204 </div>204 </div>
205 </div><!--·contents·-->205 </div><!--·contents·-->
206 <!--·start·footer·part·-->206 <!--·start·footer·part·-->
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../d4/d6b/a05039.html">List·of·all·members</a>··</div>71 <a·href="../../d4/d6b/a05039.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::CharmmTorsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d1e/a02171.html">CHARMM·Force·Field.</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::CharmmTorsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d1e/a02171.html">CHARMM·Force·Field.</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../df/de8/a00839_source.html">BALL/MOLMEC/CHARMM/charmmTorsion.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8c/a00035_source.html">BALL/MOLMEC/CHARMM/charmmTorsion.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::CharmmTorsion:</div>77 Inheritance·diagram·for·BALL::CharmmTorsion:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../de/dda/a05042.png"·usemap="#BALL::CharmmTorsion_map"·alt=""/>80 ··<img·src="../../de/dda/a05042.png"·usemap="#BALL::CharmmTorsion_map"·alt=""/>
81 ··<map·id="BALL::CharmmTorsion_map"·name="BALL::CharmmTorsion_map">81 ··<map·id="BALL::CharmmTorsion_map"·name="BALL::CharmmTorsion_map">
82 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>82 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>
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228 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>228 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
229 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>229 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
230 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>230 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
231 </table>231 </table>
232 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>232 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
233 <div·class="textblock"><p·>CHARMM·torsion·component·</p>233 <div·class="textblock"><p·>CHARMM·torsion·component·</p>
  
234 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/de8/a00839_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../df/de8/a00839_source.html">charmmTorsion.h</a>.</p>234 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8c/a00035_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d4/d8c/a00035_source.html">charmmTorsion.h</a>.</p>
235 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>235 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
236 <a·id="a4c6e037184d38a730927d96e3c1dcc1f"·name="a4c6e037184d38a730927d96e3c1dcc1f"></a>236 <a·id="a4c6e037184d38a730927d96e3c1dcc1f"·name="a4c6e037184d38a730927d96e3c1dcc1f"></a>
237 <h2·class="memtitle"><span·class="permalink"><a·href="#a4c6e037184d38a730927d96e3c1dcc1f">&#9670;&nbsp;</a></span>CharmmTorsion()·<span·class="overload">[1/3]</span></h2>237 <h2·class="memtitle"><span·class="permalink"><a·href="#a4c6e037184d38a730927d96e3c1dcc1f">&#9670;&nbsp;</a></span>CharmmTorsion()·<span·class="overload">[1/3]</span></h2>
  
238 <div·class="memitem">238 <div·class="memitem">
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7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·reconstructFragmentProcessor.h·File·Reference</title>8 <title>BALL:·plugin.doc·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>
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57 <div·id="MSearchResultsWindow">57 <div·id="MSearchResultsWindow">
58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
59 ········name="MSearchResults"·id="MSearchResults">59 ········name="MSearchResults"·id="MSearchResults">
60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath"> 
63 ··<ul> 
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul> 
65 </div> 
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67 <div·class="header">63 <div·class="header">
68 ··<div·class="summary"> 
69 <a·href="#nested-classes">Classes</a>·&#124; 
70 <a·href="#namespaces">Namespaces</a>··</div> 
71 ··<div·class="headertitle"><div·class="title">reconstructFragmentProcessor.h·File·Reference</div></div>64 ··<div·class="headertitle"><div·class="title">plugin.doc·File·Reference</div></div>
72 </div><!--header-->65 </div><!--header-->
73 <div·class="contents">66 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;list&gt;</code><br·/> 
75 <code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../dc/d31/a01892_source.html">BALL/DATATYPE/triple.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d7/d02/a01808_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d8/ddd/a00380_source.html">BALL/KERNEL/fragment.h</a>&gt;</code><br·/> 
79 </div> 
80 <p><a·href="../../de/ddd/a00653_source.html">Go·to·the·source·code·of·this·file.</a></p> 
81 <table·class="memberdecls"> 
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
83 Classes</h2></td></tr> 
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d43/a07042.html">BALL::ReconstructFragmentProcessor</a></td></tr> 
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
86 </table><table·class="memberdecls"> 
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
88 Namespaces</h2></td></tr> 
89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
91 </table> 
92 </div><!--·contents·-->67 </div><!--·contents·-->
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>
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67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">bruker2DFile.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">radiusRuleProcessor.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d87/a00032_source.html">BALL/FORMAT/JCAMPFile.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/MOLMEC/COMMON/ruleProcessor.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../de/da9/a01934_source.html">BALL/DATATYPE/regularData2D.h</a>&gt;</code><br·/> 
76 </div>75 </div>
77 <p><a·href="../../de/de1/a00065_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../de/de1/a00065_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">77 <table·class="memberdecls">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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73 ··<div·class="headertitle"><div·class="title">BALL::LogStreamBuf::LoglineStruct·Struct·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::LogStreamBuf::LoglineStruct·Struct·Reference</div></div>
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75 <div·class="contents">75 <div·class="contents">
  
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121 </div>121 </div>
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132 ··········<td·class="memname">int·BALL::LogStreamBuf::LoglineStruct::level</td>132 ··········<td·class="memname">int·BALL::LogStreamBuf::LoglineStruct::level</td>
133 ········</tr>133 ········</tr>
134 ······</table>134 ······</table>
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136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">logStream.h</a>.</p>136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6f/a00623_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../df/d6f/a00623_source.html">logStream.h</a>.</p>
  
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153 </div>153 </div>
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156 <h2·class="memtitle"><span·class="permalink"><a·href="#af800ad0cfa2ef86469b72dc795033095">&#9670;&nbsp;</a></span>time</h2>156 <h2·class="memtitle"><span·class="permalink"><a·href="#af800ad0cfa2ef86469b72dc795033095">&#9670;&nbsp;</a></span>time</h2>
  
157 <div·class="memitem">157 <div·class="memitem">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d2/da1/a06103.html">List·of·all·members</a>··</div>70 <a·href="../../d2/da1/a06103.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::SVMModel·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::SVMModel·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d4/d2e/a02051_source.html">BALL/QSAR/svmModel.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d9/dd1/a00398_source.html">BALL/QSAR/svmModel.h</a>&gt;</code></p>
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234 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>234 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
235 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>235 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
236 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>236 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
237 </table>237 </table>
238 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>238 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
239 <div·class="textblock"><p·>class·for·support·vector·classification·</p>239 <div·class="textblock"><p·>class·for·support·vector·classification·</p>
  
240 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2e/a02051_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d4/d2e/a02051_source.html">svmModel.h</a>.</p>240 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd1/a00398_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d9/dd1/a00398_source.html">svmModel.h</a>.</p>
241 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>241 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
242 <a·id="a804985d0f97f426772b37f8c1d30fec5"·name="a804985d0f97f426772b37f8c1d30fec5"></a>242 <a·id="a804985d0f97f426772b37f8c1d30fec5"·name="a804985d0f97f426772b37f8c1d30fec5"></a>
243 <h2·class="memtitle"><span·class="permalink"><a·href="#a804985d0f97f426772b37f8c1d30fec5">&#9670;&nbsp;</a></span>SVMModel()</h2>243 <h2·class="memtitle"><span·class="permalink"><a·href="#a804985d0f97f426772b37f8c1d30fec5">&#9670;&nbsp;</a></span>SVMModel()</h2>
  
244 <div·class="memitem">244 <div·class="memitem">
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246 ······<table·class="memname">246 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d2/d28/a07755.html">List·of·all·members</a>··</div>71 <a·href="../../d2/d28/a07755.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::FakeDriver·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::FakeDriver·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d22/a01250_source.html">BALL/VIEW/INPUT/fakeDriver.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dd/d5d/a01325_source.html">BALL/VIEW/INPUT/fakeDriver.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::FakeDriver:</div>77 Inheritance·diagram·for·BALL::VIEW::FakeDriver:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../de/dec/a07758.png"·usemap="#BALL::VIEW::FakeDriver_map"·alt=""/>80 ··<img·src="../../de/dec/a07758.png"·usemap="#BALL::VIEW::FakeDriver_map"·alt=""/>
81 ··<map·id="BALL::VIEW::FakeDriver_map"·name="BALL::VIEW::FakeDriver_map">81 ··<map·id="BALL::VIEW::FakeDriver_map"·name="BALL::VIEW::FakeDriver_map">
82 <area·href="../../dd/d73/a07766.html"·alt="BALL::VIEW::InputDeviceDriver"·shape="rect"·coords="0,0,189,24"/>82 <area·href="../../dd/d73/a07766.html"·alt="BALL::VIEW::InputDeviceDriver"·shape="rect"·coords="0,0,189,24"/>
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121 <tr·class="memitem:af133896f2a3c8e9e6755ef05fbb158e6·inherit·pro_methods_a07766"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d73/a07766.html#af133896f2a3c8e9e6755ef05fbb158e6">emitPositionChange</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·x,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·y,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·z,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q2,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q3,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q4)</td></tr>121 <tr·class="memitem:af133896f2a3c8e9e6755ef05fbb158e6·inherit·pro_methods_a07766"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d73/a07766.html#af133896f2a3c8e9e6755ef05fbb158e6">emitPositionChange</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·x,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·y,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·z,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q2,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q3,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q4)</td></tr>
122 <tr·class="separator:af133896f2a3c8e9e6755ef05fbb158e6·inherit·pro_methods_a07766"><td·class="memSeparator"·colspan="2">&#160;</td></tr>122 <tr·class="separator:af133896f2a3c8e9e6755ef05fbb158e6·inherit·pro_methods_a07766"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
123 <tr·class="memitem:abcea77f61e39d1f3003618e35822bc45·inherit·pro_methods_a07766"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d73/a07766.html#abcea77f61e39d1f3003618e35822bc45">emitHeadChange</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·x,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·y,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·z,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q2,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q3,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q4)</td></tr>123 <tr·class="memitem:abcea77f61e39d1f3003618e35822bc45·inherit·pro_methods_a07766"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d73/a07766.html#abcea77f61e39d1f3003618e35822bc45">emitHeadChange</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·x,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·y,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·z,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q2,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q3,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q4)</td></tr>
124 <tr·class="separator:abcea77f61e39d1f3003618e35822bc45·inherit·pro_methods_a07766"><td·class="memSeparator"·colspan="2">&#160;</td></tr>124 <tr·class="separator:abcea77f61e39d1f3003618e35822bc45·inherit·pro_methods_a07766"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
125 </table>125 </table>
126 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>126 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
127 <div·class="textblock">127 <div·class="textblock">
128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d22/a01250_source.html#l00007">7</a>·of·file·<a·class="el"·href="../../d4/d22/a01250_source.html">fakeDriver.h</a>.</p>128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5d/a01325_source.html#l00007">7</a>·of·file·<a·class="el"·href="../../dd/d5d/a01325_source.html">fakeDriver.h</a>.</p>
129 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>129 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
130 <a·id="a7b532df7f89c5018724e702ce9738745"·name="a7b532df7f89c5018724e702ce9738745"></a>130 <a·id="a7b532df7f89c5018724e702ce9738745"·name="a7b532df7f89c5018724e702ce9738745"></a>
131 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b532df7f89c5018724e702ce9738745">&#9670;&nbsp;</a></span>FakeDriver()</h2>131 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b532df7f89c5018724e702ce9738745">&#9670;&nbsp;</a></span>FakeDriver()</h2>
  
132 <div·class="memitem">132 <div·class="memitem">
133 <div·class="memproto">133 <div·class="memproto">
134 <table·class="mlabels">134 <table·class="mlabels">
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147 ··</td>147 ··</td>
148 ··<td·class="mlabels-right">148 ··<td·class="mlabels-right">
149 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>149 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
150 ··</tr>150 ··</tr>
151 </table>151 </table>
152 </div><div·class="memdoc">152 </div><div·class="memdoc">
  
153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d22/a01250_source.html#l00010">10</a>·of·file·<a·class="el"·href="../../d4/d22/a01250_source.html">fakeDriver.h</a>.</p>153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5d/a01325_source.html#l00010">10</a>·of·file·<a·class="el"·href="../../dd/d5d/a01325_source.html">fakeDriver.h</a>.</p>
  
154 </div>154 </div>
155 </div>155 </div>
156 <h2·class="groupheader">Member·Function·Documentation</h2>156 <h2·class="groupheader">Member·Function·Documentation</h2>
157 <a·id="adbd7d623aa1f76ad863f47e6b7f0259e"·name="adbd7d623aa1f76ad863f47e6b7f0259e"></a>157 <a·id="adbd7d623aa1f76ad863f47e6b7f0259e"·name="adbd7d623aa1f76ad863f47e6b7f0259e"></a>
158 <h2·class="memtitle"><span·class="permalink"><a·href="#adbd7d623aa1f76ad863f47e6b7f0259e">&#9670;&nbsp;</a></span>setEnabled()</h2>158 <h2·class="memtitle"><span·class="permalink"><a·href="#adbd7d623aa1f76ad863f47e6b7f0259e">&#9670;&nbsp;</a></span>setEnabled()</h2>
  
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176 ··</td>176 ··</td>
177 ··<td·class="mlabels-right">177 ··<td·class="mlabels-right">
178 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>178 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
179 ··</tr>179 ··</tr>
180 </table>180 </table>
181 </div><div·class="memdoc">181 </div><div·class="memdoc">
  
182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d22/a01250_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d4/d22/a01250_source.html">fakeDriver.h</a>.</p>182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5d/a01325_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../dd/d5d/a01325_source.html">fakeDriver.h</a>.</p>
  
183 </div>183 </div>
184 </div>184 </div>
185 <a·id="a39034ccd89da9c0c45aab762b48baba4"·name="a39034ccd89da9c0c45aab762b48baba4"></a>185 <a·id="a39034ccd89da9c0c45aab762b48baba4"·name="a39034ccd89da9c0c45aab762b48baba4"></a>
186 <h2·class="memtitle"><span·class="permalink"><a·href="#a39034ccd89da9c0c45aab762b48baba4">&#9670;&nbsp;</a></span>setUp()</h2>186 <h2·class="memtitle"><span·class="permalink"><a·href="#a39034ccd89da9c0c45aab762b48baba4">&#9670;&nbsp;</a></span>setUp()</h2>
  
187 <div·class="memitem">187 <div·class="memitem">
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205 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>205 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
206 ··</tr>206 ··</tr>
207 </table>207 </table>
208 </div><div·class="memdoc">208 </div><div·class="memdoc">
  
209 <p>Implements·<a·class="el"·href="../../dd/d73/a07766.html#a86e9d8d3d9dc12e7f9a7da9f65c84cac">BALL::VIEW::InputDeviceDriver</a>.</p>209 <p>Implements·<a·class="el"·href="../../dd/d73/a07766.html#a86e9d8d3d9dc12e7f9a7da9f65c84cac">BALL::VIEW::InputDeviceDriver</a>.</p>
  
210 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d22/a01250_source.html#l00012">12</a>·of·file·<a·class="el"·href="../../d4/d22/a01250_source.html">fakeDriver.h</a>.</p>210 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5d/a01325_source.html#l00012">12</a>·of·file·<a·class="el"·href="../../dd/d5d/a01325_source.html">fakeDriver.h</a>.</p>
  
211 </div>211 </div>
212 </div>212 </div>
213 <a·id="a9a81f62283430bb48ed4e4c3737931d7"·name="a9a81f62283430bb48ed4e4c3737931d7"></a>213 <a·id="a9a81f62283430bb48ed4e4c3737931d7"·name="a9a81f62283430bb48ed4e4c3737931d7"></a>
214 <h2·class="memtitle"><span·class="permalink"><a·href="#a9a81f62283430bb48ed4e4c3737931d7">&#9670;&nbsp;</a></span>tearDown()</h2>214 <h2·class="memtitle"><span·class="permalink"><a·href="#a9a81f62283430bb48ed4e4c3737931d7">&#9670;&nbsp;</a></span>tearDown()</h2>
  
215 <div·class="memitem">215 <div·class="memitem">
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234 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>234 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
235 ··</tr>235 ··</tr>
236 </table>236 </table>
237 </div><div·class="memdoc">237 </div><div·class="memdoc">
  
238 <p>Implements·<a·class="el"·href="../../dd/d73/a07766.html#a04a8cedc755bb49d2bb28ffa6217fcd7">BALL::VIEW::InputDeviceDriver</a>.</p>238 <p>Implements·<a·class="el"·href="../../dd/d73/a07766.html#a04a8cedc755bb49d2bb28ffa6217fcd7">BALL::VIEW::InputDeviceDriver</a>.</p>
  
239 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d22/a01250_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../d4/d22/a01250_source.html">fakeDriver.h</a>.</p>239 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5d/a01325_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../dd/d5d/a01325_source.html">fakeDriver.h</a>.</p>
  
240 </div>240 </div>
241 </div>241 </div>
242 </div><!--·contents·-->242 </div><!--·contents·-->
243 <!--·start·footer·part·-->243 <!--·start·footer·part·-->
244 <hr·class="footer"/><address·class="footer"><small>244 <hr·class="footer"/><address·class="footer"><small>
245 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4245 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="#pub-types">Public·Types</a>·&#124;71 <a·href="#pub-types">Public·Types</a>·&#124;
72 <a·href="../../d7/d8c/a06311.html">List·of·all·members</a>··</div>72 <a·href="../../d7/d8c/a06311.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::NonpolarSolvation·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::NonpolarSolvation·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/SCORING/COMPONENTS/nonpolarSolvation.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d7/d38/a02054_source.html">BALL/SCORING/COMPONENTS/nonpolarSolvation.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::NonpolarSolvation:</div>78 Inheritance·diagram·for·BALL::NonpolarSolvation:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../de/ded/a06314.png"·usemap="#BALL::NonpolarSolvation_map"·alt=""/>81 ··<img·src="../../de/ded/a06314.png"·usemap="#BALL::NonpolarSolvation_map"·alt=""/>
82 ··<map·id="BALL::NonpolarSolvation_map"·name="BALL::NonpolarSolvation_map">82 ··<map·id="BALL::NonpolarSolvation_map"·name="BALL::NonpolarSolvation_map">
83 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>83 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
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219 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>219 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
220 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>220 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
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222 </table>222 </table>
223 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>223 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
224 <div·class="textblock"><p·>SLICK·nonpolar·solvation·component.·{\bf·Definition:}·\URL{BALL/SORING/COMMON/nonpolarSolvation.h}·</p>224 <div·class="textblock"><p·>SLICK·nonpolar·solvation·component.·{\bf·Definition:}·\URL{BALL/SORING/COMMON/nonpolarSolvation.h}·</p>
  
225 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dc1/a00212_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../dd/dc1/a00212_source.html">nonpolarSolvation.h</a>.</p>225 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d38/a02054_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d7/d38/a02054_source.html">nonpolarSolvation.h</a>.</p>
226 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>226 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
227 <a·id="a6e1005d70e8dfe555708521087feb2ef"·name="a6e1005d70e8dfe555708521087feb2ef"></a>227 <a·id="a6e1005d70e8dfe555708521087feb2ef"·name="a6e1005d70e8dfe555708521087feb2ef"></a>
228 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e1005d70e8dfe555708521087feb2ef">&#9670;&nbsp;</a></span>CalculationMethod</h2>228 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e1005d70e8dfe555708521087feb2ef">&#9670;&nbsp;</a></span>CalculationMethod</h2>
  
229 <div·class="memitem">229 <div·class="memitem">
230 <div·class="memproto">230 <div·class="memproto">
231 ······<table·class="memname">231 ······<table·class="memname">
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240 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a6e1005d70e8dfe555708521087feb2efaef03bb2def465701bd183523c5e1ef2d"·name="a6e1005d70e8dfe555708521087feb2efaef03bb2def465701bd183523c5e1ef2d"></a>CALCULATION__NONE&#160;</td><td·class="fielddoc"></td></tr>240 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a6e1005d70e8dfe555708521087feb2efaef03bb2def465701bd183523c5e1ef2d"·name="a6e1005d70e8dfe555708521087feb2efaef03bb2def465701bd183523c5e1ef2d"></a>CALCULATION__NONE&#160;</td><td·class="fielddoc"></td></tr>
241 <tr><td·class="fieldname"><a·id="a6e1005d70e8dfe555708521087feb2efa26971852134f3a2f96b348291f7fa2a0"·name="a6e1005d70e8dfe555708521087feb2efa26971852134f3a2f96b348291f7fa2a0"></a>CALCULATION__UHLIG&#160;</td><td·class="fielddoc"></td></tr>241 <tr><td·class="fieldname"><a·id="a6e1005d70e8dfe555708521087feb2efa26971852134f3a2f96b348291f7fa2a0"·name="a6e1005d70e8dfe555708521087feb2efa26971852134f3a2f96b348291f7fa2a0"></a>CALCULATION__UHLIG&#160;</td><td·class="fielddoc"></td></tr>
242 <tr><td·class="fieldname"><a·id="a6e1005d70e8dfe555708521087feb2efaa22b002840bad40837223d94f3c85a53"·name="a6e1005d70e8dfe555708521087feb2efaa22b002840bad40837223d94f3c85a53"></a>CALCULATION__PCM&#160;</td><td·class="fielddoc"></td></tr>242 <tr><td·class="fieldname"><a·id="a6e1005d70e8dfe555708521087feb2efaa22b002840bad40837223d94f3c85a53"·name="a6e1005d70e8dfe555708521087feb2efaa22b002840bad40837223d94f3c85a53"></a>CALCULATION__PCM&#160;</td><td·class="fielddoc"></td></tr>
243 <tr><td·class="fieldname"><a·id="a6e1005d70e8dfe555708521087feb2efa6bfb61f5ef7a44e2a6fe6f661d04f966"·name="a6e1005d70e8dfe555708521087feb2efa6bfb61f5ef7a44e2a6fe6f661d04f966"></a>CALCULATION__VDW_SOLVENT&#160;</td><td·class="fielddoc"></td></tr>243 <tr><td·class="fieldname"><a·id="a6e1005d70e8dfe555708521087feb2efa6bfb61f5ef7a44e2a6fe6f661d04f966"·name="a6e1005d70e8dfe555708521087feb2efa6bfb61f5ef7a44e2a6fe6f661d04f966"></a>CALCULATION__VDW_SOLVENT&#160;</td><td·class="fielddoc"></td></tr>
244 <tr><td·class="fieldname"><a·id="a6e1005d70e8dfe555708521087feb2efa78dfbffe44945c37a1f0c144f4acddac"·name="a6e1005d70e8dfe555708521087feb2efa78dfbffe44945c37a1f0c144f4acddac"></a>CALCULATION__VDW_INTERACTION&#160;</td><td·class="fielddoc"></td></tr>244 <tr><td·class="fieldname"><a·id="a6e1005d70e8dfe555708521087feb2efa78dfbffe44945c37a1f0c144f4acddac"·name="a6e1005d70e8dfe555708521087feb2efa78dfbffe44945c37a1f0c144f4acddac"></a>CALCULATION__VDW_INTERACTION&#160;</td><td·class="fielddoc"></td></tr>
245 </table>245 </table>
  
246 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dc1/a00212_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../dd/dc1/a00212_source.html">nonpolarSolvation.h</a>.</p>246 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d38/a02054_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d7/d38/a02054_source.html">nonpolarSolvation.h</a>.</p>
  
247 </div>247 </div>
248 </div>248 </div>
249 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>249 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
250 <a·id="a273cdc1b87abe64d7b7c4b8b3bf4b636"·name="a273cdc1b87abe64d7b7c4b8b3bf4b636"></a>250 <a·id="a273cdc1b87abe64d7b7c4b8b3bf4b636"·name="a273cdc1b87abe64d7b7c4b8b3bf4b636"></a>
251 <h2·class="memtitle"><span·class="permalink"><a·href="#a273cdc1b87abe64d7b7c4b8b3bf4b636">&#9670;&nbsp;</a></span>NonpolarSolvation()·<span·class="overload">[1/3]</span></h2>251 <h2·class="memtitle"><span·class="permalink"><a·href="#a273cdc1b87abe64d7b7c4b8b3bf4b636">&#9670;&nbsp;</a></span>NonpolarSolvation()·<span·class="overload">[1/3]</span></h2>
  
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8 <title>BALL:·VRMLRenderer.h·File·Reference</title>8 <title>BALL:·inputDevPluginHandler.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li><li·class="navelem"><a·class="el"·href="../../dir_63800ef38c29322dc72b2a63f41a2424.html">RENDERERS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_fdd4deb6e7660eceda5e61c32b248f16.html">PLUGIN</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">VRMLRenderer.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">inputDevPluginHandler.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/db6/a01172_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d36/a00650_source.html">BALL/PLUGIN/pluginHandler.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../db/dbe/a01706_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d7/d02/a01808_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/> 
78 </div>75 </div>
79 <p><a·href="../../de/df1/a01151_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../de/df1/a01151_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">77 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>79 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dc4/a08318.html">BALL::VIEW::VRMLRenderer</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da8/a08138.html">BALL::VIEW::InputDevPluginHandler</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table><table·class="memberdecls">82 </table><table·class="memberdecls">
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87 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../df/d9b/a04755.html">List·of·all·members</a>··</div>71 <a·href="../../df/d9b/a04755.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::AxialPredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::AxialPredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::AxialPredicate:</div>77 Inheritance·diagram·for·BALL::AxialPredicate:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../de/df1/a04758.png"·usemap="#BALL::AxialPredicate_map"·alt=""/>80 ··<img·src="../../de/df1/a04758.png"·usemap="#BALL::AxialPredicate_map"·alt=""/>
81 ··<map·id="BALL::AxialPredicate_map"·name="BALL::AxialPredicate_map">81 ··<map·id="BALL::AxialPredicate_map"·name="BALL::AxialPredicate_map">
82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Axial·predicate.·This·predicate·tries·to·tell·whether·a·C1·of·a·sugar·is·in·axial·position.·</p>122 <div·class="textblock"><p·>Axial·predicate.·This·predicate·tries·to·tell·whether·a·C1·of·a·sugar·is·in·axial·position.·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00797">797</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00797">797</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
125 <a·id="a234051bb1bda7b6ec0cae9d54164f355"·name="a234051bb1bda7b6ec0cae9d54164f355"></a>125 <a·id="a234051bb1bda7b6ec0cae9d54164f355"·name="a234051bb1bda7b6ec0cae9d54164f355"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a234051bb1bda7b6ec0cae9d54164f355">&#9670;&nbsp;</a></span>operator()()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a234051bb1bda7b6ec0cae9d54164f355">&#9670;&nbsp;</a></span>operator()()</h2>
  
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_46bde4670535f76c6409b9b449574944.html">MINIMIZATION</a></li>··</ul>
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">lipophilic.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">conjugateGradient.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/dc8/a00242_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d15/a00188_source.html">BALL/MOLMEC/MINIMIZATION/energyMinimizer.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../de/d79/a00203_source.html">BALL/MOLMEC/MINIMIZATION/lineSearch.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d1/da8/a00230_source.html">BALL/SCORING/COMPONENTS/fresnoTypes.h</a>&gt;</code><br·/> 
77 </div>76 </div>
78 <p><a·href="../../de/df3/a00185_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../de/df3/a00185_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">78 <table·class="memberdecls">
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91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d4/d71/a05671.html">List·of·all·members</a>··</div>71 <a·href="../../d4/d71/a05671.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::PropertyError·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::PropertyError·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/d51/a20335_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::QSAR::Exception::PropertyError:</div>77 Inheritance·diagram·for·BALL::QSAR::Exception::PropertyError:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../de/df3/a05674.png"·usemap="#BALL::QSAR::Exception::PropertyError_map"·alt=""/>80 ··<img·src="../../de/df3/a05674.png"·usemap="#BALL::QSAR::Exception::PropertyError_map"·alt=""/>
81 ··<map·id="BALL::QSAR::Exception::PropertyError_map"·name="BALL::QSAR::Exception::PropertyError_map">81 ··<map·id="BALL::QSAR::Exception::PropertyError_map"·name="BALL::QSAR::Exception::PropertyError_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,230,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,230,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·><a·class="el"·href="../../dd/d67/a02230.html">Exception</a>·for·wrong·number·of·properties·or·wrong·format·of·properties·within·structure·input·files·</p>136 <div·class="textblock"><p·><a·class="el"·href="../../dd/d67/a02230.html">Exception</a>·for·wrong·number·of·properties·or·wrong·format·of·properties·within·structure·input·files·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d51/a20335_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../db/d51/a20335_source.html">QSAR/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="a5ac39e0094678466c65987b0b8c3ac42"·name="a5ac39e0094678466c65987b0b8c3ac42"></a>139 <a·id="a5ac39e0094678466c65987b0b8c3ac42"·name="a5ac39e0094678466c65987b0b8c3ac42"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a5ac39e0094678466c65987b0b8c3ac42">&#9670;&nbsp;</a></span>PropertyError()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a5ac39e0094678466c65987b0b8c3ac42">&#9670;&nbsp;</a></span>PropertyError()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../da/d1b/a08499.html">List·of·all·members</a>··</div>71 <a·href="../../da/d1b/a08499.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PythonValidator·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/deb/a02214.html">Modular·Widgets</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PythonValidator·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/deb/a02214.html">Modular·Widgets</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../da/dd5/a01580_source.html">BALL/VIEW/WIDGETS/pyWidget.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/d5b/a01127_source.html">BALL/VIEW/WIDGETS/pyWidget.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::PythonValidator:</div>77 Inheritance·diagram·for·BALL::VIEW::PythonValidator:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../de/df3/a08502.png"·usemap="#BALL::VIEW::PythonValidator_map"·alt=""/>80 ··<img·src="../../de/df3/a08502.png"·usemap="#BALL::VIEW::PythonValidator_map"·alt=""/>
81 ··<map·id="BALL::VIEW::PythonValidator_map"·name="BALL::VIEW::PythonValidator_map">81 ··<map·id="BALL::VIEW::PythonValidator_map"·name="BALL::VIEW::PythonValidator_map">
82 <area·href="../../d8/d2d/a20274.html"·alt="QValidator"·shape="rect"·coords="0,0,176,24"/>82 <area·href="../../d8/d2d/a20274.html"·alt="QValidator"·shape="rect"·coords="0,0,176,24"/>
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92 <tr·class="separator:afabe223ab13d59660d9dfac5c877a23f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:afabe223ab13d59660d9dfac5c877a23f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 <tr·class="memitem:aeb29de3bada20ddf21f42fffd0da74d4"><td·class="memItemLeft"·align="right"·valign="top">virtual·State&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/df3/a08502.html#aeb29de3bada20ddf21f42fffd0da74d4">validate</a>·(QString·&amp;input,·int·&amp;pos)·const</td></tr>93 <tr·class="memitem:aeb29de3bada20ddf21f42fffd0da74d4"><td·class="memItemLeft"·align="right"·valign="top">virtual·State&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/df3/a08502.html#aeb29de3bada20ddf21f42fffd0da74d4">validate</a>·(QString·&amp;input,·int·&amp;pos)·const</td></tr>
94 <tr·class="separator:aeb29de3bada20ddf21f42fffd0da74d4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:aeb29de3bada20ddf21f42fffd0da74d4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table>95 </table>
96 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>96 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
97 <div·class="textblock"><p·>Class·for·validating·(and·potentially·fixing)·entered·python·code.·</p>97 <div·class="textblock"><p·>Class·for·validating·(and·potentially·fixing)·entered·python·code.·</p>
  
98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">pyWidget.h</a>.</p>98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">pyWidget.h</a>.</p>
99 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>99 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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101 <h2·class="memtitle"><span·class="permalink"><a·href="#a94c49cc5d9debe625da2b21f53ee0096">&#9670;&nbsp;</a></span>PythonValidator()</h2>101 <h2·class="memtitle"><span·class="permalink"><a·href="#a94c49cc5d9debe625da2b21f53ee0096">&#9670;&nbsp;</a></span>PythonValidator()</h2>
  
102 <div·class="memitem">102 <div·class="memitem">
103 <div·class="memproto">103 <div·class="memproto">
104 ······<table·class="memname">104 ······<table·class="memname">
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../dc/d81/a06611.html">List·of·all·members</a>··</div>70 <a·href="../../dc/d81/a06611.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::SolventParameter·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::SolventParameter·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d6/d27/a01781_source.html">BALL/SOLVATION/solventParameter.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../de/d90/a01919_source.html">BALL/SOLVATION/solventParameter.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::SolventParameter:</div>76 Inheritance·diagram·for·BALL::SolventParameter:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../de/df4/a06614.png"·usemap="#BALL::SolventParameter_map"·alt=""/>79 ··<img·src="../../de/df4/a06614.png"·usemap="#BALL::SolventParameter_map"·alt=""/>
80 ··<map·id="BALL::SolventParameter_map"·name="BALL::SolventParameter_map">80 ··<map·id="BALL::SolventParameter_map"·name="BALL::SolventParameter_map">
81 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>81 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>
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194 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>194 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>
195 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>195 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
196 </table>196 </table>
197 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>197 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
198 <div·class="textblock"><p·>Parameter·section·for·the·solvent·description.·This·class·provides·parameter·file·interface·for·the·<a·class="el"·href="../../da/dd2/a06610.html">SolventDescriptor</a>·class·(·<a·class="el"·href="../../da/dd2/a06610.html">SolventDescriptor·</a>·).·</p><dl·class="section·user"><dt></dt><dd></dd></dl>198 <div·class="textblock"><p·>Parameter·section·for·the·solvent·description.·This·class·provides·parameter·file·interface·for·the·<a·class="el"·href="../../da/dd2/a06610.html">SolventDescriptor</a>·class·(·<a·class="el"·href="../../da/dd2/a06610.html">SolventDescriptor·</a>·).·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
199 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d27/a01781_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d6/d27/a01781_source.html">solventParameter.h</a>.</p>199 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d90/a01919_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../de/d90/a01919_source.html">solventParameter.h</a>.</p>
200 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>200 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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203 <div·class="memitem">203 <div·class="memitem">
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490 ··</td>490 ··</td>
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493 ··</tr>493 ··</tr>
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497 </div>497 </div>
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514 ··</td>514 ··</td>
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520 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d27/a01781_source.html#l00122">122</a>·of·file·<a·class="el"·href="../../d6/d27/a01781_source.html">solventParameter.h</a>.</p>520 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d90/a01919_source.html#l00122">122</a>·of·file·<a·class="el"·href="../../de/d90/a01919_source.html">solventParameter.h</a>.</p>
  
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524 <h2·class="memtitle"><span·class="permalink"><a·href="#ab15d1b2e8c24ac35f3d5cb7e6d15644c">&#9670;&nbsp;</a></span>number_density_</h2>524 <h2·class="memtitle"><span·class="permalink"><a·href="#ab15d1b2e8c24ac35f3d5cb7e6d15644c">&#9670;&nbsp;</a></span>number_density_</h2>
  
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538 ··</td>538 ··</td>
539 ··<td·class="mlabels-right">539 ··<td·class="mlabels-right">
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541 ··</tr>541 ··</tr>
542 </table>542 </table>
543 </div><div·class="memdoc">543 </div><div·class="memdoc">
  
544 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d27/a01781_source.html#l00126">126</a>·of·file·<a·class="el"·href="../../d6/d27/a01781_source.html">solventParameter.h</a>.</p>544 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d90/a01919_source.html#l00126">126</a>·of·file·<a·class="el"·href="../../de/d90/a01919_source.html">solventParameter.h</a>.</p>
  
545 </div>545 </div>
546 </div>546 </div>
547 <a·id="a22e44f5ae28d31a94818e5b396bd249d"·name="a22e44f5ae28d31a94818e5b396bd249d"></a>547 <a·id="a22e44f5ae28d31a94818e5b396bd249d"·name="a22e44f5ae28d31a94818e5b396bd249d"></a>
548 <h2·class="memtitle"><span·class="permalink"><a·href="#a22e44f5ae28d31a94818e5b396bd249d">&#9670;&nbsp;</a></span>solvent_atoms_</h2>548 <h2·class="memtitle"><span·class="permalink"><a·href="#a22e44f5ae28d31a94818e5b396bd249d">&#9670;&nbsp;</a></span>solvent_atoms_</h2>
  
549 <div·class="memitem">549 <div·class="memitem">
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562 ··</td>562 ··</td>
563 ··<td·class="mlabels-right">563 ··<td·class="mlabels-right">
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565 ··</tr>565 ··</tr>
566 </table>566 </table>
567 </div><div·class="memdoc">567 </div><div·class="memdoc">
  
568 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d27/a01781_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../d6/d27/a01781_source.html">solventParameter.h</a>.</p>568 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d90/a01919_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../de/d90/a01919_source.html">solventParameter.h</a>.</p>
  
569 </div>569 </div>
570 </div>570 </div>
571 <a·id="a7ac35c92233a6b9a024e22057bcffc46"·name="a7ac35c92233a6b9a024e22057bcffc46"></a>571 <a·id="a7ac35c92233a6b9a024e22057bcffc46"·name="a7ac35c92233a6b9a024e22057bcffc46"></a>
572 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ac35c92233a6b9a024e22057bcffc46">&#9670;&nbsp;</a></span>solvent_descriptor_</h2>572 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ac35c92233a6b9a024e22057bcffc46">&#9670;&nbsp;</a></span>solvent_descriptor_</h2>
  
573 <div·class="memitem">573 <div·class="memitem">
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586 ··</td>586 ··</td>
587 ··<td·class="mlabels-right">587 ··<td·class="mlabels-right">
588 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>588 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
589 ··</tr>589 ··</tr>
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8 <title>BALL:·comparator.h·File·Reference</title>8 <title>BALL:·assignBondOrderProcessor.h·File·Reference</title>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">comparator.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">assignBondOrderProcessor.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
 81 <code>#include·&lt;<a·class="el"·href="../../d4/dfa/a00746_source.html">BALL/SYSTEM/timer.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d6/d53/a01688_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignmentStrategy.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d4/d26/a01700_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignment.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d6/d15/a01697_source.html">BALL/STRUCTURE/BONDORDERS/partialBondOrderAssignment.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;map&gt;</code><br·/>
 86 <code>#include·&lt;vector&gt;</code><br·/>
75 </div>87 </div>
76 <p><a·href="../../de/df6/a01670_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../de/df6/a01670_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">89 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>91 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d19/a03242.html">BALL::Comparator&lt;·T·&gt;</a></td></tr>92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/da3/a06634.html">BALL::AssignBondOrderProcessor</a></td></tr>
 93 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Assignment·of·bond·orders·from·topology·information.··<a·href="../../dd/da3/a06634.html#details">More...</a><br·/></td></tr>
 94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dcb/a06638.html">BALL::AssignBondOrderProcessor::Option</a></td></tr>
 96 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d4/dcb/a06638.html"·title="Option·names.">Option</a>·names.··<a·href="../../d4/dcb/a06638.html#details">More...</a><br·/></td></tr>
 97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d61/a06642.html">BALL::AssignBondOrderProcessor::Default</a></td></tr>
 99 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d8/d61/a06642.html"·title="Default·values·for·options.">Default</a>·values·for·options.··<a·href="../../d8/d61/a06642.html#details">More...</a><br·/></td></tr>
 100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 101 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d93/a06646.html">BALL::AssignBondOrderProcessor::Algorithm</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">103 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>104 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
84 Namespaces</h2></td></tr>105 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>106 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d1/def/a03475.html">List·of·all·members</a>··</div>71 <a·href="../../d1/def/a03475.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::GreedyX&lt;·Criterion·&gt;·Class·Template·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::GreedyX&lt;·Criterion·&gt;·Class·Template·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../de/dca/a01907_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::GreedyX&lt;·Criterion·&gt;:</div>77 Inheritance·diagram·for·BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::GreedyX&lt;·Criterion·&gt;:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../de/df7/a03478.png"·usemap="#BALL::TreeWidthImplementation_3C_20UndirectedGraph_20_3E::GreedyX_3C_20Criterion_20_3E_map"·alt=""/>80 ··<img·src="../../de/df7/a03478.png"·usemap="#BALL::TreeWidthImplementation_3C_20UndirectedGraph_20_3E::GreedyX_3C_20Criterion_20_3E_map"·alt=""/>
81 ··<map·id="BALL::TreeWidthImplementation_3C_20UndirectedGraph_20_3E::GreedyX_3C_20Criterion_20_3E_map"·name="BALL::TreeWidthImplementation_3C_20UndirectedGraph_20_3E::GreedyX_3C_20Criterion_20_3E_map">81 ··<map·id="BALL::TreeWidthImplementation_3C_20UndirectedGraph_20_3E::GreedyX_3C_20Criterion_20_3E_map"·name="BALL::TreeWidthImplementation_3C_20UndirectedGraph_20_3E::GreedyX_3C_20Criterion_20_3E_map">
82 <area·href="../../d7/dbe/a03210.html"·alt="BALL::UnaryFunctor&lt;·UndirectedGraph,·std::pair&lt;·std::vector&lt;·boost::graph_traits&lt;·UndirectedGraph::vertex_descriptor·&gt;·&gt;,·Size·&gt;·&gt;"·shape="rect"·coords="0,0,767,24"/>82 <area·href="../../d7/dbe/a03210.html"·alt="BALL::UnaryFunctor&lt;·UndirectedGraph,·std::pair&lt;·std::vector&lt;·boost::graph_traits&lt;·UndirectedGraph::vertex_descriptor·&gt;·&gt;,·Size·&gt;·&gt;"·shape="rect"·coords="0,0,767,24"/>
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118 <dl·class="exception"><dt>Exceptions</dt><dd>118 <dl·class="exception"><dt>Exceptions</dt><dd>
119 ··<table·class="exception">119 ··<table·class="exception">
120 ····<tr><td·class="paramname"><a·class="el"·href="../../d8/d75/a03426.html">BALL::GRAPH::UnconnectedGraphException</a></td><td>if·called·on·unconnected·graphs·</td></tr>120 ····<tr><td·class="paramname"><a·class="el"·href="../../d8/d75/a03426.html">BALL::GRAPH::UnconnectedGraphException</a></td><td>if·called·on·unconnected·graphs·</td></tr>
121 ··</table>121 ··</table>
122 ··</dd>122 ··</dd>
123 </dl>123 </dl>
  
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125 </div><h2·class="groupheader">Member·Function·Documentation</h2>125 </div><h2·class="groupheader">Member·Function·Documentation</h2>
126 <a·id="a51838d3bef0df9d9bca6aef5cf01e7bb"·name="a51838d3bef0df9d9bca6aef5cf01e7bb"></a>126 <a·id="a51838d3bef0df9d9bca6aef5cf01e7bb"·name="a51838d3bef0df9d9bca6aef5cf01e7bb"></a>
127 <h2·class="memtitle"><span·class="permalink"><a·href="#a51838d3bef0df9d9bca6aef5cf01e7bb">&#9670;&nbsp;</a></span>operator()()</h2>127 <h2·class="memtitle"><span·class="permalink"><a·href="#a51838d3bef0df9d9bca6aef5cf01e7bb">&#9670;&nbsp;</a></span>operator()()</h2>
  
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63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#func-members">Functions</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">shiftModel2D.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">regressionModel.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d9d/a00464_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d5e/a00467_source.html">BALL/QSAR/Model.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d5/d5f/a00461_source.html">BALL/NMR/spectrum.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d4/d13/a00377_source.html">BALL/QSAR/regressionValidation.h</a>&gt;</code><br·/>
77 <code>#include·&lt;vector&gt;</code><br·/>76 <code>#include·&lt;fstream&gt;</code><br·/>
78 </div>77 </div>
79 <p><a·href="../../de/df8/a00440_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../de/df8/a00440_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">79 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>81 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d66/a05534.html">BALL::ShiftModel2D</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9e/a05838.html">BALL::QSAR::RegressionModel</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
87 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 89 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>
90 </table><table·class="memberdecls"> 
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
92 Functions</h2></td></tr> 
93 <tr·class="memitem:a54c55c68841e2bbc0ca3a1d7d9a5c623"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a54c55c68841e2bbc0ca3a1d7d9a5c623">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;os,·const·<a·class="el"·href="../../dd/d66/a05534.html">BALL::ShiftModel2D</a>·&amp;shiftmodel)</td></tr> 
94 <tr·class="separator:a54c55c68841e2bbc0ca3a1d7d9a5c623"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table>91 </table>
96 </div><!--·contents·-->92 </div><!--·contents·-->
97 <!--·start·footer·part·-->93 <!--·start·footer·part·-->
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8 <title>BALL:·numericalIntegrator.h·File·Reference</title>8 <title>BALL:·logP.h·File·Reference</title>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">numericalIntegrator.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">logP.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dd6/a01820_source.html">BALL/MATHS/function.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/STRUCTURE/molecularSimilarity.h</a>&gt;</code><br·/>
75 </div>76 </div>
76 <p><a·href="../../de/dfb/a01874_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../de/dfb/a01874_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">78 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>80 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/db9/a04870.html">BALL::NumericalIntegrator&lt;·Function,·DataType·&gt;</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd7/a06974.html">BALL::LogP</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 </table><table·class="memberdecls">83 </table><table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
84 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 </table>88 </table>
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109 </td></tr>109 </td></tr>
110 <tr><td·class="fieldname"><a·id="a968bb1f57af1baec18f4f55ffefec12faec89cfd723ce62ecf9965d20860f1eed"·name="a968bb1f57af1baec18f4f55ffefec12faec89cfd723ce62ecf9965d20860f1eed"></a>BRUTE_FORCE&#160;</td><td·class="fielddoc"><p·>brute·force·all·against·all·</p>110 <tr><td·class="fieldname"><a·id="a968bb1f57af1baec18f4f55ffefec12faec89cfd723ce62ecf9965d20860f1eed"·name="a968bb1f57af1baec18f4f55ffefec12faec89cfd723ce62ecf9965d20860f1eed"></a>BRUTE_FORCE&#160;</td><td·class="fielddoc"><p·>brute·force·all·against·all·</p>
111 </td></tr>111 </td></tr>
112 </table>112 </table>
  
113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dd1/a00914_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../d3/dd1/a00914_source.html">support.h</a>.</p>113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d77/a00095_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../d9/d77/a00095_source.html">support.h</a>.</p>
  
114 </div>114 </div>
115 </div>115 </div>
116 <h2·class="groupheader">Function·Documentation</h2>116 <h2·class="groupheader">Function·Documentation</h2>
117 <a·id="aefa956a5cc8ed6e6db2e00450d9711a5"·name="aefa956a5cc8ed6e6db2e00450d9711a5"></a>117 <a·id="aefa956a5cc8ed6e6db2e00450d9711a5"·name="aefa956a5cc8ed6e6db2e00450d9711a5"></a>
118 <h2·class="memtitle"><span·class="permalink"><a·href="#aefa956a5cc8ed6e6db2e00450d9711a5">&#9670;&nbsp;</a></span>adaptWaterBox()</h2>118 <h2·class="memtitle"><span·class="permalink"><a·href="#aefa956a5cc8ed6e6db2e00450d9711a5">&#9670;&nbsp;</a></span>adaptWaterBox()</h2>
  
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354 ····<tr><td·class="paramname">end</td><td>a·past-the-end·iterator·for·the·atoms·</td></tr>354 ····<tr><td·class="paramname">end</td><td>a·past-the-end·iterator·for·the·atoms·</td></tr>
355 ····<tr><td·class="paramname">torsions</td><td>the·vector·of·torsions·</td></tr>355 ····<tr><td·class="paramname">torsions</td><td>the·vector·of·torsions·</td></tr>
356 ····<tr><td·class="paramname">use_selection</td><td>if·set·to·<b>true</b>,·a·torsion·will·be·added·only·if·all·four·atoms·are·selected·</td></tr>356 ····<tr><td·class="paramname">use_selection</td><td>if·set·to·<b>true</b>,·a·torsion·will·be·added·only·if·all·four·atoms·are·selected·</td></tr>
357 ··</table>357 ··</table>
358 ··</dd>358 ··</dd>
359 </dl>359 </dl>
  
360 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dd1/a00914_source.html#l00153">153</a>·of·file·<a·class="el"·href="../../d3/dd1/a00914_source.html">support.h</a>.</p>360 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d77/a00095_source.html#l00153">153</a>·of·file·<a·class="el"·href="../../d9/d77/a00095_source.html">support.h</a>.</p>
  
361 </div>361 </div>
362 </div>362 </div>
363 <a·id="a7f7bddfa0f262a05fa33b58e57fcd2c3"·name="a7f7bddfa0f262a05fa33b58e57fcd2c3"></a>363 <a·id="a7f7bddfa0f262a05fa33b58e57fcd2c3"·name="a7f7bddfa0f262a05fa33b58e57fcd2c3"></a>
364 <h2·class="memtitle"><span·class="permalink"><a·href="#a7f7bddfa0f262a05fa33b58e57fcd2c3">&#9670;&nbsp;</a></span>sortNonBondedAtomPairsAfterSelection()</h2>364 <h2·class="memtitle"><span·class="permalink"><a·href="#a7f7bddfa0f262a05fa33b58e57fcd2c3">&#9670;&nbsp;</a></span>sortNonBondedAtomPairsAfterSelection()</h2>
  
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71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
73 <a·href="../../db/d9d/a07995.html">List·of·all·members</a>··</div>73 <a·href="../../db/d9d/a07995.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SimulationThread·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SimulationThread·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../dd/d09/a01118_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::VIEW::SimulationThread:</div>79 Inheritance·diagram·for·BALL::VIEW::SimulationThread:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../df/d00/a07998.png"·usemap="#BALL::VIEW::SimulationThread_map"·alt=""/>82 ··<img·src="../../df/d00/a07998.png"·usemap="#BALL::VIEW::SimulationThread_map"·alt=""/>
83 ··<map·id="BALL::VIEW::SimulationThread_map"·name="BALL::VIEW::SimulationThread_map">83 ··<map·id="BALL::VIEW::SimulationThread_map"·name="BALL::VIEW::SimulationThread_map">
84 <area·href="../../dc/da9/a07982.html"·alt="BALL::VIEW::BALLThread"·shape="rect"·coords="115,56,336,80"/>84 <area·href="../../dc/da9/a07982.html"·alt="BALL::VIEW::BALLThread"·shape="rect"·coords="115,56,336,80"/>
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141 <tr·class="separator:a23f01fa958c05ed5a5fe19bf863f9e2e·inherit·pro_attribs_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>141 <tr·class="separator:a23f01fa958c05ed5a5fe19bf863f9e2e·inherit·pro_attribs_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
142 <tr·class="memitem:a2e56131850e90e8177350606f24e58fa·inherit·pro_attribs_a07982"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#a2e56131850e90e8177350606f24e58fa">composite_</a></td></tr>142 <tr·class="memitem:a2e56131850e90e8177350606f24e58fa·inherit·pro_attribs_a07982"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#a2e56131850e90e8177350606f24e58fa">composite_</a></td></tr>
143 <tr·class="separator:a2e56131850e90e8177350606f24e58fa·inherit·pro_attribs_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>143 <tr·class="separator:a2e56131850e90e8177350606f24e58fa·inherit·pro_attribs_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
144 </table>144 </table>
145 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>145 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
146 <div·class="textblock"><p·>Baseclass·for·threads,·which·perform·a·simulation.·At·the·end·of·the·<a·class="el"·href="../../dc/da9/a07982.html#af035dee34596a6edf564fecd995b76be">run()</a>·method,·always·call·<a·class="el"·href="../../df/d00/a07998.html#aec64c2be1cc896f05b2a885ec325b357"·title="Notifies·the·main·thread·to·delete·the·simulating·thread.">finish_()</a>·to·notify·the·main·thread·to·delete·the·simulation·thread,·otherwise·there·will·be·a·memory·leak.·</p>146 <div·class="textblock"><p·>Baseclass·for·threads,·which·perform·a·simulation.·At·the·end·of·the·<a·class="el"·href="../../dc/da9/a07982.html#af035dee34596a6edf564fecd995b76be">run()</a>·method,·always·call·<a·class="el"·href="../../df/d00/a07998.html#aec64c2be1cc896f05b2a885ec325b357"·title="Notifies·the·main·thread·to·delete·the·simulating·thread.">finish_()</a>·to·notify·the·main·thread·to·delete·the·simulation·thread,·otherwise·there·will·be·a·memory·leak.·</p>
  
147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00189">189</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00189">189</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
148 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>148 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
149 <a·id="af627047d94d65101859466a73bfd18ff"·name="af627047d94d65101859466a73bfd18ff"></a>149 <a·id="af627047d94d65101859466a73bfd18ff"·name="af627047d94d65101859466a73bfd18ff"></a>
150 <h2·class="memtitle"><span·class="permalink"><a·href="#af627047d94d65101859466a73bfd18ff">&#9670;&nbsp;</a></span>SimulationThread()</h2>150 <h2·class="memtitle"><span·class="permalink"><a·href="#af627047d94d65101859466a73bfd18ff">&#9670;&nbsp;</a></span>SimulationThread()</h2>
  
151 <div·class="memitem">151 <div·class="memitem">
152 <div·class="memproto">152 <div·class="memproto">
153 ······<table·class="memname">153 ······<table·class="memname">
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238 ··</td>238 ··</td>
239 ··<td·class="mlabels-right">239 ··<td·class="mlabels-right">
240 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>240 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
241 ··</tr>241 ··</tr>
242 </table>242 </table>
243 </div><div·class="memdoc">243 </div><div·class="memdoc">
  
244 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00205">205</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>244 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00205">205</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
245 </div>245 </div>
246 </div>246 </div>
247 <a·id="a4928e7d4064cbcda7951ee2dbffe1cb5"·name="a4928e7d4064cbcda7951ee2dbffe1cb5"></a>247 <a·id="a4928e7d4064cbcda7951ee2dbffe1cb5"·name="a4928e7d4064cbcda7951ee2dbffe1cb5"></a>
248 <h2·class="memtitle"><span·class="permalink"><a·href="#a4928e7d4064cbcda7951ee2dbffe1cb5">&#9670;&nbsp;</a></span>setNumberOfStepsBetweenUpdates()</h2>248 <h2·class="memtitle"><span·class="permalink"><a·href="#a4928e7d4064cbcda7951ee2dbffe1cb5">&#9670;&nbsp;</a></span>setNumberOfStepsBetweenUpdates()</h2>
  
249 <div·class="memitem">249 <div·class="memitem">
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266 ··</td>266 ··</td>
267 ··<td·class="mlabels-right">267 ··<td·class="mlabels-right">
268 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>268 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
269 ··</tr>269 ··</tr>
270 </table>270 </table>
271 </div><div·class="memdoc">271 </div><div·class="memdoc">
  
272 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00198">198</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>272 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00198">198</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
273 </div>273 </div>
274 </div>274 </div>
275 <a·id="abb9a3164f586f2336722367131c7a633"·name="abb9a3164f586f2336722367131c7a633"></a>275 <a·id="abb9a3164f586f2336722367131c7a633"·name="abb9a3164f586f2336722367131c7a633"></a>
276 <h2·class="memtitle"><span·class="permalink"><a·href="#abb9a3164f586f2336722367131c7a633">&#9670;&nbsp;</a></span>setTrajectoryFile()</h2>276 <h2·class="memtitle"><span·class="permalink"><a·href="#abb9a3164f586f2336722367131c7a633">&#9670;&nbsp;</a></span>setTrajectoryFile()</h2>
  
277 <div·class="memitem">277 <div·class="memitem">
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294 ··</td>294 ··</td>
295 ··<td·class="mlabels-right">295 ··<td·class="mlabels-right">
296 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>296 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
297 ··</tr>297 ··</tr>
298 </table>298 </table>
299 </div><div·class="memdoc">299 </div><div·class="memdoc">
  
300 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00202">202</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>300 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00202">202</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
301 </div>301 </div>
302 </div>302 </div>
303 <h2·class="groupheader">Member·Data·Documentation</h2>303 <h2·class="groupheader">Member·Data·Documentation</h2>
304 <a·id="a1c9e22c065f1e4ac4b5ca2c1812b410b"·name="a1c9e22c065f1e4ac4b5ca2c1812b410b"></a>304 <a·id="a1c9e22c065f1e4ac4b5ca2c1812b410b"·name="a1c9e22c065f1e4ac4b5ca2c1812b410b"></a>
305 <h2·class="memtitle"><span·class="permalink"><a·href="#a1c9e22c065f1e4ac4b5ca2c1812b410b">&#9670;&nbsp;</a></span>steps_between_updates_</h2>305 <h2·class="memtitle"><span·class="permalink"><a·href="#a1c9e22c065f1e4ac4b5ca2c1812b410b">&#9670;&nbsp;</a></span>steps_between_updates_</h2>
  
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319 ··</td>319 ··</td>
320 ··<td·class="mlabels-right">320 ··<td·class="mlabels-right">
321 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>321 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
322 ··</tr>322 ··</tr>
323 </table>323 </table>
324 </div><div·class="memdoc">324 </div><div·class="memdoc">
  
325 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00215">215</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">threads.h</a>.</p>325 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00215">215</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
326 </div>326 </div>
327 </div>327 </div>
328 <a·id="ab1053f1c3edc5bfc268b6ed98a6d2540"·name="ab1053f1c3edc5bfc268b6ed98a6d2540"></a>328 <a·id="ab1053f1c3edc5bfc268b6ed98a6d2540"·name="ab1053f1c3edc5bfc268b6ed98a6d2540"></a>
329 <h2·class="memtitle"><span·class="permalink"><a·href="#ab1053f1c3edc5bfc268b6ed98a6d2540">&#9670;&nbsp;</a></span>trajectory_file_</h2>329 <h2·class="memtitle"><span·class="permalink"><a·href="#ab1053f1c3edc5bfc268b6ed98a6d2540">&#9670;&nbsp;</a></span>trajectory_file_</h2>
  
330 <div·class="memitem">330 <div·class="memitem">
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343 ··</td>343 ··</td>
344 ··<td·class="mlabels-right">344 ··<td·class="mlabels-right">
345 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>345 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
346 ··</tr>346 ··</tr>
347 </table>347 </table>
348 </div><div·class="memdoc">348 </div><div·class="memdoc">
  
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350 </div>350 </div>
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353 <!--·start·footer·part·-->353 <!--·start·footer·part·-->
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61 </div>61 </div>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">commandlineParser.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">gradient.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d4/d8c/a00035_source.html">BALL/FORMAT/paramFile.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
77 <code>#include·&lt;map&gt;</code><br·/> 
78 <code>#include·&lt;set&gt;</code><br·/>76 <code>#include·&lt;vector&gt;</code><br·/>
79 </div>77 </div>
80 <p><a·href="../../df/d03/a00062_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../df/d03/a00062_source.html">Go·to·the·source·code·of·this·file.</a></p>
81 <table·class="memberdecls">79 <table·class="memberdecls">
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84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d34/a03874.html">BALL::CommandlineParser</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/df6/a05082.html">BALL::Gradient</a></td></tr>
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89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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72 ··<div·class="headertitle"><div·class="title">BALL::EmpiricalHSShiftProcessor::Option·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::EmpiricalHSShiftProcessor::Option·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../df/d07/a05474.html"·title="Option·names.">Option</a>·names.··75 <p><a·class="el"·href="../../df/d07/a05474.html"·title="Option·names.">Option</a>·names.··
76 ·<a·href="../../df/d07/a05474.html#details">More...</a></p>76 ·<a·href="../../df/d07/a05474.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d9/d10/a00449_source.html">BALL/NMR/empiricalHSShiftProcessor.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d3/deb/a01619_source.html">BALL/NMR/empiricalHSShiftProcessor.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
80 Static·Public·Attributes</h2></td></tr>80 Static·Public·Attributes</h2></td></tr>
81 <tr·class="memitem:a426df0d23948dde7847555fd0665a353"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d07/a05474.html#a426df0d23948dde7847555fd0665a353">VERBOSITY</a></td></tr>81 <tr·class="memitem:a426df0d23948dde7847555fd0665a353"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d07/a05474.html#a426df0d23948dde7847555fd0665a353">VERBOSITY</a></td></tr>
82 <tr·class="separator:a426df0d23948dde7847555fd0665a353"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a426df0d23948dde7847555fd0665a353"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock"><p·><a·class="el"·href="../../df/d07/a05474.html"·title="Option·names.">Option</a>·names.·</p>85 <div·class="textblock"><p·><a·class="el"·href="../../df/d07/a05474.html"·title="Option·names.">Option</a>·names.·</p>
  
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d10/a00449_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d9/d10/a00449_source.html">empiricalHSShiftProcessor.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/deb/a01619_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d3/deb/a01619_source.html">empiricalHSShiftProcessor.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="a426df0d23948dde7847555fd0665a353"·name="a426df0d23948dde7847555fd0665a353"></a>88 <a·id="a426df0d23948dde7847555fd0665a353"·name="a426df0d23948dde7847555fd0665a353"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#a426df0d23948dde7847555fd0665a353">&#9670;&nbsp;</a></span>VERBOSITY</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#a426df0d23948dde7847555fd0665a353">&#9670;&nbsp;</a></span>VERBOSITY</h2>
  
90 <div·class="memitem">90 <div·class="memitem">
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105 ··<td·class="mlabels-right">105 ··<td·class="mlabels-right">
106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>106 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
107 ··</tr>107 ··</tr>
108 </table>108 </table>
109 </div><div·class="memdoc">109 </div><div·class="memdoc">
110 <p·>verbosity·of·the·processor·</p>110 <p·>verbosity·of·the·processor·</p>
  
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69 ··<div·class="summary">69 ··<div·class="summary">
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72 ··<div·class="headertitle"><div·class="title">BALL::Substring::UnboundSubstring·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Substring::UnboundSubstring·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Substring::UnboundSubstring:</div>77 Inheritance·diagram·for·BALL::Substring::UnboundSubstring:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../df/d0b/a03610.png"·usemap="#BALL::Substring::UnboundSubstring_map"·alt=""/>80 ··<img·src="../../df/d0b/a03610.png"·usemap="#BALL::Substring::UnboundSubstring_map"·alt=""/>
81 ··<map·id="BALL::Substring::UnboundSubstring_map"·name="BALL::Substring::UnboundSubstring_map">81 ··<map·id="BALL::Substring::UnboundSubstring_map"·name="BALL::Substring::UnboundSubstring_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,211,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,211,80"/>
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131 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>131 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·thrown·if·an·unbound·substring·is·accessed.·This·exception·is·thrown·by·most·accessors·and·predicates·of·<a·class="el"·href="../../de/da3/a03606.html">Substring</a>·if·the·substring·is·not·bound·to·a·string.·</p>136 <div·class="textblock"><p·><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·thrown·if·an·unbound·substring·is·accessed.·This·exception·is·thrown·by·most·accessors·and·predicates·of·<a·class="el"·href="../../de/da3/a03606.html">Substring</a>·if·the·substring·is·not·bound·to·a·string.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d99/a01901_source.html#l01401">1401</a>·of·file·<a·class="el"·href="../../d5/d99/a01901_source.html">string.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d56/a00707_source.html#l01401">1401</a>·of·file·<a·class="el"·href="../../d1/d56/a00707_source.html">string.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="a6703f556c9476a15131567d8dd6a9034"·name="a6703f556c9476a15131567d8dd6a9034"></a>139 <a·id="a6703f556c9476a15131567d8dd6a9034"·name="a6703f556c9476a15131567d8dd6a9034"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a6703f556c9476a15131567d8dd6a9034">&#9670;&nbsp;</a></span>UnboundSubstring()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a6703f556c9476a15131567d8dd6a9034">&#9670;&nbsp;</a></span>UnboundSubstring()</h2>
  
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143 ······<table·class="memname">143 ······<table·class="memname">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">cosineTorsion.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">molecularInformation.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d00/a00113_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/dcf/a00845_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d8/db7/a00812_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/> 
76 </div>75 </div>
77 <p><a·href="../../df/d0c/a00788_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../df/d0c/a00788_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">77 <table·class="memberdecls">
79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
85 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/deb/a05366.html">BALL::CosineTorsion::Values</a></td></tr> 
86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/ded/a05374.html">BALL::CosineTorsion::SingleData</a></td></tr> 
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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93 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">quadraticAngleBend.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">visitor.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d00/a00113_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d8/db7/a00812_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/> 
77 </div>75 </div>
78 <p><a·href="../../df/d0e/a00800_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../df/d0e/a00800_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">77 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d53/a05410.html">BALL::QuadraticAngleBend::Values</a></td></tr> 
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d15/a05414.html">BALL::QuadraticAngleBend::Data</a></td></tr> 
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
90 Namespaces</h2></td></tr>84 Namespaces</h2></td></tr>
91 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d3/df0/a05067.html">List·of·all·members</a>··</div>71 <a·href="../../d3/df0/a05067.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::ChargeRuleProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d4/d63/a02173.html">Rule-based·parameter·assignment</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::ChargeRuleProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d4/d63/a02173.html">Rule-based·parameter·assignment</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d3/db2/a00869_source.html">BALL/MOLMEC/COMMON/chargeRuleProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/MOLMEC/COMMON/chargeRuleProcessor.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::ChargeRuleProcessor:</div>77 Inheritance·diagram·for·BALL::ChargeRuleProcessor:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../df/d0f/a05070.png"·usemap="#BALL::ChargeRuleProcessor_map"·alt=""/>80 ··<img·src="../../df/d0f/a05070.png"·usemap="#BALL::ChargeRuleProcessor_map"·alt=""/>
81 ··<map·id="BALL::ChargeRuleProcessor_map"·name="BALL::ChargeRuleProcessor_map">81 ··<map·id="BALL::ChargeRuleProcessor_map"·name="BALL::ChargeRuleProcessor_map">
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158 <tr·class="separator:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>158 <tr·class="separator:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
159 </table>159 </table>
160 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>160 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
161 <div·class="textblock"><p·>Charge·Rule·<a·class="el"·href="../../de/d93/a03330.html">Processor</a>.·</p>161 <div·class="textblock"><p·>Charge·Rule·<a·class="el"·href="../../de/d93/a03330.html">Processor</a>.·</p>
  
162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/db2/a00869_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d3/db2/a00869_source.html">chargeRuleProcessor.h</a>.</p>162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc2/a00104_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d0/dc2/a00104_source.html">chargeRuleProcessor.h</a>.</p>
163 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>163 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
164 <a·id="adf79c776cf46686bedceed0ff3fd110a"·name="adf79c776cf46686bedceed0ff3fd110a"></a>164 <a·id="adf79c776cf46686bedceed0ff3fd110a"·name="adf79c776cf46686bedceed0ff3fd110a"></a>
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166 <div·class="memitem">166 <div·class="memitem">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d8/da2/a06031.html">List·of·all·members</a>··</div>70 <a·href="../../d8/da2/a06031.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::SNBModel·Class·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">BALL::QSAR::SNBModel·Class·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d4/dec/a01952_source.html">BALL/QSAR/snBModel.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../dd/db5/a00365_source.html">BALL/QSAR/snBModel.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::QSAR::SNBModel:</div>76 Inheritance·diagram·for·BALL::QSAR::SNBModel:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../df/d0f/a06034.png"·usemap="#BALL::QSAR::SNBModel_map"·alt=""/>79 ··<img·src="../../df/d0f/a06034.png"·usemap="#BALL::QSAR::SNBModel_map"·alt=""/>
80 ··<map·id="BALL::QSAR::SNBModel_map"·name="BALL::QSAR::SNBModel_map">80 ··<map·id="BALL::QSAR::SNBModel_map"·name="BALL::QSAR::SNBModel_map">
81 <area·href="../../dc/d69/a05614.html"·alt="BALL::QSAR::BayesModel"·shape="rect"·coords="0,112,200,136"/>81 <area·href="../../dc/d69/a05614.html"·alt="BALL::QSAR::BayesModel"·shape="rect"·coords="0,112,200,136"/>
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256 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>256 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
257 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>257 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
258 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>258 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
259 </table>259 </table>
260 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>260 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
261 <div·class="textblock"><p·>class·for·simple·naive·Bayes·</p>261 <div·class="textblock"><p·>class·for·simple·naive·Bayes·</p>
  
262 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dec/a01952_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d4/dec/a01952_source.html">snBModel.h</a>.</p>262 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/db5/a00365_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../dd/db5/a00365_source.html">snBModel.h</a>.</p>
263 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>263 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
264 <a·id="acd2a1f4010d2db729d8e337c77ccb688"·name="acd2a1f4010d2db729d8e337c77ccb688"></a>264 <a·id="acd2a1f4010d2db729d8e337c77ccb688"·name="acd2a1f4010d2db729d8e337c77ccb688"></a>
265 <h2·class="memtitle"><span·class="permalink"><a·href="#acd2a1f4010d2db729d8e337c77ccb688">&#9670;&nbsp;</a></span>SNBModel()</h2>265 <h2·class="memtitle"><span·class="permalink"><a·href="#acd2a1f4010d2db729d8e337c77ccb688">&#9670;&nbsp;</a></span>SNBModel()</h2>
  
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_52a4bffbb942fe992d286b640b8d4d08.html">XRAY</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li><li·class="navelem"><a·class="el"·href="../../dir_6ac6220cac5eaca96612654e61f12e3a.html">BONDORDERS</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">crystalInfo.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">branchAndBoundBondOrderStrategy.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/da1/a01613_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d53/a01688_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignmentStrategy.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d5/dae/a00767_source.html">BALL/STRUCTURE/geometricTransformations.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../d4/d49/a01643_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d4/d26/a01700_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignment.h</a>&gt;</code><br·/>
80 <code>#include·&lt;string&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../de/d96/a01685_source.html">BALL/STRUCTURE/BONDORDERS/KGreedyBondOrderStrategy.h</a>&gt;</code><br·/>
81 </div>77 </div>
82 <p><a·href="../../df/d12/a01703_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../df/d12/a01703_source.html">Go·to·the·source·code·of·this·file.</a></p>
83 <table·class="memberdecls">79 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
85 Classes</h2></td></tr>81 Classes</h2></td></tr>
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dfe/a08586.html">BALL::CrystalInfo</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d9f/a06730.html">BALL::BranchAndBoundBondOrderStrategy</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d80/a08590.html">BALL::CrystalInfo::Option</a></td></tr>84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d17/a06734.html">BALL::BranchAndBoundBondOrderStrategy::Option</a></td></tr>
 85 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d9/d17/a06734.html"·title="Option·names.">Option</a>·names.··<a·href="../../d9/d17/a06734.html#details">More...</a><br·/></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dc2/a08594.html">BALL::CrystalInfo::Default</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d54/a06738.html">BALL::BranchAndBoundBondOrderStrategy::Default</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
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94 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="../../d6/d4c/a06195.html">List·of·all·members</a>··</div>72 <a·href="../../d6/d4c/a06195.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::AromaticRingStacking·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::AromaticRingStacking·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../dd/d52/a00221_source.html">BALL/SCORING/COMPONENTS/aromaticRingStacking.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../de/d9d/a02072_source.html">BALL/SCORING/COMPONENTS/aromaticRingStacking.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::AromaticRingStacking:</div>78 Inheritance·diagram·for·BALL::AromaticRingStacking:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../df/d12/a06198.png"·usemap="#BALL::AromaticRingStacking_map"·alt=""/>81 ··<img·src="../../df/d12/a06198.png"·usemap="#BALL::AromaticRingStacking_map"·alt=""/>
82 ··<map·id="BALL::AromaticRingStacking_map"·name="BALL::AromaticRingStacking_map">82 ··<map·id="BALL::AromaticRingStacking_map"·name="BALL::AromaticRingStacking_map">
83 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,172,24"/>83 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,172,24"/>
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197 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>197 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>
198 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>198 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
199 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>199 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
200 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>200 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
201 </table>201 </table>
202 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>202 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
203 <div·class="textblock">203 <div·class="textblock">
204 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d52/a00221_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../dd/d52/a00221_source.html">aromaticRingStacking.h</a>.</p>204 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d9d/a02072_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../de/d9d/a02072_source.html">aromaticRingStacking.h</a>.</p>
205 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>205 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
206 <a·id="ac3fe05012b5203166b8e4cfc0e7bebd3"·name="ac3fe05012b5203166b8e4cfc0e7bebd3"></a>206 <a·id="ac3fe05012b5203166b8e4cfc0e7bebd3"·name="ac3fe05012b5203166b8e4cfc0e7bebd3"></a>
207 <h2·class="memtitle"><span·class="permalink"><a·href="#ac3fe05012b5203166b8e4cfc0e7bebd3">&#9670;&nbsp;</a></span>AromaticRingStacking()·<span·class="overload">[1/3]</span></h2>207 <h2·class="memtitle"><span·class="permalink"><a·href="#ac3fe05012b5203166b8e4cfc0e7bebd3">&#9670;&nbsp;</a></span>AromaticRingStacking()·<span·class="overload">[1/3]</span></h2>
  
208 <div·class="memitem">208 <div·class="memitem">
209 <div·class="memproto">209 <div·class="memproto">
210 ······<table·class="memname">210 ······<table·class="memname">
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../d7/dda/a04947.html">List·of·all·members</a>··</div>71 <a·href="../../d7/dda/a04947.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::AmberTorsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d86/a02170.html">AMBER·Force·Field.</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::AmberTorsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d86/a02170.html">AMBER·Force·Field.</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d54/a00938_source.html">BALL/MOLMEC/AMBER/amberTorsion.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d3/d52/a00023_source.html">BALL/MOLMEC/AMBER/amberTorsion.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::AmberTorsion:</div>77 Inheritance·diagram·for·BALL::AmberTorsion:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
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232 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>232 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
233 <div·class="textblock"><p·>Amber·bond·stretch·component·</p>233 <div·class="textblock"><p·>Amber·bond·stretch·component·</p>
  
234 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d54/a00938_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d5/d54/a00938_source.html">amberTorsion.h</a>.</p>234 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d52/a00023_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d3/d52/a00023_source.html">amberTorsion.h</a>.</p>
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64 ··<div·class="headertitle"><div·class="title">solvation.doc·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">smartsParser.h·File·Reference</div></div>
65 </div><!--header-->72 </div><!--header-->
66 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;map&gt;</code><br·/>
 76 <code>#include·&lt;set&gt;</code><br·/>
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 78 <p><a·href="../../df/d21/a01778_source.html">Go·to·the·source·code·of·this·file.</a></p>
 79 <table·class="memberdecls">
 80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
 81 Classes</h2></td></tr>
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 85 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·representation·of·the·smarts·parser.··<a·href="../../d5/d05/a07222.html#details">More...</a><br·/></td></tr>
 86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dd4/a07226.html">BALL::SmartsParser::SPAtom</a></td></tr>
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 89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">union·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/da4/a07230.html">BALL::SmartsParser::SPAtom::PropertyValue</a></td></tr>
 91 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">possible·types·of·the·properties··<a·href="../../d2/da4/a07230.html#details">More...</a><br·/></td></tr>
 92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d8c/a07234.html">BALL::SmartsParser::SPAtom::Property</a></td></tr>
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 98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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72 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;72 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
73 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;73 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
74 <a·href="../../d9/dba/a05287.html">List·of·all·members</a>··</div>74 <a·href="../../d9/dba/a05287.html">List·of·all·members</a>··</div>
75 ··<div·class="headertitle"><div·class="title">BALL::MMFF94PlaneParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>75 ··<div·class="headertitle"><div·class="title">BALL::MMFF94PlaneParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>
76 </div><!--header-->76 </div><!--header-->
77 <div·class="contents">77 <div·class="contents">
  
78 <p><code>#include·&lt;<a·class="el"·href="../../df/d88/a00962_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>78 <p><code>#include·&lt;<a·class="el"·href="../../df/dc8/a00122_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>
79 <div·class="dynheader">79 <div·class="dynheader">
80 Inheritance·diagram·for·BALL::MMFF94PlaneParameters:</div>80 Inheritance·diagram·for·BALL::MMFF94PlaneParameters:</div>
81 <div·class="dyncontent">81 <div·class="dyncontent">
82 ·<div·class="center">82 ·<div·class="center">
83 ··<img·src="../../df/d26/a05290.png"·usemap="#BALL::MMFF94PlaneParameters_map"·alt=""/>83 ··<img·src="../../df/d26/a05290.png"·usemap="#BALL::MMFF94PlaneParameters_map"·alt=""/>
84 ··<map·id="BALL::MMFF94PlaneParameters_map"·name="BALL::MMFF94PlaneParameters_map">84 ··<map·id="BALL::MMFF94PlaneParameters_map"·name="BALL::MMFF94PlaneParameters_map">
85 <area·href="../../d8/de7/a05250.html"·alt="BALL::MMFF94ParametersBase"·shape="rect"·coords="0,0,197,24"/>85 <area·href="../../d8/de7/a05250.html"·alt="BALL::MMFF94ParametersBase"·shape="rect"·coords="0,0,197,24"/>
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152 <tr·class="separator:a84d92d3f781cbfdb13dfc7d7e6746a31·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>152 <tr·class="separator:a84d92d3f781cbfdb13dfc7d7e6746a31·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
153 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>153 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>
154 <tr·class="separator:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>154 <tr·class="separator:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
155 </table>155 </table>
156 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>156 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
157 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·out·of·plane·bending·(see·MMFFOOR.PAR)·</p>157 <div·class="textblock"><p·><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·out·of·plane·bending·(see·MMFFOOR.PAR)·</p>
  
158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00414">414</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00414">414</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
159 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>159 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
160 <a·id="ade3577ed03c4f39229dd368dd4bc3fdc"·name="ade3577ed03c4f39229dd368dd4bc3fdc"></a>160 <a·id="ade3577ed03c4f39229dd368dd4bc3fdc"·name="ade3577ed03c4f39229dd368dd4bc3fdc"></a>
161 <h2·class="memtitle"><span·class="permalink"><a·href="#ade3577ed03c4f39229dd368dd4bc3fdc">&#9670;&nbsp;</a></span>PlaneMap</h2>161 <h2·class="memtitle"><span·class="permalink"><a·href="#ade3577ed03c4f39229dd368dd4bc3fdc">&#9670;&nbsp;</a></span>PlaneMap</h2>
  
162 <div·class="memitem">162 <div·class="memitem">
163 <div·class="memproto">163 <div·class="memproto">
164 ······<table·class="memname">164 ······<table·class="memname">
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168 ··········<td·class="memname">typedef·<a·class="el"·href="../../d0/de9/a03530.html">HashMap</a>&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·<a·class="el"·href="../../df/d26/a05290.html#ade3577ed03c4f39229dd368dd4bc3fdc">BALL::MMFF94PlaneParameters::PlaneMap</a></td>168 ··········<td·class="memname">typedef·<a·class="el"·href="../../d0/de9/a03530.html">HashMap</a>&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·<a·class="el"·href="../../df/d26/a05290.html#ade3577ed03c4f39229dd368dd4bc3fdc">BALL::MMFF94PlaneParameters::PlaneMap</a></td>
169 ········</tr>169 ········</tr>
170 ······</table>170 ······</table>
171 </div><div·class="memdoc">171 </div><div·class="memdoc">
  
172 <p>Map·with·the·force·constant.·</p>172 <p>Map·with·the·force·constant.·</p>
  
173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00420">420</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00420">420</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
174 </div>174 </div>
175 </div>175 </div>
176 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>176 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
177 <a·id="abfdc2404012a36497f86945b56738ee5"·name="abfdc2404012a36497f86945b56738ee5"></a>177 <a·id="abfdc2404012a36497f86945b56738ee5"·name="abfdc2404012a36497f86945b56738ee5"></a>
178 <h2·class="memtitle"><span·class="permalink"><a·href="#abfdc2404012a36497f86945b56738ee5">&#9670;&nbsp;</a></span>MMFF94PlaneParameters()</h2>178 <h2·class="memtitle"><span·class="permalink"><a·href="#abfdc2404012a36497f86945b56738ee5">&#9670;&nbsp;</a></span>MMFF94PlaneParameters()</h2>
  
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412 ··</td>412 ··</td>
413 ··<td·class="mlabels-right">413 ··<td·class="mlabels-right">
414 <span·class="mlabels"><span·class="mlabel">mutable</span><span·class="mlabel">protected</span></span>··</td>414 <span·class="mlabels"><span·class="mlabel">mutable</span><span·class="mlabel">protected</span></span>··</td>
415 ··</tr>415 ··</tr>
416 </table>416 </table>
417 </div><div·class="memdoc">417 </div><div·class="memdoc">
  
418 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00449">449</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>418 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00449">449</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
419 </div>419 </div>
420 </div>420 </div>
421 <a·id="afb5a8603f1904d121732df49c3410486"·name="afb5a8603f1904d121732df49c3410486"></a>421 <a·id="afb5a8603f1904d121732df49c3410486"·name="afb5a8603f1904d121732df49c3410486"></a>
422 <h2·class="memtitle"><span·class="permalink"><a·href="#afb5a8603f1904d121732df49c3410486">&#9670;&nbsp;</a></span>parameters_</h2>422 <h2·class="memtitle"><span·class="permalink"><a·href="#afb5a8603f1904d121732df49c3410486">&#9670;&nbsp;</a></span>parameters_</h2>
  
423 <div·class="memitem">423 <div·class="memitem">
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438 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>438 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
439 ··</tr>439 ··</tr>
440 </table>440 </table>
441 </div><div·class="memdoc">441 </div><div·class="memdoc">
  
442 <p>parameters·</p>442 <p>parameters·</p>
  
443 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00448">448</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">MMFF94Parameters.h</a>.</p>443 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00448">448</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
444 </div>444 </div>
445 </div>445 </div>
446 </div><!--·contents·-->446 </div><!--·contents·-->
447 <!--·start·footer·part·-->447 <!--·start·footer·part·-->
448 <hr·class="footer"/><address·class="footer"><small>448 <hr·class="footer"/><address·class="footer"><small>
449 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4449 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="../../de/d08/a08475.html">List·of·all·members</a>··</div>72 <a·href="../../de/d08/a08475.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::StringEditorWidget·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::StringEditorWidget·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d7/def/a01538_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::StringEditorWidget:</div>78 Inheritance·diagram·for·BALL::VIEW::StringEditorWidget:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../df/d29/a08478.png"·usemap="#BALL::VIEW::StringEditorWidget_map"·alt=""/>81 ··<img·src="../../df/d29/a08478.png"·usemap="#BALL::VIEW::StringEditorWidget_map"·alt=""/>
82 ··<map·id="BALL::VIEW::StringEditorWidget_map"·name="BALL::VIEW::StringEditorWidget_map">82 ··<map·id="BALL::VIEW::StringEditorWidget_map"·name="BALL::VIEW::StringEditorWidget_map">
83 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,190,80"/>83 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,190,80"/>
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137 <tr·class="memitem:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a46403e234f863163cb9af4c8641d036b">name_</a></td></tr>137 <tr·class="memitem:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a46403e234f863163cb9af4c8641d036b">name_</a></td></tr>
138 <tr·class="separator:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>139 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>
140 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock">143 <div·class="textblock">
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00204">204</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">propertyEditor.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00204">204</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="a555358fdd8ca882bae451f23ca40d4bd"·name="a555358fdd8ca882bae451f23ca40d4bd"></a>146 <a·id="a555358fdd8ca882bae451f23ca40d4bd"·name="a555358fdd8ca882bae451f23ca40d4bd"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a555358fdd8ca882bae451f23ca40d4bd">&#9670;&nbsp;</a></span>StringEditorWidget()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a555358fdd8ca882bae451f23ca40d4bd">&#9670;&nbsp;</a></span>StringEditorWidget()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
150 ······<table·class="memname">150 ······<table·class="memname">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../d2/dec/a08139.html">List·of·all·members</a>··</div>72 <a·href="../../d2/dec/a08139.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ModularWidgetPlugin·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ModularWidgetPlugin·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../dd/dad/a01235_source.html">BALL/VIEW/PLUGIN/modularWidgetPlugin.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d9/d65/a01145_source.html">BALL/VIEW/PLUGIN/modularWidgetPlugin.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:a80d5e2eaf16eb4b66703c826a90cefe8"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d2d/a08142.html#a80d5e2eaf16eb4b66703c826a90cefe8">~ModularWidgetPlugin</a>·()</td></tr>80 <tr·class="memitem:a80d5e2eaf16eb4b66703c826a90cefe8"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d2d/a08142.html#a80d5e2eaf16eb4b66703c826a90cefe8">~ModularWidgetPlugin</a>·()</td></tr>
81 <tr·class="separator:a80d5e2eaf16eb4b66703c826a90cefe8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:a80d5e2eaf16eb4b66703c826a90cefe8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:a97a198c4dd8eb5349609f044281ee473"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d2d/a08142.html#a97a198c4dd8eb5349609f044281ee473">setMainControl</a>·(<a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>·*main_control)</td></tr>82 <tr·class="memitem:a97a198c4dd8eb5349609f044281ee473"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d2d/a08142.html#a97a198c4dd8eb5349609f044281ee473">setMainControl</a>·(<a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>·*main_control)</td></tr>
83 <tr·class="separator:a97a198c4dd8eb5349609f044281ee473"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:a97a198c4dd8eb5349609f044281ee473"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pro-attribs"·name="pro-attribs"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pro-attribs"·name="pro-attribs"></a>
87 Protected·Attributes</h2></td></tr>87 Protected·Attributes</h2></td></tr>
88 <tr·class="memitem:a6680d9bd30e1f348b8c974b8c395cb18"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d2d/a08142.html#a6680d9bd30e1f348b8c974b8c395cb18">main_control_</a></td></tr>88 <tr·class="memitem:a6680d9bd30e1f348b8c974b8c395cb18"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d2d/a08142.html#a6680d9bd30e1f348b8c974b8c395cb18">main_control_</a></td></tr>
89 <tr·class="separator:a6680d9bd30e1f348b8c974b8c395cb18"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a6680d9bd30e1f348b8c974b8c395cb18"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock">92 <div·class="textblock">
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dad/a01235_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../dd/dad/a01235_source.html">modularWidgetPlugin.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d65/a01145_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d9/d65/a01145_source.html">modularWidgetPlugin.h</a>.</p>
94 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>94 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
95 <a·id="a80d5e2eaf16eb4b66703c826a90cefe8"·name="a80d5e2eaf16eb4b66703c826a90cefe8"></a>95 <a·id="a80d5e2eaf16eb4b66703c826a90cefe8"·name="a80d5e2eaf16eb4b66703c826a90cefe8"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a80d5e2eaf16eb4b66703c826a90cefe8">&#9670;&nbsp;</a></span>~ModularWidgetPlugin()</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a80d5e2eaf16eb4b66703c826a90cefe8">&#9670;&nbsp;</a></span>~ModularWidgetPlugin()</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 <table·class="mlabels">99 <table·class="mlabels">
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111 ··</td>111 ··</td>
112 ··<td·class="mlabels-right">112 ··<td·class="mlabels-right">
113 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>113 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
114 ··</tr>114 ··</tr>
115 </table>115 </table>
116 </div><div·class="memdoc">116 </div><div·class="memdoc">
  
117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dad/a01235_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../dd/dad/a01235_source.html">modularWidgetPlugin.h</a>.</p>117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d65/a01145_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d9/d65/a01145_source.html">modularWidgetPlugin.h</a>.</p>
  
118 </div>118 </div>
119 </div>119 </div>
120 <h2·class="groupheader">Member·Function·Documentation</h2>120 <h2·class="groupheader">Member·Function·Documentation</h2>
121 <a·id="a97a198c4dd8eb5349609f044281ee473"·name="a97a198c4dd8eb5349609f044281ee473"></a>121 <a·id="a97a198c4dd8eb5349609f044281ee473"·name="a97a198c4dd8eb5349609f044281ee473"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#a97a198c4dd8eb5349609f044281ee473">&#9670;&nbsp;</a></span>setMainControl()</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#a97a198c4dd8eb5349609f044281ee473">&#9670;&nbsp;</a></span>setMainControl()</h2>
  
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148 <dl·class="params"><dt>Parameters</dt><dd>148 <dl·class="params"><dt>Parameters</dt><dd>
149 ··<table·class="params">149 ··<table·class="params">
150 ····<tr><td·class="paramname">main_control</td><td>Main·control·repsonsible·for·the·widget·</td></tr>150 ····<tr><td·class="paramname">main_control</td><td>Main·control·repsonsible·for·the·widget·</td></tr>
151 ··</table>151 ··</table>
152 ··</dd>152 ··</dd>
153 </dl>153 </dl>
  
154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dad/a01235_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../dd/dad/a01235_source.html">modularWidgetPlugin.h</a>.</p>154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d65/a01145_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d9/d65/a01145_source.html">modularWidgetPlugin.h</a>.</p>
  
155 </div>155 </div>
156 </div>156 </div>
157 <h2·class="groupheader">Member·Data·Documentation</h2>157 <h2·class="groupheader">Member·Data·Documentation</h2>
158 <a·id="a6680d9bd30e1f348b8c974b8c395cb18"·name="a6680d9bd30e1f348b8c974b8c395cb18"></a>158 <a·id="a6680d9bd30e1f348b8c974b8c395cb18"·name="a6680d9bd30e1f348b8c974b8c395cb18"></a>
159 <h2·class="memtitle"><span·class="permalink"><a·href="#a6680d9bd30e1f348b8c974b8c395cb18">&#9670;&nbsp;</a></span>main_control_</h2>159 <h2·class="memtitle"><span·class="permalink"><a·href="#a6680d9bd30e1f348b8c974b8c395cb18">&#9670;&nbsp;</a></span>main_control_</h2>
  
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173 ··</td>173 ··</td>
174 ··<td·class="mlabels-right">174 ··<td·class="mlabels-right">
175 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>175 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
176 ··</tr>176 ··</tr>
177 </table>177 </table>
178 </div><div·class="memdoc">178 </div><div·class="memdoc">
  
179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dad/a01235_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../dd/dad/a01235_source.html">modularWidgetPlugin.h</a>.</p>179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d65/a01145_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d9/d65/a01145_source.html">modularWidgetPlugin.h</a>.</p>
  
180 </div>180 </div>
181 </div>181 </div>
182 </div><!--·contents·-->182 </div><!--·contents·-->
183 <!--·start·footer·part·-->183 <!--·start·footer·part·-->
184 <hr·class="footer"/><address·class="footer"><small>184 <hr·class="footer"/><address·class="footer"><small>
185 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4185 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../da/dbb/a03291.html">List·of·all·members</a>··</div>70 <a·href="../../da/dbb/a03291.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::MolecularInformation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::MolecularInformation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../d7/d29/a01589_source.html">BALL/CONCEPT/molecularInformation.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../df/d0c/a00788_source.html">BALL/CONCEPT/molecularInformation.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::MolecularInformation:</div>76 Inheritance·diagram·for·BALL::MolecularInformation:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../df/d2e/a03294.png"·usemap="#BALL::MolecularInformation_map"·alt=""/>79 ··<img·src="../../df/d2e/a03294.png"·usemap="#BALL::MolecularInformation_map"·alt=""/>
80 ··<map·id="BALL::MolecularInformation_map"·name="BALL::MolecularInformation_map">80 ··<map·id="BALL::MolecularInformation_map"·name="BALL::MolecularInformation_map">
81 <area·href="../../de/d83/a03382.html"·alt="BALL::Visitor&lt;·Composite·&gt;"·shape="rect"·coords="0,0,168,24"/>81 <area·href="../../de/d83/a03382.html"·alt="BALL::Visitor&lt;·Composite·&gt;"·shape="rect"·coords="0,0,168,24"/>
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131 <tr·class="separator:ad970d655a2a00fbce61884aea6db0bb6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>131 <tr·class="separator:ad970d655a2a00fbce61884aea6db0bb6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
132 <tr·class="memitem:a0b4d66889286194a1fec8032114b4b31"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d2e/a03294.html#a0b4d66889286194a1fec8032114b4b31">visit</a>·(<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&amp;composite)</td></tr>132 <tr·class="memitem:a0b4d66889286194a1fec8032114b4b31"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d2e/a03294.html#a0b4d66889286194a1fec8032114b4b31">visit</a>·(<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&amp;composite)</td></tr>
133 <tr·class="separator:a0b4d66889286194a1fec8032114b4b31"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a0b4d66889286194a1fec8032114b4b31"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·><a·class="el"·href="../../df/d2e/a03294.html">MolecularInformation</a>·class.·This·class·is·used·by·the·class·MolecularControl·to·retrieve·names·and·types·of·the·displayed·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·</p>136 <div·class="textblock"><p·><a·class="el"·href="../../df/d2e/a03294.html">MolecularInformation</a>·class.·This·class·is·used·by·the·class·MolecularControl·to·retrieve·names·and·types·of·the·displayed·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d29/a01589_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d7/d29/a01589_source.html">molecularInformation.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0c/a00788_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../df/d0c/a00788_source.html">molecularInformation.h</a>.</p>
138 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>138 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
139 <a·id="af40ba266f020b912cc86ea07230230f4"·name="af40ba266f020b912cc86ea07230230f4"></a>139 <a·id="af40ba266f020b912cc86ea07230230f4"·name="af40ba266f020b912cc86ea07230230f4"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#af40ba266f020b912cc86ea07230230f4">&#9670;&nbsp;</a></span>Type</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#af40ba266f020b912cc86ea07230230f4">&#9670;&nbsp;</a></span>Type</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
142 <div·class="memproto">142 <div·class="memproto">
143 ······<table·class="memname">143 ······<table·class="memname">
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168 </td></tr>168 </td></tr>
169 <tr><td·class="fieldname"><a·id="af40ba266f020b912cc86ea07230230f4af048922835228296c05a44b89a10f062"·name="af40ba266f020b912cc86ea07230230f4af048922835228296c05a44b89a10f062"></a>TYPE__ATOM&#160;</td><td·class="fielddoc"><p·><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·type.·</p>169 <tr><td·class="fieldname"><a·id="af40ba266f020b912cc86ea07230230f4af048922835228296c05a44b89a10f062"·name="af40ba266f020b912cc86ea07230230f4af048922835228296c05a44b89a10f062"></a>TYPE__ATOM&#160;</td><td·class="fielddoc"><p·><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·type.·</p>
170 </td></tr>170 </td></tr>
171 <tr><td·class="fieldname"><a·id="af40ba266f020b912cc86ea07230230f4a4eafd83aef440c38016ec575325337eb"·name="af40ba266f020b912cc86ea07230230f4a4eafd83aef440c38016ec575325337eb"></a>TYPE__BOND&#160;</td><td·class="fielddoc"><p·><a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·type.·</p>171 <tr><td·class="fieldname"><a·id="af40ba266f020b912cc86ea07230230f4a4eafd83aef440c38016ec575325337eb"·name="af40ba266f020b912cc86ea07230230f4a4eafd83aef440c38016ec575325337eb"></a>TYPE__BOND&#160;</td><td·class="fielddoc"><p·><a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·type.·</p>
172 </td></tr>172 </td></tr>
173 </table>173 </table>
  
174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d29/a01589_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d7/d29/a01589_source.html">molecularInformation.h</a>.</p>174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0c/a00788_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../df/d0c/a00788_source.html">molecularInformation.h</a>.</p>
  
175 </div>175 </div>
176 </div>176 </div>
177 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>177 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
178 <a·id="a59edc93b4ab45f3aadfa51bc8cf276fa"·name="a59edc93b4ab45f3aadfa51bc8cf276fa"></a>178 <a·id="a59edc93b4ab45f3aadfa51bc8cf276fa"·name="a59edc93b4ab45f3aadfa51bc8cf276fa"></a>
179 <h2·class="memtitle"><span·class="permalink"><a·href="#a59edc93b4ab45f3aadfa51bc8cf276fa">&#9670;&nbsp;</a></span>MolecularInformation()</h2>179 <h2·class="memtitle"><span·class="permalink"><a·href="#a59edc93b4ab45f3aadfa51bc8cf276fa">&#9670;&nbsp;</a></span>MolecularInformation()</h2>
  
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269 ··</td>269 ··</td>
270 ··<td·class="mlabels-right">270 ··<td·class="mlabels-right">
271 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>271 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
272 ··</tr>272 ··</tr>
273 </table>273 </table>
274 </div><div·class="memdoc">274 </div><div·class="memdoc">
  
275 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d29/a01589_source.html#l00104">104</a>·of·file·<a·class="el"·href="../../d7/d29/a01589_source.html">molecularInformation.h</a>.</p>275 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0c/a00788_source.html#l00104">104</a>·of·file·<a·class="el"·href="../../df/d0c/a00788_source.html">molecularInformation.h</a>.</p>
  
276 </div>276 </div>
277 </div>277 </div>
278 <a·id="a1227543b9f72d266d98fd1989a80c74a"·name="a1227543b9f72d266d98fd1989a80c74a"></a>278 <a·id="a1227543b9f72d266d98fd1989a80c74a"·name="a1227543b9f72d266d98fd1989a80c74a"></a>
279 <h2·class="memtitle"><span·class="permalink"><a·href="#a1227543b9f72d266d98fd1989a80c74a">&#9670;&nbsp;</a></span>getType()</h2>279 <h2·class="memtitle"><span·class="permalink"><a·href="#a1227543b9f72d266d98fd1989a80c74a">&#9670;&nbsp;</a></span>getType()</h2>
  
280 <div·class="memitem">280 <div·class="memitem">
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300 </table>300 </table>
301 </div><div·class="memdoc">301 </div><div·class="memdoc">
302 <p·>Return·the·type·of·the·given·composite.·If·the·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·is·of·any·kind·that·is·defined·by·the·enumeration·Type·this·type·will·be·returned.·</p><dl·class="section·return"><dt>Returns</dt><dd>Type·the·type·of·the·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·</dd></dl>302 <p·>Return·the·type·of·the·given·composite.·If·the·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·is·of·any·kind·that·is·defined·by·the·enumeration·Type·this·type·will·be·returned.·</p><dl·class="section·return"><dt>Returns</dt><dd>Type·the·type·of·the·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·</dd></dl>
303 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../df/d2e/a03294.html#af40ba266f020b912cc86ea07230230f4">Type</a>·</dd>303 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../df/d2e/a03294.html#af40ba266f020b912cc86ea07230230f4">Type</a>·</dd>
304 <dd>304 <dd>
305 <a·class="el"·href="../../df/d2e/a03294.html#a0b4d66889286194a1fec8032114b4b31">visit</a>·</dd></dl>305 <a·class="el"·href="../../df/d2e/a03294.html#a0b4d66889286194a1fec8032114b4b31">visit</a>·</dd></dl>
  
306 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d29/a01589_source.html#l00101">101</a>·of·file·<a·class="el"·href="../../d7/d29/a01589_source.html">molecularInformation.h</a>.</p>306 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0c/a00788_source.html#l00101">101</a>·of·file·<a·class="el"·href="../../df/d0c/a00788_source.html">molecularInformation.h</a>.</p>
  
307 </div>307 </div>
308 </div>308 </div>
309 <a·id="ad970d655a2a00fbce61884aea6db0bb6"·name="ad970d655a2a00fbce61884aea6db0bb6"></a>309 <a·id="ad970d655a2a00fbce61884aea6db0bb6"·name="ad970d655a2a00fbce61884aea6db0bb6"></a>
310 <h2·class="memtitle"><span·class="permalink"><a·href="#ad970d655a2a00fbce61884aea6db0bb6">&#9670;&nbsp;</a></span>getTypeName()</h2>310 <h2·class="memtitle"><span·class="permalink"><a·href="#ad970d655a2a00fbce61884aea6db0bb6">&#9670;&nbsp;</a></span>getTypeName()</h2>
  
311 <div·class="memitem">311 <div·class="memitem">
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327 ··</td>327 ··</td>
328 ··<td·class="mlabels-right">328 ··<td·class="mlabels-right">
329 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>329 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
330 ··</tr>330 ··</tr>
331 </table>331 </table>
332 </div><div·class="memdoc">332 </div><div·class="memdoc">
  
333 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d29/a01589_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../d7/d29/a01589_source.html">molecularInformation.h</a>.</p>333 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0c/a00788_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../df/d0c/a00788_source.html">molecularInformation.h</a>.</p>
  
334 </div>334 </div>
335 </div>335 </div>
336 <a·id="a0b4d66889286194a1fec8032114b4b31"·name="a0b4d66889286194a1fec8032114b4b31"></a>336 <a·id="a0b4d66889286194a1fec8032114b4b31"·name="a0b4d66889286194a1fec8032114b4b31"></a>
337 <h2·class="memtitle"><span·class="permalink"><a·href="#a0b4d66889286194a1fec8032114b4b31">&#9670;&nbsp;</a></span>visit()</h2>337 <h2·class="memtitle"><span·class="permalink"><a·href="#a0b4d66889286194a1fec8032114b4b31">&#9670;&nbsp;</a></span>visit()</h2>
  
338 <div·class="memitem">338 <div·class="memitem">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="../../da/db4/a07575.html">List·of·all·members</a>··</div>71 <a·href="../../da/db4/a07575.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockResultDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockResultDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d2/d1d/a01277_source.html">BALL/VIEW/DIALOGS/dockResultDialog.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/ddd/a01223_source.html">BALL/VIEW/DIALOGS/dockResultDialog.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::DockResultDialog:</div>77 Inheritance·diagram·for·BALL::VIEW::DockResultDialog:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../df/d2f/a07578.png"·usemap="#BALL::VIEW::DockResultDialog_map"·alt=""/>80 ··<img·src="../../df/d2f/a07578.png"·usemap="#BALL::VIEW::DockResultDialog_map"·alt=""/>
81 ··<map·id="BALL::VIEW::DockResultDialog_map"·name="BALL::VIEW::DockResultDialog_map">81 ··<map·id="BALL::VIEW::DockResultDialog_map"·name="BALL::VIEW::DockResultDialog_map">
82 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,185,24"/>82 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,185,24"/>
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135 <tr·class="separator:a9081f81326c3c76c4acd9c72fb5821eb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>135 <tr·class="separator:a9081f81326c3c76c4acd9c72fb5821eb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
136 <tr·class="memitem:a2c9a13d00eb1cce88689ddbb03d726b0"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d2f/a07578.html#a2c9a13d00eb1cce88689ddbb03d726b0">redock_</a>·()</td></tr>136 <tr·class="memitem:a2c9a13d00eb1cce88689ddbb03d726b0"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d2f/a07578.html#a2c9a13d00eb1cce88689ddbb03d726b0">redock_</a>·()</td></tr>
137 <tr·class="separator:a2c9a13d00eb1cce88689ddbb03d726b0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>137 <tr·class="separator:a2c9a13d00eb1cce88689ddbb03d726b0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
138 </table>138 </table>
139 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>139 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
140 <div·class="textblock"><p·>Dialog·for·showing·the·docking·results.·</p>140 <div·class="textblock"><p·>Dialog·for·showing·the·docking·results.·</p>
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1d/a01277_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d2/d1d/a01277_source.html">dockResultDialog.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/ddd/a01223_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d7/ddd/a01223_source.html">dockResultDialog.h</a>.</p>
142 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>142 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
143 <a·id="a9fde6e35bd6d6a09462ddc5e01ceab39"·name="a9fde6e35bd6d6a09462ddc5e01ceab39"></a>143 <a·id="a9fde6e35bd6d6a09462ddc5e01ceab39"·name="a9fde6e35bd6d6a09462ddc5e01ceab39"></a>
144 <h2·class="memtitle"><span·class="permalink"><a·href="#a9fde6e35bd6d6a09462ddc5e01ceab39">&#9670;&nbsp;</a></span>DockResultDialog()</h2>144 <h2·class="memtitle"><span·class="permalink"><a·href="#a9fde6e35bd6d6a09462ddc5e01ceab39">&#9670;&nbsp;</a></span>DockResultDialog()</h2>
  
145 <div·class="memitem">145 <div·class="memitem">
146 <div·class="memproto">146 <div·class="memproto">
147 ······<table·class="memname">147 ······<table·class="memname">
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;71 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
72 <a·href="../../d6/dac/a06431.html">List·of·all·members</a>··</div>72 <a·href="../../d6/dac/a06431.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::Rescoring4D·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::Rescoring4D·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/SCORING/FUNCTIONS/rescoring4D.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d5/d2c/a02012_source.html">BALL/SCORING/FUNCTIONS/rescoring4D.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::Rescoring4D:</div>78 Inheritance·diagram·for·BALL::Rescoring4D:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../df/d30/a06434.png"·usemap="#BALL::Rescoring4D_map"·alt=""/>81 ··<img·src="../../df/d30/a06434.png"·usemap="#BALL::Rescoring4D_map"·alt=""/>
82 ··<map·id="BALL::Rescoring4D_map"·name="BALL::Rescoring4D_map">82 ··<map·id="BALL::Rescoring4D_map"·name="BALL::Rescoring4D_map">
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176 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>176 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
177 <div·class="textblock">177 <div·class="textblock">
178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d7f/a00287_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d6/d7f/a00287_source.html">rescoring4D.h</a>.</p>178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d2c/a02012_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d5/d2c/a02012_source.html">rescoring4D.h</a>.</p>
179 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>179 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
180 <a·id="a796c42626377c661ab355a34186e5c0e"·name="a796c42626377c661ab355a34186e5c0e"></a>180 <a·id="a796c42626377c661ab355a34186e5c0e"·name="a796c42626377c661ab355a34186e5c0e"></a>
181 <h2·class="memtitle"><span·class="permalink"><a·href="#a796c42626377c661ab355a34186e5c0e">&#9670;&nbsp;</a></span>Rescoring4D()</h2>181 <h2·class="memtitle"><span·class="permalink"><a·href="#a796c42626377c661ab355a34186e5c0e">&#9670;&nbsp;</a></span>Rescoring4D()</h2>
  
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10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath"> 
63 ··<ul> 
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_b878c16349dc35cd6d238899ef64b59a.html">MDSIMULATION</a></li>··</ul> 
65 </div> 
66 </div><!--·top·-->62 </div><!--·top·-->
67 <div·class="header">63 <div·class="header">
68 ··<div·class="summary"> 
69 <a·href="#nested-classes">Classes</a>·&#124; 
70 <a·href="#namespaces">Namespaces</a>··</div> 
71 ··<div·class="headertitle"><div·class="title">microCanonicalMD.h·File·Reference</div></div>64 ··<div·class="headertitle"><div·class="title">format.doc·File·Reference</div></div>
72 </div><!--header-->65 </div><!--header-->
73 <div·class="contents">66 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/da3/a00953_source.html">BALL/MOLMEC/MDSIMULATION/molecularDynamics.h</a>&gt;</code><br·/> 
75 </div> 
76 <p><a·href="../../df/d39/a00950_source.html">Go·to·the·source·code·of·this·file.</a></p> 
77 <table·class="memberdecls"> 
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
79 Classes</h2></td></tr> 
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d3d/a05146.html">BALL::MicroCanonicalMD</a></td></tr> 
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d48/a05150.html">BALL::MicroCanonicalMD::AuxFactors</a></td></tr> 
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
84 </table><table·class="memberdecls"> 
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
86 Namespaces</h2></td></tr> 
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
89 </table> 
90 </div><!--·contents·-->67 </div><!--·contents·-->
91 <!--·start·footer·part·-->68 <!--·start·footer·part·-->
92 <hr·class="footer"/><address·class="footer"><small>69 <hr·class="footer"/><address·class="footer"><small>
93 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.470 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">gradient.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">TRRFile.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d38/a00926_source.html">BALL/FORMAT/trajectoryFile.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d2/d4a/a00758_source.html">BALL/SYSTEM/binaryFileAdaptor.h</a>&gt;</code><br·/>
76 <code>#include·&lt;vector&gt;</code><br·/> 
77 </div>76 </div>
78 <p><a·href="../../df/d41/a00881_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../df/d41/a00881_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">78 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>80 Classes</h2></td></tr>
 81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d70/a04454.html">BALL::TRRFile</a></td></tr>
 82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/df6/a05082.html">BALL::Gradient</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/df5/a04458.html">BALL::TRRFile::TRRHeader</a></td></tr>
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86 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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72 ··<div·class="headertitle"><div·class="title">BALL::FragmentationalSolvation·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::FragmentationalSolvation·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d5/ddf/a00224_source.html">BALL/SCORING/COMPONENTS/fragmentationalSolvation.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d13/a02045_source.html">BALL/SCORING/COMPONENTS/fragmentationalSolvation.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::FragmentationalSolvation:</div>77 Inheritance·diagram·for·BALL::FragmentationalSolvation:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../df/d41/a06270.png"·usemap="#BALL::FragmentationalSolvation_map"·alt=""/>80 ··<img·src="../../df/d41/a06270.png"·usemap="#BALL::FragmentationalSolvation_map"·alt=""/>
81 ··<map·id="BALL::FragmentationalSolvation_map"·name="BALL::FragmentationalSolvation_map">81 ··<map·id="BALL::FragmentationalSolvation_map"·name="BALL::FragmentationalSolvation_map">
82 <area·href="../../d6/deb/a06362.html"·alt="BALL::Solvation"·shape="rect"·coords="0,56,191,80"/>82 <area·href="../../d6/deb/a06362.html"·alt="BALL::Solvation"·shape="rect"·coords="0,56,191,80"/>
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190 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>190 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>
191 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>191 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
192 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>192 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
193 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>193 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
194 </table>194 </table>
195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
196 <div·class="textblock">196 <div·class="textblock">
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/ddf/a00224_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d5/ddf/a00224_source.html">fragmentationalSolvation.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d13/a02045_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d7/d13/a02045_source.html">fragmentationalSolvation.h</a>.</p>
198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
199 <a·id="ac8905f7c642eb125f13aff989ded80b8"·name="ac8905f7c642eb125f13aff989ded80b8"></a>199 <a·id="ac8905f7c642eb125f13aff989ded80b8"·name="ac8905f7c642eb125f13aff989ded80b8"></a>
200 <h2·class="memtitle"><span·class="permalink"><a·href="#ac8905f7c642eb125f13aff989ded80b8">&#9670;&nbsp;</a></span>FragmentationalSolvation()</h2>200 <h2·class="memtitle"><span·class="permalink"><a·href="#ac8905f7c642eb125f13aff989ded80b8">&#9670;&nbsp;</a></span>FragmentationalSolvation()</h2>
  
201 <div·class="memitem">201 <div·class="memitem">
202 <div·class="memproto">202 <div·class="memproto">
203 ······<table·class="memname">203 ······<table·class="memname">
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70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../d7/dd1/a05395.html">List·of·all·members</a>··</div>71 <a·href="../../d7/dd1/a05395.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Potential1210::Values·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Potential1210::Values·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/MOLMEC/PARAMETER/potential1210.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/db1/a00140_source.html">BALL/MOLMEC/PARAMETER/potential1210.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a178eb8688d2e2b5cf7807aafaa1222c3"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d45/a05398.html#a178eb8688d2e2b5cf7807aafaa1222c3">A</a></td></tr>79 <tr·class="memitem:a178eb8688d2e2b5cf7807aafaa1222c3"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d45/a05398.html#a178eb8688d2e2b5cf7807aafaa1222c3">A</a></td></tr>
80 <tr·class="separator:a178eb8688d2e2b5cf7807aafaa1222c3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a178eb8688d2e2b5cf7807aafaa1222c3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a4259ba25da05074f275e8501df0ca62d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d45/a05398.html#a4259ba25da05074f275e8501df0ca62d">B</a></td></tr>81 <tr·class="memitem:a4259ba25da05074f275e8501df0ca62d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d45/a05398.html#a4259ba25da05074f275e8501df0ca62d">B</a></td></tr>
82 <tr·class="separator:a4259ba25da05074f275e8501df0ca62d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a4259ba25da05074f275e8501df0ca62d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock">85 <div·class="textblock">
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">potential1210.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db1/a00140_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d5/db1/a00140_source.html">potential1210.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="a178eb8688d2e2b5cf7807aafaa1222c3"·name="a178eb8688d2e2b5cf7807aafaa1222c3"></a>88 <a·id="a178eb8688d2e2b5cf7807aafaa1222c3"·name="a178eb8688d2e2b5cf7807aafaa1222c3"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#a178eb8688d2e2b5cf7807aafaa1222c3">&#9670;&nbsp;</a></span>A</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#a178eb8688d2e2b5cf7807aafaa1222c3">&#9670;&nbsp;</a></span>A</h2>
  
90 <div·class="memitem">90 <div·class="memitem">
91 <div·class="memproto">91 <div·class="memproto">
92 ······<table·class="memname">92 ······<table·class="memname">
93 ········<tr>93 ········<tr>
94 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::Potential1210::Values::A</td>94 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::Potential1210::Values::A</td>
95 ········</tr>95 ········</tr>
96 ······</table>96 ······</table>
97 </div><div·class="memdoc">97 </div><div·class="memdoc">
  
98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">potential1210.h</a>.</p>98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db1/a00140_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d5/db1/a00140_source.html">potential1210.h</a>.</p>
  
99 </div>99 </div>
100 </div>100 </div>
101 <a·id="a4259ba25da05074f275e8501df0ca62d"·name="a4259ba25da05074f275e8501df0ca62d"></a>101 <a·id="a4259ba25da05074f275e8501df0ca62d"·name="a4259ba25da05074f275e8501df0ca62d"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#a4259ba25da05074f275e8501df0ca62d">&#9670;&nbsp;</a></span>B</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#a4259ba25da05074f275e8501df0ca62d">&#9670;&nbsp;</a></span>B</h2>
  
103 <div·class="memitem">103 <div·class="memitem">
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111 ········<tr>111 ········<tr>
112 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::Potential1210::Values::B</td>112 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::Potential1210::Values::B</td>
113 ········</tr>113 ········</tr>
114 ······</table>114 ······</table>
115 </div><div·class="memdoc">115 </div><div·class="memdoc">
  
116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">potential1210.h</a>.</p>116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db1/a00140_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d5/db1/a00140_source.html">potential1210.h</a>.</p>
  
117 </div>117 </div>
118 </div>118 </div>
119 </div><!--·contents·-->119 </div><!--·contents·-->
120 <!--·start·footer·part·-->120 <!--·start·footer·part·-->
121 <hr·class="footer"/><address·class="footer"><small>121 <hr·class="footer"/><address·class="footer"><small>
122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4122 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../de/d7d/a08123.html">List·of·all·members</a>··</div>71 <a·href="../../de/d7d/a08123.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ResidueTypeColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ResidueTypeColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/d35/a01184_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::ResidueTypeColorProcessor:</div>77 Inheritance·diagram·for·BALL::VIEW::ResidueTypeColorProcessor:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../df/d48/a08126.png"·usemap="#BALL::VIEW::ResidueTypeColorProcessor_map"·alt=""/>80 ··<img·src="../../df/d48/a08126.png"·usemap="#BALL::VIEW::ResidueTypeColorProcessor_map"·alt=""/>
81 ··<map·id="BALL::VIEW::ResidueTypeColorProcessor_map"·name="BALL::VIEW::ResidueTypeColorProcessor_map">81 ··<map·id="BALL::VIEW::ResidueTypeColorProcessor_map"·name="BALL::VIEW::ResidueTypeColorProcessor_map">
82 <area·href="../../db/d56/a08042.html"·alt="BALL::VIEW::ColorProcessor"·shape="rect"·coords="0,112,364,136"/>82 <area·href="../../db/d56/a08042.html"·alt="BALL::VIEW::ColorProcessor"·shape="rect"·coords="0,112,364,136"/>
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235 <tr·class="separator:a3173044548dc6712c9c0b44ea584780b·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>235 <tr·class="separator:a3173044548dc6712c9c0b44ea584780b·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
236 <tr·class="memitem:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d56/a08042.html#a18059f4f928525494f82e367a40cab58">min_spacing_</a></td></tr>236 <tr·class="memitem:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d56/a08042.html#a18059f4f928525494f82e367a40cab58">min_spacing_</a></td></tr>
237 <tr·class="separator:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>237 <tr·class="separator:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
238 </table>238 </table>
239 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>239 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
240 <div·class="textblock"><p·>Coloring·by·the·type·of·a·<a·class="el"·href="../../d3/d84/a04622.html">Residue</a>·</p>240 <div·class="textblock"><p·>Coloring·by·the·type·of·a·<a·class="el"·href="../../d3/d84/a04622.html">Residue</a>·</p>
  
241 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00546">546</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>241 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00546">546</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
242 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>242 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
243 <a·id="acc5ace4c92963907c48d2c7182c9b995"·name="acc5ace4c92963907c48d2c7182c9b995"></a>243 <a·id="acc5ace4c92963907c48d2c7182c9b995"·name="acc5ace4c92963907c48d2c7182c9b995"></a>
244 <h2·class="memtitle"><span·class="permalink"><a·href="#acc5ace4c92963907c48d2c7182c9b995">&#9670;&nbsp;</a></span>ResidueTypeColorProcessor()</h2>244 <h2·class="memtitle"><span·class="permalink"><a·href="#acc5ace4c92963907c48d2c7182c9b995">&#9670;&nbsp;</a></span>ResidueTypeColorProcessor()</h2>
  
245 <div·class="memitem">245 <div·class="memitem">
246 <div·class="memproto">246 <div·class="memproto">
247 ······<table·class="memname">247 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d6/d47/a07775.html">List·of·all·members</a>··</div>71 <a·href="../../d6/d47/a07775.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::NotificationEvent·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::NotificationEvent·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../da/dd8/a01265_source.html">BALL/VIEW/INPUT/notificationEvent.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dc/d8e/a01331_source.html">BALL/VIEW/INPUT/notificationEvent.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::NotificationEvent:</div>77 Inheritance·diagram·for·BALL::VIEW::NotificationEvent:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../df/d49/a07778.png"·usemap="#BALL::VIEW::NotificationEvent_map"·alt=""/>80 ··<img·src="../../df/d49/a07778.png"·usemap="#BALL::VIEW::NotificationEvent_map"·alt=""/>
81 ··<map·id="BALL::VIEW::NotificationEvent_map"·name="BALL::VIEW::NotificationEvent_map">81 ··<map·id="BALL::VIEW::NotificationEvent_map"·name="BALL::VIEW::NotificationEvent_map">
82 <area·href="../../d9/d25/a20102.html"·alt="QEvent"·shape="rect"·coords="0,0,181,24"/>82 <area·href="../../d9/d25/a20102.html"·alt="QEvent"·shape="rect"·coords="0,0,181,24"/>
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94 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>94 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
95 <div·class="textblock">95 <div·class="textblock">
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72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/MOLMEC/MINIMIZATION/energyMinimizer.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d6/d2f/a00854_source.html">BALL/MOLMEC/MINIMIZATION/lineSearch.h</a>&gt;</code><br·/>75 <code>#include·&lt;QtCore/QObject&gt;</code><br·/>
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77 <p><a·href="../../df/d4c/a00851_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../df/d4c/a00851_source.html">Go·to·the·source·code·of·this·file.</a></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
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72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordTypeFormat·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordTypeFormat·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
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85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock">87 <div·class="textblock">
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100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00337">337</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">PDBdefs.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00337">337</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
101 </div>101 </div>
102 </div>102 </div>
103 <a·id="ac795842e731e00f094ec8cb5e03e7754"·name="ac795842e731e00f094ec8cb5e03e7754"></a>103 <a·id="ac795842e731e00f094ec8cb5e03e7754"·name="ac795842e731e00f094ec8cb5e03e7754"></a>
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130 ··········<td·class="memname">char·BALL::PDB::RecordTypeFormat::string[7]</td>130 ··········<td·class="memname">char·BALL::PDB::RecordTypeFormat::string[7]</td>
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71 <a·href="../../d6/d96/a08115.html">List·of·all·members</a>··</div>71 <a·href="../../d6/d96/a08115.html">List·of·all·members</a>··</div>
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73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/d35/a01184_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
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271 <div·class="textblock"><p·>Coloring·by·the·forces,·acting·on·atoms.·</p>271 <div·class="textblock"><p·>Coloring·by·the·forces,·acting·on·atoms.·</p>
  
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101 </div>101 </div>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>
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68 ··<div·class="summary">68 ··<div·class="summary">
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">kpcrModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">forceFieldEvaluation.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/dbe/a02084_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/dae/a01994_source.html">BALL/SCORING/FUNCTIONS/energeticEvaluation.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../dd/d2e/a01949_source.html">BALL/QSAR/pcrModel.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d9/de8/a02006_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d3/d8b/a00059_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>
77 </div>76 </div>
78 <p><a·href="../../df/d52/a02027_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../df/d52/a02027_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">78 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>79 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>80 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/de0/a05738.html">BALL::QSAR::KPCRModel</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d71/a06390.html">BALL::ForceFieldEvaluation</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
86 Namespaces</h2></td></tr>85 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>86 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="#namespaces">Namespaces</a>··</div>71 <a·href="#namespaces">Namespaces</a>··</div>
72 ··<div·class="headertitle"><div·class="title">KERNEL/predicate.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">KERNEL/predicate.h·File·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/dcf/a01031_source.html">BALL/COMMON/rtti.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d2a/a00632_source.html">BALL/COMMON/rtti.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d3/dbe/a20359_source.html">BALL/CONCEPT/predicate.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d3/dbe/a20359_source.html">BALL/CONCEPT/predicate.h</a>&gt;</code><br·/>
77 <code>#include·&lt;<a·class="el"·href="../../d7/d82/a01601_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d7/dcf/a00845_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>
78 </div>78 </div>
79 <p><a·href="../../df/d53/a20362_source.html">Go·to·the·source·code·of·this·file.</a></p>79 <p><a·href="../../df/d53/a20362_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">80 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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84 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Kernel·predicate·class.··<a·href="../../d0/d15/a04574.html#details">More...</a><br·/></td></tr>84 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Kernel·predicate·class.··<a·href="../../d0/d15/a04574.html#details">More...</a><br·/></td></tr>
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71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;72 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
73 <a·href="../../db/d41/a06115.html">List·of·all·members</a>··</div>73 <a·href="../../db/d41/a06115.html">List·of·all·members</a>··</div>
74 ··<div·class="headertitle"><div·class="title">BALL::ScoringBaseFunction·Class·Reference</div></div>74 ··<div·class="headertitle"><div·class="title">BALL::ScoringBaseFunction·Class·Reference</div></div>
75 </div><!--header-->75 </div><!--header-->
76 <div·class="contents">76 <div·class="contents">
  
77 <p><code>#include·&lt;<a·class="el"·href="../../d3/d1a/a00251_source.html">BALL/SCORING/COMMON/baseFunction.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d6/d90/a01964_source.html">BALL/SCORING/COMMON/baseFunction.h</a>&gt;</code></p>
78 <div·class="dynheader">78 <div·class="dynheader">
79 Inheritance·diagram·for·BALL::ScoringBaseFunction:</div>79 Inheritance·diagram·for·BALL::ScoringBaseFunction:</div>
80 <div·class="dyncontent">80 <div·class="dyncontent">
81 ·<div·class="center">81 ·<div·class="center">
82 ··<img·src="../../df/d58/a06118.png"·usemap="#BALL::ScoringBaseFunction_map"·alt=""/>82 ··<img·src="../../df/d58/a06118.png"·usemap="#BALL::ScoringBaseFunction_map"·alt=""/>
83 ··<map·id="BALL::ScoringBaseFunction_map"·name="BALL::ScoringBaseFunction_map">83 ··<map·id="BALL::ScoringBaseFunction_map"·name="BALL::ScoringBaseFunction_map">
84 <area·href="../../d2/d44/a06130.html"·alt="BALL::FermiBaseFunction"·shape="rect"·coords="0,56,170,80"/>84 <area·href="../../d2/d44/a06130.html"·alt="BALL::FermiBaseFunction"·shape="rect"·coords="0,56,170,80"/>
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117 <tr·class="separator:adab8355ca21367a8cd1d5a9d90340e12"><td·class="memSeparator"·colspan="2">&#160;</td></tr>117 <tr·class="separator:adab8355ca21367a8cd1d5a9d90340e12"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
118 <tr·class="memitem:af4424697aecfa637e161b6e60776960a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d58/a06118.html#af4424697aecfa637e161b6e60776960a">upper_</a></td></tr>118 <tr·class="memitem:af4424697aecfa637e161b6e60776960a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d58/a06118.html#af4424697aecfa637e161b6e60776960a">upper_</a></td></tr>
119 <tr·class="separator:af4424697aecfa637e161b6e60776960a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:af4424697aecfa637e161b6e60776960a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Define·the·interface·for·the·base·function·</p>122 <div·class="textblock"><p·>Define·the·interface·for·the·base·function·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d1a/a00251_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d3/d1a/a00251_source.html">baseFunction.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d90/a01964_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d6/d90/a01964_source.html">baseFunction.h</a>.</p>
124 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>124 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
125 <a·id="af915cd6319bfe9ec7e8a3de7d55c9a70"·name="af915cd6319bfe9ec7e8a3de7d55c9a70"></a>125 <a·id="af915cd6319bfe9ec7e8a3de7d55c9a70"·name="af915cd6319bfe9ec7e8a3de7d55c9a70"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#af915cd6319bfe9ec7e8a3de7d55c9a70">&#9670;&nbsp;</a></span>BaseFunctionType</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#af915cd6319bfe9ec7e8a3de7d55c9a70">&#9670;&nbsp;</a></span>BaseFunctionType</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
128 <div·class="memproto">128 <div·class="memproto">
129 ······<table·class="memname">129 ······<table·class="memname">
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135 ······</table>135 ······</table>
136 </div><div·class="memdoc">136 </div><div·class="memdoc">
137 <table·class="fieldtable">137 <table·class="fieldtable">
138 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="af915cd6319bfe9ec7e8a3de7d55c9a70a0ca84e033797c0aab78170a9e0f1ae18"·name="af915cd6319bfe9ec7e8a3de7d55c9a70a0ca84e033797c0aab78170a9e0f1ae18"></a>BASE_FUNCTION_TYPE__LINEAR&#160;</td><td·class="fielddoc"></td></tr>138 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="af915cd6319bfe9ec7e8a3de7d55c9a70a0ca84e033797c0aab78170a9e0f1ae18"·name="af915cd6319bfe9ec7e8a3de7d55c9a70a0ca84e033797c0aab78170a9e0f1ae18"></a>BASE_FUNCTION_TYPE__LINEAR&#160;</td><td·class="fielddoc"></td></tr>
139 <tr><td·class="fieldname"><a·id="af915cd6319bfe9ec7e8a3de7d55c9a70aa1138347d0be3bb7d78e129c983bcd80"·name="af915cd6319bfe9ec7e8a3de7d55c9a70aa1138347d0be3bb7d78e129c983bcd80"></a>BASE_FUNCTION_TYPE__FERMI&#160;</td><td·class="fielddoc"></td></tr>139 <tr><td·class="fieldname"><a·id="af915cd6319bfe9ec7e8a3de7d55c9a70aa1138347d0be3bb7d78e129c983bcd80"·name="af915cd6319bfe9ec7e8a3de7d55c9a70aa1138347d0be3bb7d78e129c983bcd80"></a>BASE_FUNCTION_TYPE__FERMI&#160;</td><td·class="fielddoc"></td></tr>
140 </table>140 </table>
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d1a/a00251_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d3/d1a/a00251_source.html">baseFunction.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d90/a01964_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d6/d90/a01964_source.html">baseFunction.h</a>.</p>
  
142 </div>142 </div>
143 </div>143 </div>
144 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>144 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
145 <a·id="a608ae0d413735a1db122dade6e797089"·name="a608ae0d413735a1db122dade6e797089"></a>145 <a·id="a608ae0d413735a1db122dade6e797089"·name="a608ae0d413735a1db122dade6e797089"></a>
146 <h2·class="memtitle"><span·class="permalink"><a·href="#a608ae0d413735a1db122dade6e797089">&#9670;&nbsp;</a></span>ScoringBaseFunction()·<span·class="overload">[1/2]</span></h2>146 <h2·class="memtitle"><span·class="permalink"><a·href="#a608ae0d413735a1db122dade6e797089">&#9670;&nbsp;</a></span>ScoringBaseFunction()·<span·class="overload">[1/2]</span></h2>
  
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360 ··</td>360 ··</td>
361 ··<td·class="mlabels-right">361 ··<td·class="mlabels-right">
362 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>362 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
363 ··</tr>363 ··</tr>
364 </table>364 </table>
365 </div><div·class="memdoc">365 </div><div·class="memdoc">
  
366 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d1a/a00251_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d3/d1a/a00251_source.html">baseFunction.h</a>.</p>366 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d90/a01964_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d6/d90/a01964_source.html">baseFunction.h</a>.</p>
  
367 </div>367 </div>
368 </div>368 </div>
369 <a·id="af4424697aecfa637e161b6e60776960a"·name="af4424697aecfa637e161b6e60776960a"></a>369 <a·id="af4424697aecfa637e161b6e60776960a"·name="af4424697aecfa637e161b6e60776960a"></a>
370 <h2·class="memtitle"><span·class="permalink"><a·href="#af4424697aecfa637e161b6e60776960a">&#9670;&nbsp;</a></span>upper_</h2>370 <h2·class="memtitle"><span·class="permalink"><a·href="#af4424697aecfa637e161b6e60776960a">&#9670;&nbsp;</a></span>upper_</h2>
  
371 <div·class="memitem">371 <div·class="memitem">
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384 ··</td>384 ··</td>
385 ··<td·class="mlabels-right">385 ··<td·class="mlabels-right">
386 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>386 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
387 ··</tr>387 ··</tr>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_172821828ed838e714d67791f53a2f5a.html">ENERGY</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>
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68 ··<div·class="summary">68 ··<div·class="summary">
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69 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
70 <a·href="#func-members">Functions</a>··</div> 
71 ··<div·class="headertitle"><div·class="title">distanceCoulomb.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">editOperation.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
75 </div>75 </div>
76 <p><a·href="../../df/d59/a01001_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../df/d59/a01001_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
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81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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82 </table><table·class="memberdecls"> 
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
84 Functions</h2></td></tr> 
85 <tr·class="memitem:ga2f1a688a3e5e99f7ea436ee5c13204e5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/df6/a02138.html#ga2f1a688a3e5e99f7ea436ee5c13204e5">BALL::calculateDistanceCoulomb</a>·(const·AtomContainer·&amp;fragment)</td></tr> 
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73 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::MinorMinWidthReducer·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::MinorMinWidthReducer·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../de/dca/a01907_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>
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105 ··</dd>105 ··</dd>
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110 <h2·class="memtitle"><span·class="permalink"><a·href="#a0fffed571c992d0ba10a29f48a8d148e">&#9670;&nbsp;</a></span>MinorMinWidthReducer()</h2>110 <h2·class="memtitle"><span·class="permalink"><a·href="#a0fffed571c992d0ba10a29f48a8d148e">&#9670;&nbsp;</a></span>MinorMinWidthReducer()</h2>
  
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112 <div·class="memproto">112 <div·class="memproto">
113 <div·class="memtemplate">113 <div·class="memtemplate">
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198 ··<td·class="mlabels-right">198 ··<td·class="mlabels-right">
199 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>199 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
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203 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00228">228</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">treeWidth.h</a>.</p>203 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00228">228</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
204 </div>204 </div>
205 </div>205 </div>
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207 <!--·start·footer·part·-->207 <!--·start·footer·part·-->
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209 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4209 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 <a·href="../../d4/d34/a04979.html">List·of·all·members</a>··</div>72 <a·href="../../d4/d34/a04979.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::CESelementPredicate·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::CESelementPredicate·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d5/d16/a00029_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::GAFFCESParser::CESelementPredicate:</div>78 Inheritance·diagram·for·BALL::GAFFCESParser::CESelementPredicate:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../df/d5e/a04982.png"·usemap="#BALL::GAFFCESParser::CESelementPredicate_map"·alt=""/>81 ··<img·src="../../df/d5e/a04982.png"·usemap="#BALL::GAFFCESParser::CESelementPredicate_map"·alt=""/>
82 ··<map·id="BALL::GAFFCESParser::CESelementPredicate_map"·name="BALL::GAFFCESParser::CESelementPredicate_map">82 ··<map·id="BALL::GAFFCESParser::CESelementPredicate_map"·name="BALL::GAFFCESParser::CESelementPredicate_map">
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164 </table>164 </table>
165 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>165 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
166 <div·class="textblock">166 <div·class="textblock">
167 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00213">213</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">GAFFCESParser.h</a>.</p>167 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00213">213</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
168 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>168 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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170 <h2·class="memtitle"><span·class="permalink"><a·href="#a6161e3789c8d8fbf841664a1f92b1b07">&#9670;&nbsp;</a></span>CESelementPredicate()</h2>170 <h2·class="memtitle"><span·class="permalink"><a·href="#a6161e3789c8d8fbf841664a1f92b1b07">&#9670;&nbsp;</a></span>CESelementPredicate()</h2>
  
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192 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00216">216</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">GAFFCESParser.h</a>.</p>192 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00216">216</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
193 </div>193 </div>
194 </div>194 </div>
195 <a·id="a90a16b25e8cf69b369a39d117ac380ff"·name="a90a16b25e8cf69b369a39d117ac380ff"></a>195 <a·id="a90a16b25e8cf69b369a39d117ac380ff"·name="a90a16b25e8cf69b369a39d117ac380ff"></a>
196 <h2·class="memtitle"><span·class="permalink"><a·href="#a90a16b25e8cf69b369a39d117ac380ff">&#9670;&nbsp;</a></span>~CESelementPredicate()</h2>196 <h2·class="memtitle"><span·class="permalink"><a·href="#a90a16b25e8cf69b369a39d117ac380ff">&#9670;&nbsp;</a></span>~CESelementPredicate()</h2>
  
197 <div·class="memitem">197 <div·class="memitem">
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292 ··</td>292 ··</td>
293 ··<td·class="mlabels-right">293 ··<td·class="mlabels-right">
294 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>294 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
295 ··</tr>295 ··</tr>
296 </table>296 </table>
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298 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00229">229</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">GAFFCESParser.h</a>.</p>298 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00229">229</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
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304 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4304 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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72 <a·href="../../da/d4a/a03107.html">List·of·all·members</a>··</div>72 <a·href="../../da/d4a/a03107.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::Exception::OutOfMemory·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::Exception::OutOfMemory·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
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79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../df/d64/a03110.png"·usemap="#BALL::Exception::OutOfMemory_map"·alt=""/>81 ··<img·src="../../df/d64/a03110.png"·usemap="#BALL::Exception::OutOfMemory_map"·alt=""/>
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142 ··<table·class="params">142 ··<table·class="params">
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144 ··</table>144 ··</table>
145 ··</dd>145 ··</dd>
146 </dl>146 </dl>
147 <dl·class="section·see"><dt>See·also</dt><dd>GlobalException::newHandler·</dd></dl>147 <dl·class="section·see"><dt>See·also</dt><dd>GlobalException::newHandler·</dd></dl>
  
148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00316">316</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00316">316</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
149 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>149 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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152 <div·class="memitem">152 <div·class="memitem">
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154 ······<table·class="memname">154 ······<table·class="memname">
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230 ··</td>230 ··</td>
231 ··<td·class="mlabels-right">231 ··<td·class="mlabels-right">
232 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>232 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
233 ··</tr>233 ··</tr>
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8 <title>BALL:·serverPreferences.h·File·Reference</title>8 <title>BALL:·disc.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>
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68 ··<div·class="summary">68 ··<div·class="summary">
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71 ··<div·class="headertitle"><div·class="title">serverPreferences.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">disc.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>
75 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/> 
76 <code>#include·&lt;QtWidgets/QCheckBox&gt;</code><br·/> 
77 <code>#include·&lt;QtWidgets/QLineEdit&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../db/dc3/a00284_source.html">BALL/MATHS/circle3.h</a>&gt;</code><br·/>
79 </div>76 </div>
80 <p><a·href="../../df/d68/a01385_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../df/d68/a01385_source.html">Go·to·the·source·code·of·this·file.</a></p>
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90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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73 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::PosePointer·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::PosePointer·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d3/d87/a00539_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d5/d10/a01571_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>
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132 </div>132 </div>
133 </div>133 </div>
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159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00219">219</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00219">219</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
160 </div>160 </div>
161 </div>161 </div>
162 <h2·class="groupheader">Member·Data·Documentation</h2>162 <h2·class="groupheader">Member·Data·Documentation</h2>
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176 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00225">225</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">poseClustering.h</a>.</p>176 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00225">225</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
177 </div>177 </div>
178 </div>178 </div>
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69 ··<div·class="summary">69 ··<div·class="summary">
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71 <a·href="../../da/d8b/a07703.html">List·of·all·members</a>··</div>71 <a·href="../../da/d8b/a07703.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PubChemDialog::ParsedResult_·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PubChemDialog::ParsedResult_·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../de/d90/a01313_source.html">BALL/VIEW/DIALOGS/pubchemDialog.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d2/d1d/a01277_source.html">BALL/VIEW/DIALOGS/pubchemDialog.h</a>&gt;</code></p>
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78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a91dca26ebbfbf802b0a3d3fc031cad70"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d72/a07706.html#a91dca26ebbfbf802b0a3d3fc031cad70">name</a></td></tr>79 <tr·class="memitem:a91dca26ebbfbf802b0a3d3fc031cad70"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d72/a07706.html#a91dca26ebbfbf802b0a3d3fc031cad70">name</a></td></tr>
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81 <tr·class="memitem:a8a9b23b88f50304892acd9f3f792bfe2"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d72/a07706.html#a8a9b23b88f50304892acd9f3f792bfe2">description</a></td></tr>81 <tr·class="memitem:a8a9b23b88f50304892acd9f3f792bfe2"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d72/a07706.html#a8a9b23b88f50304892acd9f3f792bfe2">description</a></td></tr>
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86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock">87 <div·class="textblock">
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89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
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101 </div>101 </div>
102 </div>102 </div>
103 <a·id="a91dca26ebbfbf802b0a3d3fc031cad70"·name="a91dca26ebbfbf802b0a3d3fc031cad70"></a>103 <a·id="a91dca26ebbfbf802b0a3d3fc031cad70"·name="a91dca26ebbfbf802b0a3d3fc031cad70"></a>
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116 ······</table>116 ······</table>
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119 </div>119 </div>
120 </div>120 </div>
121 <a·id="ae263d4f78cfb1e409fe566f7b227e003"·name="ae263d4f78cfb1e409fe566f7b227e003"></a>121 <a·id="ae263d4f78cfb1e409fe566f7b227e003"·name="ae263d4f78cfb1e409fe566f7b227e003"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#ae263d4f78cfb1e409fe566f7b227e003">&#9670;&nbsp;</a></span>smiles</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#ae263d4f78cfb1e409fe566f7b227e003">&#9670;&nbsp;</a></span>smiles</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
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129 ········<tr>129 ········<tr>
130 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::VIEW::PubChemDialog::ParsedResult_::smiles</td>130 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::VIEW::PubChemDialog::ParsedResult_::smiles</td>
131 ········</tr>131 ········</tr>
132 ······</table>132 ······</table>
133 </div><div·class="memdoc">133 </div><div·class="memdoc">
  
134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d90/a01313_source.html#l00100">100</a>·of·file·<a·class="el"·href="../../de/d90/a01313_source.html">pubchemDialog.h</a>.</p>134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1d/a01277_source.html#l00100">100</a>·of·file·<a·class="el"·href="../../d2/d1d/a01277_source.html">pubchemDialog.h</a>.</p>
  
135 </div>135 </div>
136 </div>136 </div>
137 </div><!--·contents·-->137 </div><!--·contents·-->
138 <!--·start·footer·part·-->138 <!--·start·footer·part·-->
139 <hr·class="footer"/><address·class="footer"><small>139 <hr·class="footer"/><address·class="footer"><small>
140 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4140 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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68 <div·class="header">68 <div·class="header">
69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d2/dfc/a04007.html">List·of·all·members</a>··</div>70 <a·href="../../d2/dfc/a04007.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::MOPACOutputFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::MOPACOutputFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../db/db2/a00020_source.html">BALL/FORMAT/MOPACOutputFile.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d8/dbb/a00932_source.html">BALL/FORMAT/MOPACOutputFile.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::MOPACOutputFile:</div>76 Inheritance·diagram·for·BALL::MOPACOutputFile:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../df/d75/a04010.png"·usemap="#BALL::MOPACOutputFile_map"·alt=""/>79 ··<img·src="../../df/d75/a04010.png"·usemap="#BALL::MOPACOutputFile_map"·alt=""/>
80 ··<map·id="BALL::MOPACOutputFile_map"·name="BALL::MOPACOutputFile_map">80 ··<map·id="BALL::MOPACOutputFile_map"·name="BALL::MOPACOutputFile_map">
81 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>81 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>
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387 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>387 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>
388 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>388 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
389 </table>389 </table>
390 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>390 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
391 <div·class="textblock"><p·>MOPAC·output·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·MOPAC·output·files.·<br··/>391 <div·class="textblock"><p·>MOPAC·output·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·MOPAC·output·files.·<br··/>
392 ·</p>392 ·</p>
  
393 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/db2/a00020_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../db/db2/a00020_source.html">MOPACOutputFile.h</a>.</p>393 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbb/a00932_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d8/dbb/a00932_source.html">MOPACOutputFile.h</a>.</p>
394 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>394 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
395 <a·id="a3d0293e9e070e596cb8ffb997e715cc3"·name="a3d0293e9e070e596cb8ffb997e715cc3"></a>395 <a·id="a3d0293e9e070e596cb8ffb997e715cc3"·name="a3d0293e9e070e596cb8ffb997e715cc3"></a>
396 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d0293e9e070e596cb8ffb997e715cc3">&#9670;&nbsp;</a></span>MOPACOutputFile()·<span·class="overload">[1/2]</span></h2>396 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d0293e9e070e596cb8ffb997e715cc3">&#9670;&nbsp;</a></span>MOPACOutputFile()·<span·class="overload">[1/2]</span></h2>
  
397 <div·class="memitem">397 <div·class="memitem">
398 <div·class="memproto">398 <div·class="memproto">
399 ······<table·class="memname">399 ······<table·class="memname">
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619 ··</td>619 ··</td>
620 ··<td·class="mlabels-right">620 ··<td·class="mlabels-right">
621 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>621 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
622 ··</tr>622 ··</tr>
623 </table>623 </table>
624 </div><div·class="memdoc">624 </div><div·class="memdoc">
  
625 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/db2/a00020_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../db/db2/a00020_source.html">MOPACOutputFile.h</a>.</p>625 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbb/a00932_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../d8/dbb/a00932_source.html">MOPACOutputFile.h</a>.</p>
  
626 </div>626 </div>
627 </div>627 </div>
628 <a·id="a789d2b28bd4ebe580f8b9cfa9b536d3b"·name="a789d2b28bd4ebe580f8b9cfa9b536d3b"></a>628 <a·id="a789d2b28bd4ebe580f8b9cfa9b536d3b"·name="a789d2b28bd4ebe580f8b9cfa9b536d3b"></a>
629 <h2·class="memtitle"><span·class="permalink"><a·href="#a789d2b28bd4ebe580f8b9cfa9b536d3b">&#9670;&nbsp;</a></span>type_counts_</h2>629 <h2·class="memtitle"><span·class="permalink"><a·href="#a789d2b28bd4ebe580f8b9cfa9b536d3b">&#9670;&nbsp;</a></span>type_counts_</h2>
  
630 <div·class="memitem">630 <div·class="memitem">
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643 ··</td>643 ··</td>
644 ··<td·class="mlabels-right">644 ··<td·class="mlabels-right">
645 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>645 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
646 ··</tr>646 ··</tr>
647 </table>647 </table>
648 </div><div·class="memdoc">648 </div><div·class="memdoc">
  
649 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/db2/a00020_source.html#l00088">88</a>·of·file·<a·class="el"·href="../../db/db2/a00020_source.html">MOPACOutputFile.h</a>.</p>649 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbb/a00932_source.html#l00088">88</a>·of·file·<a·class="el"·href="../../d8/dbb/a00932_source.html">MOPACOutputFile.h</a>.</p>
  
650 </div>650 </div>
651 </div>651 </div>
652 </div><!--·contents·-->652 </div><!--·contents·-->
653 <!--·start·footer·part·-->653 <!--·start·footer·part·-->
654 <hr·class="footer"/><address·class="footer"><small>654 <hr·class="footer"/><address·class="footer"><small>
655 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4655 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../dd/da2/a03723.html">List·of·all·members</a>··</div>71 <a·href="../../dd/da2/a03723.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::StaticLigandFragment::Connection·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::StaticLigandFragment::Connection·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/d44/a00533_source.html">BALL/DOCKING/COMMON/staticLigandFragment.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d3/da5/a01598_source.html">BALL/DOCKING/COMMON/staticLigandFragment.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a52871fe791fe87ea1e891cfa78d2523c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d76/a03726.html#a52871fe791fe87ea1e891cfa78d2523c">atom</a></td></tr>79 <tr·class="memitem:a52871fe791fe87ea1e891cfa78d2523c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d76/a03726.html#a52871fe791fe87ea1e891cfa78d2523c">atom</a></td></tr>
80 <tr·class="separator:a52871fe791fe87ea1e891cfa78d2523c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a52871fe791fe87ea1e891cfa78d2523c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:ab3b3f631d65ee1175f89b972f8bb3c5a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d76/a03726.html#ab3b3f631d65ee1175f89b972f8bb3c5a">neighbor_atom</a></td></tr>81 <tr·class="memitem:ab3b3f631d65ee1175f89b972f8bb3c5a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d76/a03726.html#ab3b3f631d65ee1175f89b972f8bb3c5a">neighbor_atom</a></td></tr>
82 <tr·class="separator:ab3b3f631d65ee1175f89b972f8bb3c5a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:ab3b3f631d65ee1175f89b972f8bb3c5a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a355aa5207729722d03be602491ed59c5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../db/db0/a03722.html">StaticLigandFragment</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d76/a03726.html#a355aa5207729722d03be602491ed59c5">fragment</a></td></tr>83 <tr·class="memitem:a355aa5207729722d03be602491ed59c5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../db/db0/a03722.html">StaticLigandFragment</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d76/a03726.html#a355aa5207729722d03be602491ed59c5">fragment</a></td></tr>
84 <tr·class="separator:a355aa5207729722d03be602491ed59c5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:a355aa5207729722d03be602491ed59c5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock"><p·>rotates·the·current·and·all·connected·ligand·fragments·(except·static_fragment)·around·given·axis·(--&gt;·bond·between·two·fragments)·rotates·the·current·and·all·connected·ligand·fragments·(except·static_fragment)·according·to·a·given·transformation·matrix·A·<a·class="el"·href="../../df/d76/a03726.html">Connection</a>·represent·a·single·rotatable·bond·which·connects·two·StaticLigandFragments·</p>87 <div·class="textblock"><p·>rotates·the·current·and·all·connected·ligand·fragments·(except·static_fragment)·around·given·axis·(--&gt;·bond·between·two·fragments)·rotates·the·current·and·all·connected·ligand·fragments·(except·static_fragment)·according·to·a·given·transformation·matrix·A·<a·class="el"·href="../../df/d76/a03726.html">Connection</a>·represent·a·single·rotatable·bond·which·connects·two·StaticLigandFragments·</p>
  
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d44/a00533_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../db/d44/a00533_source.html">staticLigandFragment.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da5/a01598_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d3/da5/a01598_source.html">staticLigandFragment.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="a52871fe791fe87ea1e891cfa78d2523c"·name="a52871fe791fe87ea1e891cfa78d2523c"></a>90 <a·id="a52871fe791fe87ea1e891cfa78d2523c"·name="a52871fe791fe87ea1e891cfa78d2523c"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#a52871fe791fe87ea1e891cfa78d2523c">&#9670;&nbsp;</a></span>atom</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#a52871fe791fe87ea1e891cfa78d2523c">&#9670;&nbsp;</a></span>atom</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
93 <div·class="memproto">93 <div·class="memproto">
94 ······<table·class="memname">94 ······<table·class="memname">
95 ········<tr>95 ········<tr>
96 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::StaticLigandFragment::Connection::atom</td>96 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::StaticLigandFragment::Connection::atom</td>
97 ········</tr>97 ········</tr>
98 ······</table>98 ······</table>
99 </div><div·class="memdoc">99 </div><div·class="memdoc">
100 <p·>atom·of·<em>this</em>·fragment·that·is·part·of·this·intra-fragment·bond·</p>100 <p·>atom·of·<em>this</em>·fragment·that·is·part·of·this·intra-fragment·bond·</p>
  
101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d44/a00533_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../db/d44/a00533_source.html">staticLigandFragment.h</a>.</p>101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da5/a01598_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d3/da5/a01598_source.html">staticLigandFragment.h</a>.</p>
  
102 </div>102 </div>
103 </div>103 </div>
104 <a·id="a355aa5207729722d03be602491ed59c5"·name="a355aa5207729722d03be602491ed59c5"></a>104 <a·id="a355aa5207729722d03be602491ed59c5"·name="a355aa5207729722d03be602491ed59c5"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#a355aa5207729722d03be602491ed59c5">&#9670;&nbsp;</a></span>fragment</h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#a355aa5207729722d03be602491ed59c5">&#9670;&nbsp;</a></span>fragment</h2>
  
106 <div·class="memitem">106 <div·class="memitem">
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115 ········<tr>115 ········<tr>
116 ··········<td·class="memname"><a·class="el"·href="../../db/db0/a03722.html">StaticLigandFragment</a>*·BALL::StaticLigandFragment::Connection::fragment</td>116 ··········<td·class="memname"><a·class="el"·href="../../db/db0/a03722.html">StaticLigandFragment</a>*·BALL::StaticLigandFragment::Connection::fragment</td>
117 ········</tr>117 ········</tr>
118 ······</table>118 ······</table>
119 </div><div·class="memdoc">119 </div><div·class="memdoc">
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d44/a00533_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../db/d44/a00533_source.html">staticLigandFragment.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da5/a01598_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../d3/da5/a01598_source.html">staticLigandFragment.h</a>.</p>
  
121 </div>121 </div>
122 </div>122 </div>
123 <a·id="ab3b3f631d65ee1175f89b972f8bb3c5a"·name="ab3b3f631d65ee1175f89b972f8bb3c5a"></a>123 <a·id="ab3b3f631d65ee1175f89b972f8bb3c5a"·name="ab3b3f631d65ee1175f89b972f8bb3c5a"></a>
124 <h2·class="memtitle"><span·class="permalink"><a·href="#ab3b3f631d65ee1175f89b972f8bb3c5a">&#9670;&nbsp;</a></span>neighbor_atom</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#ab3b3f631d65ee1175f89b972f8bb3c5a">&#9670;&nbsp;</a></span>neighbor_atom</h2>
  
125 <div·class="memitem">125 <div·class="memitem">
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131 ········<tr>131 ········<tr>
132 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::StaticLigandFragment::Connection::neighbor_atom</td>132 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::StaticLigandFragment::Connection::neighbor_atom</td>
133 ········</tr>133 ········</tr>
134 ······</table>134 ······</table>
135 </div><div·class="memdoc">135 </div><div·class="memdoc">
136 <p·>atom·of·the·neighbor·fragment·that·is·part·of·this·intra-fragment·bond·</p>136 <p·>atom·of·the·neighbor·fragment·that·is·part·of·this·intra-fragment·bond·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d44/a00533_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../db/d44/a00533_source.html">staticLigandFragment.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da5/a01598_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d3/da5/a01598_source.html">staticLigandFragment.h</a>.</p>
  
138 </div>138 </div>
139 </div>139 </div>
140 </div><!--·contents·-->140 </div><!--·contents·-->
141 <!--·start·footer·part·-->141 <!--·start·footer·part·-->
142 <hr·class="footer"/><address·class="footer"><small>142 <hr·class="footer"/><address·class="footer"><small>
143 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4143 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d0/d98/a08547.html">List·of·all·members</a>··</div>71 <a·href="../../d0/d98/a08547.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShortcutTableModel·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShortcutTableModel·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d6/d83/a01544_source.html">BALL/VIEW/WIDGETS/shortcutTableView.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dd/de4/a01121_source.html">BALL/VIEW/WIDGETS/shortcutTableView.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::ShortcutTableModel:</div>77 Inheritance·diagram·for·BALL::VIEW::ShortcutTableModel:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../df/d7b/a08550.png"·usemap="#BALL::VIEW::ShortcutTableModel_map"·alt=""/>80 ··<img·src="../../df/d7b/a08550.png"·usemap="#BALL::VIEW::ShortcutTableModel_map"·alt=""/>
81 ··<map·id="BALL::VIEW::ShortcutTableModel_map"·name="BALL::VIEW::ShortcutTableModel_map">81 ··<map·id="BALL::VIEW::ShortcutTableModel_map"·name="BALL::VIEW::ShortcutTableModel_map">
82 <area·href="../../d7/dff/a20298.html"·alt="QAbstractTableModel"·shape="rect"·coords="0,0,199,24"/>82 <area·href="../../d7/dff/a20298.html"·alt="QAbstractTableModel"·shape="rect"·coords="0,0,199,24"/>
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101 <tr·class="memitem:ae6963a6313be63f4af247495daaad4f0"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7b/a08550.html#ae6963a6313be63f4af247495daaad4f0">isValid</a>·(const·QKeySequence·&amp;seq)·const</td></tr>101 <tr·class="memitem:ae6963a6313be63f4af247495daaad4f0"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7b/a08550.html#ae6963a6313be63f4af247495daaad4f0">isValid</a>·(const·QKeySequence·&amp;seq)·const</td></tr>
102 <tr·class="separator:ae6963a6313be63f4af247495daaad4f0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:ae6963a6313be63f4af247495daaad4f0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 <tr·class="memitem:a9e6b0284942894a71f43f98b933856e2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7b/a08550.html#a9e6b0284942894a71f43f98b933856e2">setData</a>·(const·QModelIndex·&amp;index,·const·QVariant·&amp;<a·class="el"·href="../../df/d7b/a08550.html#a50de169d13f4e93b3aa30526a53f36b9">data</a>,·int·role=Qt::EditRole)</td></tr>103 <tr·class="memitem:a9e6b0284942894a71f43f98b933856e2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7b/a08550.html#a9e6b0284942894a71f43f98b933856e2">setData</a>·(const·QModelIndex·&amp;index,·const·QVariant·&amp;<a·class="el"·href="../../df/d7b/a08550.html#a50de169d13f4e93b3aa30526a53f36b9">data</a>,·int·role=Qt::EditRole)</td></tr>
104 <tr·class="separator:a9e6b0284942894a71f43f98b933856e2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:a9e6b0284942894a71f43f98b933856e2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 </table>105 </table>
106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
107 <div·class="textblock">107 <div·class="textblock">
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d83/a01544_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d6/d83/a01544_source.html">shortcutTableView.h</a>.</p>108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de4/a01121_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../dd/de4/a01121_source.html">shortcutTableView.h</a>.</p>
109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
110 <a·id="ad7c63a3e6ed2eb24a0d58c00f621829f"·name="ad7c63a3e6ed2eb24a0d58c00f621829f"></a>110 <a·id="ad7c63a3e6ed2eb24a0d58c00f621829f"·name="ad7c63a3e6ed2eb24a0d58c00f621829f"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#ad7c63a3e6ed2eb24a0d58c00f621829f">&#9670;&nbsp;</a></span>ShortcutTableModel()</h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#ad7c63a3e6ed2eb24a0d58c00f621829f">&#9670;&nbsp;</a></span>ShortcutTableModel()</h2>
  
112 <div·class="memitem">112 <div·class="memitem">
113 <div·class="memproto">113 <div·class="memproto">
114 ······<table·class="memname">114 ······<table·class="memname">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../d0/d64/a06535.html">List·of·all·members</a>··</div>71 <a·href="../../d0/d64/a06535.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PairExpRDFIntegrator::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PairExpRDFIntegrator::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../de/dc3/a01787_source.html">BALL/SOLVATION/pairExpRDFIntegrator.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d1/db0/a01928_source.html">BALL/SOLVATION/pairExpRDFIntegrator.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a11f68dd14acff99c12b8c0d0f25b5c5b"><td·class="memItemLeft"·align="right"·valign="top">static·const·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7e/a06538.html#a11f68dd14acff99c12b8c0d0f25b5c5b">VERBOSITY</a></td></tr>79 <tr·class="memitem:a11f68dd14acff99c12b8c0d0f25b5c5b"><td·class="memItemLeft"·align="right"·valign="top">static·const·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7e/a06538.html#a11f68dd14acff99c12b8c0d0f25b5c5b">VERBOSITY</a></td></tr>
80 <tr·class="separator:a11f68dd14acff99c12b8c0d0f25b5c5b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a11f68dd14acff99c12b8c0d0f25b5c5b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 <tr·class="memitem:a826a5af5b5c454e54f7e2bd5e7a4389e"><td·class="memItemLeft"·align="right"·valign="top">static·const·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7e/a06538.html#a826a5af5b5c454e54f7e2bd5e7a4389e">SAMPLES</a></td></tr>81 <tr·class="memitem:a826a5af5b5c454e54f7e2bd5e7a4389e"><td·class="memItemLeft"·align="right"·valign="top">static·const·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7e/a06538.html#a826a5af5b5c454e54f7e2bd5e7a4389e">SAMPLES</a></td></tr>
82 <tr·class="separator:a826a5af5b5c454e54f7e2bd5e7a4389e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a826a5af5b5c454e54f7e2bd5e7a4389e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 </table>83 </table>
84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>84 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
85 <div·class="textblock">85 <div·class="textblock">
86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dc3/a01787_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../de/dc3/a01787_source.html">pairExpRDFIntegrator.h</a>.</p>86 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/db0/a01928_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d1/db0/a01928_source.html">pairExpRDFIntegrator.h</a>.</p>
87 </div><h2·class="groupheader">Member·Data·Documentation</h2>87 </div><h2·class="groupheader">Member·Data·Documentation</h2>
88 <a·id="a826a5af5b5c454e54f7e2bd5e7a4389e"·name="a826a5af5b5c454e54f7e2bd5e7a4389e"></a>88 <a·id="a826a5af5b5c454e54f7e2bd5e7a4389e"·name="a826a5af5b5c454e54f7e2bd5e7a4389e"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#a826a5af5b5c454e54f7e2bd5e7a4389e">&#9670;&nbsp;</a></span>SAMPLES</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#a826a5af5b5c454e54f7e2bd5e7a4389e">&#9670;&nbsp;</a></span>SAMPLES</h2>
  
90 <div·class="memitem">90 <div·class="memitem">
91 <div·class="memproto">91 <div·class="memproto">
92 <table·class="mlabels">92 <table·class="mlabels">
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103 ··<td·class="mlabels-right">103 ··<td·class="mlabels-right">
104 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>104 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
105 ··</tr>105 ··</tr>
106 </table>106 </table>
107 </div><div·class="memdoc">107 </div><div·class="memdoc">
108 <p·><a·class="el"·href="../../df/d7e/a06538.html">Default</a>·number·of·samples·to·use·in·numerical·integration·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d3/d8f/a06534.html#adb89e899012b5c4942cd5f4d769a1c19">Option::SAMPLES</a>·</dd></dl>108 <p·><a·class="el"·href="../../df/d7e/a06538.html">Default</a>·number·of·samples·to·use·in·numerical·integration·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d3/d8f/a06534.html#adb89e899012b5c4942cd5f4d769a1c19">Option::SAMPLES</a>·</dd></dl>
  
109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dc3/a01787_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../de/dc3/a01787_source.html">pairExpRDFIntegrator.h</a>.</p>109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/db0/a01928_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d1/db0/a01928_source.html">pairExpRDFIntegrator.h</a>.</p>
  
110 </div>110 </div>
111 </div>111 </div>
112 <a·id="a11f68dd14acff99c12b8c0d0f25b5c5b"·name="a11f68dd14acff99c12b8c0d0f25b5c5b"></a>112 <a·id="a11f68dd14acff99c12b8c0d0f25b5c5b"·name="a11f68dd14acff99c12b8c0d0f25b5c5b"></a>
113 <h2·class="memtitle"><span·class="permalink"><a·href="#a11f68dd14acff99c12b8c0d0f25b5c5b">&#9670;&nbsp;</a></span>VERBOSITY</h2>113 <h2·class="memtitle"><span·class="permalink"><a·href="#a11f68dd14acff99c12b8c0d0f25b5c5b">&#9670;&nbsp;</a></span>VERBOSITY</h2>
  
114 <div·class="memitem">114 <div·class="memitem">
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128 ··<td·class="mlabels-right">128 ··<td·class="mlabels-right">
129 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>129 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
130 ··</tr>130 ··</tr>
131 </table>131 </table>
132 </div><div·class="memdoc">132 </div><div·class="memdoc">
133 <p·><a·class="el"·href="../../df/d7e/a06538.html">Default</a>·verbosity·level.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d3/d8f/a06534.html#a06f2a4680e4fb824a21eede8162a3e62">Option::VERBOSITY</a>·</dd></dl>133 <p·><a·class="el"·href="../../df/d7e/a06538.html">Default</a>·verbosity·level.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d3/d8f/a06534.html#a06f2a4680e4fb824a21eede8162a3e62">Option::VERBOSITY</a>·</dd></dl>
  
134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dc3/a01787_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../de/dc3/a01787_source.html">pairExpRDFIntegrator.h</a>.</p>134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/db0/a01928_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../d1/db0/a01928_source.html">pairExpRDFIntegrator.h</a>.</p>
  
135 </div>135 </div>
136 </div>136 </div>
137 </div><!--·contents·-->137 </div><!--·contents·-->
138 <!--·start·footer·part·-->138 <!--·start·footer·part·-->
139 <hr·class="footer"/><address·class="footer"><small>139 <hr·class="footer"/><address·class="footer"><small>
140 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4140 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="../../d0/dbf/a03363.html">List·of·all·members</a>··</div>70 <a·href="../../d0/dbf/a03363.html">List·of·all·members</a>··</div>
71 ··<div·class="headertitle"><div·class="title">BALL::Selectable·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>71 ··<div·class="headertitle"><div·class="title">BALL::Selectable·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
  
74 <p><code>#include·&lt;<a·class="el"·href="../../df/ddd/a01655_source.html">BALL/CONCEPT/selectable.h</a>&gt;</code></p>74 <p><code>#include·&lt;<a·class="el"·href="../../d0/dad/a00806_source.html">BALL/CONCEPT/selectable.h</a>&gt;</code></p>
75 <div·class="dynheader">75 <div·class="dynheader">
76 Inheritance·diagram·for·BALL::Selectable:</div>76 Inheritance·diagram·for·BALL::Selectable:</div>
77 <div·class="dyncontent">77 <div·class="dyncontent">
78 ·<div·class="center">78 ·<div·class="center">
79 ··<img·src="../../df/d7f/a03366.png"·usemap="#BALL::Selectable_map"·alt=""/>79 ··<img·src="../../df/d7f/a03366.png"·usemap="#BALL::Selectable_map"·alt=""/>
80 ··<map·id="BALL::Selectable_map"·name="BALL::Selectable_map">80 ··<map·id="BALL::Selectable_map"·name="BALL::Selectable_map">
81 <area·href="../../d8/deb/a03246.html"·alt="BALL::Composite"·shape="rect"·coords="368,56,542,80"/>81 <area·href="../../d8/deb/a03246.html"·alt="BALL::Composite"·shape="rect"·coords="368,56,542,80"/>
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140 <tr·class="separator:a69acf0316e7a9e32b02c23212404b438"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a69acf0316e7a9e32b02c23212404b438"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p·><a·class="el"·href="../../df/d7f/a03366.html">Selectable</a>·Concept.·<a·class="el"·href="../../df/d7f/a03366.html">Selectable</a>·implements·the·ability·of·objects·to·be·selected.·It·is·used·in·the·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·kernel·to·mark·parts·of·the·kernel·objects·for·special·operations.·In·principle,·<a·class="el"·href="../../df/d7f/a03366.html">Selectable</a>·provides·a·boolean·flag·and·defines·an·interface·to·access·this·flag.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>143 <div·class="textblock"><p·><a·class="el"·href="../../df/d7f/a03366.html">Selectable</a>·Concept.·<a·class="el"·href="../../df/d7f/a03366.html">Selectable</a>·implements·the·ability·of·objects·to·be·selected.·It·is·used·in·the·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·kernel·to·mark·parts·of·the·kernel·objects·for·special·operations.·In·principle,·<a·class="el"·href="../../df/d7f/a03366.html">Selectable</a>·provides·a·boolean·flag·and·defines·an·interface·to·access·this·flag.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
144 <p><b>Interface:</b>·Storable·</p><dl·class="section·user"><dt></dt><dd></dd></dl>144 <p><b>Interface:</b>·Storable·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
145 <dl·class="section·user"><dt></dt><dd></dd></dl>145 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/ddd/a01655_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../df/ddd/a01655_source.html">selectable.h</a>.</p>146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dad/a00806_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d0/dad/a00806_source.html">selectable.h</a>.</p>
147 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>147 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
148 <a·id="acdd1f898f5f02e18e00d5742b3872203"·name="acdd1f898f5f02e18e00d5742b3872203"></a>148 <a·id="acdd1f898f5f02e18e00d5742b3872203"·name="acdd1f898f5f02e18e00d5742b3872203"></a>
149 <h2·class="memtitle"><span·class="permalink"><a·href="#acdd1f898f5f02e18e00d5742b3872203">&#9670;&nbsp;</a></span>Selectable()·<span·class="overload">[1/2]</span></h2>149 <h2·class="memtitle"><span·class="permalink"><a·href="#acdd1f898f5f02e18e00d5742b3872203">&#9670;&nbsp;</a></span>Selectable()·<span·class="overload">[1/2]</span></h2>
  
150 <div·class="memitem">150 <div·class="memitem">
151 <div·class="memproto">151 <div·class="memproto">
152 ······<table·class="memname">152 ······<table·class="memname">
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541 ··<td·class="mlabels-right">541 ··<td·class="mlabels-right">
542 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>542 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
543 ··</tr>543 ··</tr>
544 </table>544 </table>
545 </div><div·class="memdoc">545 </div><div·class="memdoc">
546 <p·>For·faster·access·</p>546 <p·>For·faster·access·</p>
  
547 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/ddd/a01655_source.html#l00123">123</a>·of·file·<a·class="el"·href="../../df/ddd/a01655_source.html">selectable.h</a>.</p>547 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dad/a00806_source.html#l00123">123</a>·of·file·<a·class="el"·href="../../d0/dad/a00806_source.html">selectable.h</a>.</p>
  
548 </div>548 </div>
549 </div>549 </div>
550 <a·id="a76fd313f177c03df1d78fbba3ef42277"·name="a76fd313f177c03df1d78fbba3ef42277"></a>550 <a·id="a76fd313f177c03df1d78fbba3ef42277"·name="a76fd313f177c03df1d78fbba3ef42277"></a>
551 <h2·class="memtitle"><span·class="permalink"><a·href="#a76fd313f177c03df1d78fbba3ef42277">&#9670;&nbsp;</a></span>swap()</h2>551 <h2·class="memtitle"><span·class="permalink"><a·href="#a76fd313f177c03df1d78fbba3ef42277">&#9670;&nbsp;</a></span>swap()</h2>
  
552 <div·class="memitem">552 <div·class="memitem">
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614 ··</td>614 ··</td>
615 ··<td·class="mlabels-right">615 ··<td·class="mlabels-right">
616 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>616 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
617 ··</tr>617 ··</tr>
618 </table>618 </table>
619 </div><div·class="memdoc">619 </div><div·class="memdoc">
  
620 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/ddd/a01655_source.html#l00184">184</a>·of·file·<a·class="el"·href="../../df/ddd/a01655_source.html">selectable.h</a>.</p>620 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dad/a00806_source.html#l00184">184</a>·of·file·<a·class="el"·href="../../d0/dad/a00806_source.html">selectable.h</a>.</p>
  
621 </div>621 </div>
622 </div>622 </div>
623 </div><!--·contents·-->623 </div><!--·contents·-->
624 <!--·start·footer·part·-->624 <!--·start·footer·part·-->
625 <hr·class="footer"/><address·class="footer"><small>625 <hr·class="footer"/><address·class="footer"><small>
626 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4626 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../d5/da5/a07351.html">List·of·all·members</a>··</div>72 <a·href="../../d5/da5/a07351.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::File::CannotWrite·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::File::CannotWrite·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../db/dbe/a01706_source.html">BALL/SYSTEM/file.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::File::CannotWrite:</div>78 Inheritance·diagram·for·BALL::File::CannotWrite:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../df/d7f/a07354.png"·usemap="#BALL::File::CannotWrite_map"·alt=""/>81 ··<img·src="../../df/d7f/a07354.png"·usemap="#BALL::File::CannotWrite_map"·alt=""/>
82 ··<map·id="BALL::File::CannotWrite_map"·name="BALL::File::CannotWrite_map">82 ··<map·id="BALL::File::CannotWrite_map"·name="BALL::File::CannotWrite_map">
83 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>83 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p·><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·<a·class="el"·href="../../df/d7f/a07354.html">CannotWrite</a>·A·given·file·could·not·be·written,·either·because·its·not·open·or·it·has·a·wrong·open·mode.·</p>143 <div·class="textblock"><p·><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·<a·class="el"·href="../../df/d7f/a07354.html">CannotWrite</a>·A·given·file·could·not·be·written,·either·because·its·not·open·or·it·has·a·wrong·open·mode.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dbe/a01706_source.html#l00142">142</a>·of·file·<a·class="el"·href="../../db/dbe/a01706_source.html">file.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dba/a00773_source.html#l00142">142</a>·of·file·<a·class="el"·href="../../d8/dba/a00773_source.html">file.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="ab31f2077b5bf3641d393163cdc5504b2"·name="ab31f2077b5bf3641d393163cdc5504b2"></a>146 <a·id="ab31f2077b5bf3641d393163cdc5504b2"·name="ab31f2077b5bf3641d393163cdc5504b2"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#ab31f2077b5bf3641d393163cdc5504b2">&#9670;&nbsp;</a></span>CannotWrite()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#ab31f2077b5bf3641d393163cdc5504b2">&#9670;&nbsp;</a></span>CannotWrite()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
150 ······<table·class="memname">150 ······<table·class="memname">
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236 ··</td>236 ··</td>
237 ··<td·class="mlabels-right">237 ··<td·class="mlabels-right">
238 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>238 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
239 ··</tr>239 ··</tr>
240 </table>240 </table>
241 </div><div·class="memdoc">241 </div><div·class="memdoc">
  
242 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dbe/a01706_source.html#l00154">154</a>·of·file·<a·class="el"·href="../../db/dbe/a01706_source.html">file.h</a>.</p>242 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dba/a00773_source.html#l00154">154</a>·of·file·<a·class="el"·href="../../d8/dba/a00773_source.html">file.h</a>.</p>
  
243 </div>243 </div>
244 </div>244 </div>
245 </div><!--·contents·-->245 </div><!--·contents·-->
246 <!--·start·footer·part·-->246 <!--·start·footer·part·-->
247 <hr·class="footer"/><address·class="footer"><small>247 <hr·class="footer"/><address·class="footer"><small>
248 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4248 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d0/d33/a07679.html">List·of·all·members</a>··</div>71 <a·href="../../d0/d33/a07679.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PluginModel·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PluginModel·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dda/a01289_source.html">BALL/VIEW/DIALOGS/pluginDialog.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dc/d70/a01187_source.html">BALL/VIEW/DIALOGS/pluginDialog.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::PluginModel:</div>77 Inheritance·diagram·for·BALL::VIEW::PluginModel:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../df/d7f/a07682.png"·usemap="#BALL::VIEW::PluginModel_map"·alt=""/>80 ··<img·src="../../df/d7f/a07682.png"·usemap="#BALL::VIEW::PluginModel_map"·alt=""/>
81 ··<map·id="BALL::VIEW::PluginModel_map"·name="BALL::VIEW::PluginModel_map">81 ··<map·id="BALL::VIEW::PluginModel_map"·name="BALL::VIEW::PluginModel_map">
82 <area·href="../../da/d29/a20254.html"·alt="QAbstractListModel"·shape="rect"·coords="0,0,156,24"/>82 <area·href="../../da/d29/a20254.html"·alt="QAbstractListModel"·shape="rect"·coords="0,0,156,24"/>
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94 <tr·class="separator:a1d2785d8316a0ba726fc9427c2a78532"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:a1d2785d8316a0ba726fc9427c2a78532"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 <tr·class="memitem:aea6735ac738701a93dfdf26c35b0fd6d"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7f/a07682.html#aea6735ac738701a93dfdf26c35b0fd6d">pluginsLoaded</a>·()</td></tr>95 <tr·class="memitem:aea6735ac738701a93dfdf26c35b0fd6d"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7f/a07682.html#aea6735ac738701a93dfdf26c35b0fd6d">pluginsLoaded</a>·()</td></tr>
96 <tr·class="separator:aea6735ac738701a93dfdf26c35b0fd6d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:aea6735ac738701a93dfdf26c35b0fd6d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>97 </table>
98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
99 <div·class="textblock"><p·>A·wrapper·around·the·plugin·manager·that·provides·a·model·on·the·currently·loaded·plugins·</p>99 <div·class="textblock"><p·>A·wrapper·around·the·plugin·manager·that·provides·a·model·on·the·currently·loaded·plugins·</p>
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dda/a01289_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d9/dda/a01289_source.html">pluginDialog.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d70/a01187_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../dc/d70/a01187_source.html">pluginDialog.h</a>.</p>
101 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>101 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
102 <a·id="aab912e7ecd54533ac5b73addebaab18d"·name="aab912e7ecd54533ac5b73addebaab18d"></a>102 <a·id="aab912e7ecd54533ac5b73addebaab18d"·name="aab912e7ecd54533ac5b73addebaab18d"></a>
103 <h2·class="memtitle"><span·class="permalink"><a·href="#aab912e7ecd54533ac5b73addebaab18d">&#9670;&nbsp;</a></span>PluginModel()</h2>103 <h2·class="memtitle"><span·class="permalink"><a·href="#aab912e7ecd54533ac5b73addebaab18d">&#9670;&nbsp;</a></span>PluginModel()</h2>
  
104 <div·class="memitem">104 <div·class="memitem">
105 <div·class="memproto">105 <div·class="memproto">
106 <table·class="mlabels">106 <table·class="mlabels">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../d2/d8a/a04355.html">List·of·all·members</a>··</div>71 <a·href="../../d2/d8a/a04355.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordTER·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordTER·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:adde49c3084b07e772f84dabc3b1e78e8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d88/a04358.html#adde49c3084b07e772f84dabc3b1e78e8">record_type</a></td></tr>79 <tr·class="memitem:adde49c3084b07e772f84dabc3b1e78e8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d88/a04358.html#adde49c3084b07e772f84dabc3b1e78e8">record_type</a></td></tr>
80 <tr·class="separator:adde49c3084b07e772f84dabc3b1e78e8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:adde49c3084b07e772f84dabc3b1e78e8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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72 ··<div·class="headertitle"><div·class="title">proteinIterator.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">classificationModel.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
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77 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/predicate.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/>
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79 <p><a·href="../../df/d91/a00335_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../df/d91/a00335_source.html">Go·to·the·source·code·of·this·file.</a></p>
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92 Typedefs</h2></td></tr> 
93 <tr·class="memitem:a3469f880163699fe3be5aeaedc1d3c8c"><td·class="memItemLeft"·align="right"·valign="top">typedef·BidirectionalIterator&lt;·Composite,·Protein,·Composite::CompositeIterator,·ProteinIteratorTraits·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a3469f880163699fe3be5aeaedc1d3c8c">BALL::ProteinIterator</a></td></tr> 
94 <tr·class="separator:a3469f880163699fe3be5aeaedc1d3c8c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 <tr·class="memitem:ab143f7a2afa3d04ef7b63ac052fb274e"><td·class="memItemLeft"·align="right"·valign="top">typedef·ConstBidirectionalIterator&lt;·Composite,·Protein,·Composite::CompositeIterator,·ProteinIteratorTraits·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ab143f7a2afa3d04ef7b63ac052fb274e">BALL::ProteinConstIterator</a></td></tr> 
96 <tr·class="separator:ab143f7a2afa3d04ef7b63ac052fb274e"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 <tr·class="memitem:ac00623816dfa085a35e9047ce975701f"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·ProteinIterator·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ac00623816dfa085a35e9047ce975701f">BALL::ProteinReverseIterator</a></td></tr> 
98 <tr·class="separator:ac00623816dfa085a35e9047ce975701f"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
99 <tr·class="memitem:a6f712bd4e626310fb0c4dff5bba511c7"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·ProteinConstIterator·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a6f712bd4e626310fb0c4dff5bba511c7">BALL::ProteinConstReverseIterator</a></td></tr> 
100 <tr·class="separator:a6f712bd4e626310fb0c4dff5bba511c7"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
101 </table>91 </table>
102 </div><!--·contents·-->92 </div><!--·contents·-->
103 <!--·start·footer·part·-->93 <!--·start·footer·part·-->
104 <hr·class="footer"/><address·class="footer"><small>94 <hr·class="footer"/><address·class="footer"><small>
105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.495 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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73 <a·href="#pub-attribs">Public·Attributes</a>·&#124;73 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
74 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;74 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
75 <a·href="../../dd/d63/a04959.html">List·of·all·members</a>··</div>75 <a·href="../../dd/d63/a04959.html">List·of·all·members</a>··</div>
76 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::APSMatcher·Class·Reference</div></div>76 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::APSMatcher·Class·Reference</div></div>
77 </div><!--header-->77 </div><!--header-->
78 <div·class="contents">78 <div·class="contents">
  
79 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>79 <p><code>#include·&lt;<a·class="el"·href="../../d5/d16/a00029_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>
80 <table·class="memberdecls">80 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>82 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d5a/a04966.html">APSTerm</a></td></tr>83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d5a/a04966.html">APSTerm</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table><table·class="memberdecls">85 </table><table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
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162 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pro-methods"·name="pro-methods"></a>162 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pro-methods"·name="pro-methods"></a>
163 Protected·Member·Functions</h2></td></tr>163 Protected·Member·Functions</h2></td></tr>
164 <tr·class="memitem:affacfa6feb3e8daf9f2ed45edf0e7ba6"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d92/a04962.html#affacfa6feb3e8daf9f2ed45edf0e7ba6">hasBond_</a>·(<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*atom,·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*predecessor,·int·bond_type,·int·feature_number)</td></tr>164 <tr·class="memitem:affacfa6feb3e8daf9f2ed45edf0e7ba6"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d92/a04962.html#affacfa6feb3e8daf9f2ed45edf0e7ba6">hasBond_</a>·(<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*atom,·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*predecessor,·int·bond_type,·int·feature_number)</td></tr>
165 <tr·class="separator:affacfa6feb3e8daf9f2ed45edf0e7ba6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>165 <tr·class="separator:affacfa6feb3e8daf9f2ed45edf0e7ba6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
166 </table>166 </table>
167 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>167 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
168 <div·class="textblock">168 <div·class="textblock">
169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">GAFFCESParser.h</a>.</p>169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
170 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>170 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
171 <a·id="a198181de5f7ba250fea0049efc9e000e"·name="a198181de5f7ba250fea0049efc9e000e"></a>171 <a·id="a198181de5f7ba250fea0049efc9e000e"·name="a198181de5f7ba250fea0049efc9e000e"></a>
172 <h2·class="memtitle"><span·class="permalink"><a·href="#a198181de5f7ba250fea0049efc9e000e">&#9670;&nbsp;</a></span>APSType</h2>172 <h2·class="memtitle"><span·class="permalink"><a·href="#a198181de5f7ba250fea0049efc9e000e">&#9670;&nbsp;</a></span>APSType</h2>
  
173 <div·class="memitem">173 <div·class="memitem">
174 <div·class="memproto">174 <div·class="memproto">
175 ······<table·class="memname">175 ······<table·class="memname">
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214 <tr><td·class="fieldname"><a·id="a198181de5f7ba250fea0049efc9e000ea527460a9f98e4f032409e268861febdd"·name="a198181de5f7ba250fea0049efc9e000ea527460a9f98e4f032409e268861febdd"></a>NO_DELOCALIZED_BOND_TO_PARENT&#160;</td><td·class="fielddoc"></td></tr>214 <tr><td·class="fieldname"><a·id="a198181de5f7ba250fea0049efc9e000ea527460a9f98e4f032409e268861febdd"·name="a198181de5f7ba250fea0049efc9e000ea527460a9f98e4f032409e268861febdd"></a>NO_DELOCALIZED_BOND_TO_PARENT&#160;</td><td·class="fielddoc"></td></tr>
215 <tr><td·class="fieldname"><a·id="a198181de5f7ba250fea0049efc9e000ea11c97bfba529fab744e20873be33cf13"·name="a198181de5f7ba250fea0049efc9e000ea11c97bfba529fab744e20873be33cf13"></a>AROMATIC_BOND&#160;</td><td·class="fielddoc"></td></tr>215 <tr><td·class="fieldname"><a·id="a198181de5f7ba250fea0049efc9e000ea11c97bfba529fab744e20873be33cf13"·name="a198181de5f7ba250fea0049efc9e000ea11c97bfba529fab744e20873be33cf13"></a>AROMATIC_BOND&#160;</td><td·class="fielddoc"></td></tr>
216 <tr><td·class="fieldname"><a·id="a198181de5f7ba250fea0049efc9e000ea99eaee30686478d5d1799e8044ae73b6"·name="a198181de5f7ba250fea0049efc9e000ea99eaee30686478d5d1799e8044ae73b6"></a>AROMATIC_BOND_TO_PARENT&#160;</td><td·class="fielddoc"></td></tr>216 <tr><td·class="fieldname"><a·id="a198181de5f7ba250fea0049efc9e000ea99eaee30686478d5d1799e8044ae73b6"·name="a198181de5f7ba250fea0049efc9e000ea99eaee30686478d5d1799e8044ae73b6"></a>AROMATIC_BOND_TO_PARENT&#160;</td><td·class="fielddoc"></td></tr>
217 <tr><td·class="fieldname"><a·id="a198181de5f7ba250fea0049efc9e000ea5160d48f11d4ecd39c91d0e98973ecdb"·name="a198181de5f7ba250fea0049efc9e000ea5160d48f11d4ecd39c91d0e98973ecdb"></a>NO_AROMATIC_BOND_TO_PARENT&#160;</td><td·class="fielddoc"></td></tr>217 <tr><td·class="fieldname"><a·id="a198181de5f7ba250fea0049efc9e000ea5160d48f11d4ecd39c91d0e98973ecdb"·name="a198181de5f7ba250fea0049efc9e000ea5160d48f11d4ecd39c91d0e98973ecdb"></a>NO_AROMATIC_BOND_TO_PARENT&#160;</td><td·class="fielddoc"></td></tr>
218 <tr><td·class="fieldname"><a·id="a198181de5f7ba250fea0049efc9e000ea7dd3afa7f979866b40544d7467cb6aed"·name="a198181de5f7ba250fea0049efc9e000ea7dd3afa7f979866b40544d7467cb6aed"></a>APS_TRUE&#160;</td><td·class="fielddoc"></td></tr>218 <tr><td·class="fieldname"><a·id="a198181de5f7ba250fea0049efc9e000ea7dd3afa7f979866b40544d7467cb6aed"·name="a198181de5f7ba250fea0049efc9e000ea7dd3afa7f979866b40544d7467cb6aed"></a>APS_TRUE&#160;</td><td·class="fielddoc"></td></tr>
219 </table>219 </table>
  
220 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">GAFFCESParser.h</a>.</p>220 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
221 </div>221 </div>
222 </div>222 </div>
223 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>223 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
224 <a·id="aba1220d2faad2ec5772b5f6de2142475"·name="aba1220d2faad2ec5772b5f6de2142475"></a>224 <a·id="aba1220d2faad2ec5772b5f6de2142475"·name="aba1220d2faad2ec5772b5f6de2142475"></a>
225 <h2·class="memtitle"><span·class="permalink"><a·href="#aba1220d2faad2ec5772b5f6de2142475">&#9670;&nbsp;</a></span>APSMatcher()</h2>225 <h2·class="memtitle"><span·class="permalink"><a·href="#aba1220d2faad2ec5772b5f6de2142475">&#9670;&nbsp;</a></span>APSMatcher()</h2>
  
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458 ······<table·class="memname">458 ······<table·class="memname">
459 ········<tr>459 ········<tr>
460 ··········<td·class="memname">std::vector&lt;·std::vector&lt;·<a·class="el"·href="../../d6/d5a/a04966.html">APSTerm</a>&gt;·&gt;·BALL::GAFFCESParser::APSMatcher::aps_terms</td>460 ··········<td·class="memname">std::vector&lt;·std::vector&lt;·<a·class="el"·href="../../d6/d5a/a04966.html">APSTerm</a>&gt;·&gt;·BALL::GAFFCESParser::APSMatcher::aps_terms</td>
461 ········</tr>461 ········</tr>
462 ······</table>462 ······</table>
463 </div><div·class="memdoc">463 </div><div·class="memdoc">
  
464 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">GAFFCESParser.h</a>.</p>464 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
465 </div>465 </div>
466 </div>466 </div>
467 </div><!--·contents·-->467 </div><!--·contents·-->
468 <!--·start·footer·part·-->468 <!--·start·footer·part·-->
469 <hr·class="footer"/><address·class="footer"><small>469 <hr·class="footer"/><address·class="footer"><small>
470 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4470 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;71 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
72 <a·href="../../d2/d91/a07343.html">List·of·all·members</a>··</div>72 <a·href="../../d2/d91/a07343.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::TransformationManager·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d7/db7/a02198.html">Operating·system·support</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::TransformationManager·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d7/db7/a02198.html">Operating·system·support</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../db/dbe/a01706_source.html">BALL/SYSTEM/file.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
79 Public·Member·Functions</h2></td></tr>79 Public·Member·Functions</h2></td></tr>
80 <tr·class="memitem:ac3d19ff37f23d97c80d37cb9d27286e7"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d93/a07346.html#ac3d19ff37f23d97c80d37cb9d27286e7">TransformationManager</a>·()</td></tr>80 <tr·class="memitem:ac3d19ff37f23d97c80d37cb9d27286e7"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d93/a07346.html#ac3d19ff37f23d97c80d37cb9d27286e7">TransformationManager</a>·()</td></tr>
81 <tr·class="memdesc:ac3d19ff37f23d97c80d37cb9d27286e7"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Default·constructor.··<a·href="../../df/d93/a07346.html#ac3d19ff37f23d97c80d37cb9d27286e7">More...</a><br·/></td></tr>81 <tr·class="memdesc:ac3d19ff37f23d97c80d37cb9d27286e7"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Default·constructor.··<a·href="../../df/d93/a07346.html#ac3d19ff37f23d97c80d37cb9d27286e7">More...</a><br·/></td></tr>
82 <tr·class="separator:ac3d19ff37f23d97c80d37cb9d27286e7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:ac3d19ff37f23d97c80d37cb9d27286e7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:a0478ff9c526d3a85c19c8bafaa69fe2f"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d93/a07346.html#a0478ff9c526d3a85c19c8bafaa69fe2f">~TransformationManager</a>·()</td></tr>83 <tr·class="memitem:a0478ff9c526d3a85c19c8bafaa69fe2f"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d93/a07346.html#a0478ff9c526d3a85c19c8bafaa69fe2f">~TransformationManager</a>·()</td></tr>
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102 <tr·class="memdesc:a687f08919cd34466f66836dacdbd475e"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·map·containing·all·transformation·methods.··<a·href="../../df/d93/a07346.html#a687f08919cd34466f66836dacdbd475e">More...</a><br·/></td></tr>102 <tr·class="memdesc:a687f08919cd34466f66836dacdbd475e"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·map·containing·all·transformation·methods.··<a·href="../../df/d93/a07346.html#a687f08919cd34466f66836dacdbd475e">More...</a><br·/></td></tr>
103 <tr·class="separator:a687f08919cd34466f66836dacdbd475e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>103 <tr·class="separator:a687f08919cd34466f66836dacdbd475e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
104 </table>104 </table>
105 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>105 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
106 <div·class="textblock"><p·>This·class·handles·automatic·file·transformation·methods.·<a·class="el"·href="../../db/d42/a07350.html">File·</a>·provides·the·ability·to·transform·files·on·the·fly·using·predefined·transformation·commands·(e.g.·unix-style·filters).·For·example,·compressed·files·can·be·automatically·decompressed·by·calling·the·unic·<code>compress</code>·command.·The·respective·commands·are·selected·via·a·suitable·regular·expression,·usually·matching·the·file·suffix.·A·frequent·application·for·this·transformation·is·the·compressed·storage·of·<a·class="el"·href="../../d3/d10/a02226.html">PDB</a>·files·in·the·unix·compressed·format·(<code>*.Z</code>).·Transformation·manager·basically·contains·a·map·consisting·of·two·strings.·Using·<a·class="el"·href="../../">findTransformationCommand·</a>·,·<br··/>106 <div·class="textblock"><p·>This·class·handles·automatic·file·transformation·methods.·<a·class="el"·href="../../db/d42/a07350.html">File·</a>·provides·the·ability·to·transform·files·on·the·fly·using·predefined·transformation·commands·(e.g.·unix-style·filters).·For·example,·compressed·files·can·be·automatically·decompressed·by·calling·the·unic·<code>compress</code>·command.·The·respective·commands·are·selected·via·a·suitable·regular·expression,·usually·matching·the·file·suffix.·A·frequent·application·for·this·transformation·is·the·compressed·storage·of·<a·class="el"·href="../../d3/d10/a02226.html">PDB</a>·files·in·the·unix·compressed·format·(<code>*.Z</code>).·Transformation·manager·basically·contains·a·map·consisting·of·two·strings.·Using·<a·class="el"·href="../../">findTransformationCommand·</a>·,·<br··/>
107 ·<a·class="el"·href="../../db/d42/a07350.html">File·</a>·can·determine·whether·there·is·a·suitable·transformation·command·available·for·a·given·file·name.·User-defined·transformation·may·be·defined·at·any·time·using·the·<a·class="el"·href="../../df/d93/a07346.html#a5121bae121200899f758fd3952f82ff5">registerTransformation·</a>·method·of·the·static·instance·of·<a·class="el"·href="../../df/d93/a07346.html">TransformationManager·</a>·accessible·through·<a·class="el"·href="../../db/d42/a07350.html#aae5c4afbbdafc583616910706227e615">File::getTransformationManager·</a>·.·</p>107 ·<a·class="el"·href="../../db/d42/a07350.html">File·</a>·can·determine·whether·there·is·a·suitable·transformation·command·available·for·a·given·file·name.·User-defined·transformation·may·be·defined·at·any·time·using·the·<a·class="el"·href="../../df/d93/a07346.html#a5121bae121200899f758fd3952f82ff5">registerTransformation·</a>·method·of·the·static·instance·of·<a·class="el"·href="../../df/d93/a07346.html">TransformationManager·</a>·accessible·through·<a·class="el"·href="../../db/d42/a07350.html#aae5c4afbbdafc583616910706227e615">File::getTransformationManager·</a>·.·</p>
  
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dbe/a01706_source.html#l00077">77</a>·of·file·<a·class="el"·href="../../db/dbe/a01706_source.html">file.h</a>.</p>108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dba/a00773_source.html#l00077">77</a>·of·file·<a·class="el"·href="../../d8/dba/a00773_source.html">file.h</a>.</p>
109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
110 <a·id="ac3d19ff37f23d97c80d37cb9d27286e7"·name="ac3d19ff37f23d97c80d37cb9d27286e7"></a>110 <a·id="ac3d19ff37f23d97c80d37cb9d27286e7"·name="ac3d19ff37f23d97c80d37cb9d27286e7"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#ac3d19ff37f23d97c80d37cb9d27286e7">&#9670;&nbsp;</a></span>TransformationManager()</h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#ac3d19ff37f23d97c80d37cb9d27286e7">&#9670;&nbsp;</a></span>TransformationManager()</h2>
  
112 <div·class="memitem">112 <div·class="memitem">
113 <div·class="memproto">113 <div·class="memproto">
114 ······<table·class="memname">114 ······<table·class="memname">
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265 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>265 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
266 ··</tr>266 ··</tr>
267 </table>267 </table>
268 </div><div·class="memdoc">268 </div><div·class="memdoc">
  
269 <p>The·map·containing·all·transformation·methods.·</p>269 <p>The·map·containing·all·transformation·methods.·</p>
  
270 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dbe/a01706_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../db/dbe/a01706_source.html">file.h</a>.</p>270 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dba/a00773_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d8/dba/a00773_source.html">file.h</a>.</p>
  
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_bdf615705158bdb9ef48f1578bccfd92.html">PYTHON</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c153eaa5b1a7273a1076ed00b51614f.html">EXTENSIONS</a></li>··</ul>
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70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">gridedMM.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">pyColorRGBAVector.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d22/a00245_source.html">BALL/SCORING/COMMON/diffGridBasedScoring.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../dc/d92/a00929_source.html">BALL/MOLMEC/AMBER/amber.h</a>&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d6/de1/a00233_source.html">BALL/SCORING/COMPONENTS/electrostatic.h</a>&gt;</code><br·/>76 <code>#include·&lt;vector&gt;</code><br·/>
77 </div>77 </div>
78 <p><a·href="../../df/d95/a00299_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../df/d95/a00299_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">79 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>81 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d59/a06394.html">BALL::GridedMM</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d7e/a05558.html">BALL::PyColorRGBAVector</a></td></tr>
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86 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
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71 ··<div·class="headertitle"><div·class="title">parameters.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">atomVector.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d52/a00023_source.html">BALL/FORMAT/INIFile.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
75 </div>76 </div>
76 <p><a·href="../../df/d98/a00107_source.html">Go·to·the·source·code·of·this·file.</a></p>77 <p><a·href="../../df/d98/a00107_source.html">Go·to·the·source·code·of·this·file.</a></p>
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80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d34/a04078.html">BALL::Parameters</a></td></tr>81 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d59/a05062.html">BALL::AtomVector</a></td></tr>
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63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9b1ba56f93d5f2332ce0debc4bc04e32.html">SYSTEM</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">timer.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">fragmentDB.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../db/d44/a00533_source.html">BALL/KERNEL/residue.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d4/d1e/a00497_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d4/d29/a01817_source.html">BALL/STRUCTURE/reconstructFragmentProcessor.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;vector&gt;</code><br·/>
75 <code>#include·&lt;iostream&gt;</code><br·/>80 <code>#include·&lt;list&gt;</code><br·/>
76 <code>#include·&quot;timer.iC&quot;</code><br·/> 
77 </div>81 </div>
78 <p><a·href="../../df/d9a/a01715_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../df/d9a/a01715_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">83 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>85 Classes</h2></td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/ddb/a07442.html">BALL::Timer</a></td></tr>86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d89/a06862.html">BALL::FragmentDB</a></td></tr>
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 88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d03/a06866.html">BALL::FragmentDB::NoFragmentNode</a></td></tr>
 89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html">BALL::FragmentDB::NormalizeNamesProcessor</a></td></tr>
 91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dfe/a06874.html">BALL::FragmentDB::BuildBondsProcessor</a></td></tr>
 93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d27/a06878.html">BALL::FragmentDB::BuildBondsProcessor::Connection</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
86 Namespaces</h2></td></tr>98 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>99 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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70 <a·href="#pub-slots">Public·Slots</a>·&#124;70 <a·href="#pub-slots">Public·Slots</a>·&#124;
71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;71 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
72 <a·href="../../dd/d34/a07663.html">List·of·all·members</a>··</div>72 <a·href="../../dd/d34/a07663.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::NetworkPreferences·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::NetworkPreferences·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../dc/d35/a01400_source.html">BALL/VIEW/DIALOGS/networkPreferences.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d22/a01250_source.html">BALL/VIEW/DIALOGS/networkPreferences.h</a>&gt;</code></p>
77 <div·class="dynheader">77 <div·class="dynheader">
78 Inheritance·diagram·for·BALL::VIEW::NetworkPreferences:</div>78 Inheritance·diagram·for·BALL::VIEW::NetworkPreferences:</div>
79 <div·class="dyncontent">79 <div·class="dyncontent">
80 ·<div·class="center">80 ·<div·class="center">
81 ··<img·src="../../df/d9b/a07666.png"·usemap="#BALL::VIEW::NetworkPreferences_map"·alt=""/>81 ··<img·src="../../df/d9b/a07666.png"·usemap="#BALL::VIEW::NetworkPreferences_map"·alt=""/>
82 ··<map·id="BALL::VIEW::NetworkPreferences_map"·name="BALL::VIEW::NetworkPreferences_map">82 ··<map·id="BALL::VIEW::NetworkPreferences_map"·name="BALL::VIEW::NetworkPreferences_map">
83 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,202,24"/>83 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,202,24"/>
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194 </table>194 </table>
195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
196 <div·class="textblock"><p·>NeworkPreferences·is·a·widget·that·will·be·inserted·into·the·tab·dialog·<a·class="el"·href="../../dc/da1/a07694.html">Preferences</a>.·</p>196 <div·class="textblock"><p·>NeworkPreferences·is·a·widget·that·will·be·inserted·into·the·tab·dialog·<a·class="el"·href="../../dc/da1/a07694.html">Preferences</a>.·</p>
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d35/a01400_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../dc/d35/a01400_source.html">networkPreferences.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d22/a01250_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d4/d22/a01250_source.html">networkPreferences.h</a>.</p>
198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
199 <a·id="afeafa3f6254914944557a8b8d21678d5"·name="afeafa3f6254914944557a8b8d21678d5"></a>199 <a·id="afeafa3f6254914944557a8b8d21678d5"·name="afeafa3f6254914944557a8b8d21678d5"></a>
200 <h2·class="memtitle"><span·class="permalink"><a·href="#afeafa3f6254914944557a8b8d21678d5">&#9670;&nbsp;</a></span>NetworkPreferences()</h2>200 <h2·class="memtitle"><span·class="permalink"><a·href="#afeafa3f6254914944557a8b8d21678d5">&#9670;&nbsp;</a></span>NetworkPreferences()</h2>
  
201 <div·class="memitem">201 <div·class="memitem">
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203 ······<table·class="memname">203 ······<table·class="memname">
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8 <title>BALL:·peptideBuilder.h·File·Reference</title>8 <title>BALL:·hashGrid.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>·&#124;
 71 <a·href="#var-members">Variables</a>··</div>
71 ··<div·class="headertitle"><div·class="title">peptideBuilder.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">hashGrid.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d0a/a00743_source.html">BALL/STRUCTURE/peptides.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d3/d13/a00836_source.html">BALL/CONCEPT/forwardIterator.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../df/d0e/a00800_source.html">BALL/CONCEPT/visitor.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
 79 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;algorithm&gt;</code><br·/>
 81 <code>#include·&lt;forward_list&gt;</code><br·/>
75 </div>82 </div>
76 <p><a·href="../../df/d9e/a00686_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../df/d9e/a00686_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">84 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>86 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/ddf/a07002.html">BALL::Peptides::AminoAcidDescriptor</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d5e/a03502.html">BALL::HashGridBox3&lt;·Item·&gt;</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d83/a03506.html">BALL::HashGridBox3&lt;·Item·&gt;::BoxIteratorTraits</a></td></tr>
 90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d61/a03510.html">BALL::HashGridBox3&lt;·Item·&gt;::DataIteratorTraits</a></td></tr>
 92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d1d/a07006.html">BALL::Peptides::PeptideBuilder</a></td></tr>93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d70/a03498.html">BALL::HashGrid3&lt;·Item·&gt;</a></td></tr>
 94 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Three-dimensional·Hash·Grid·Class.··<a·href="../../d7/d70/a03498.html#details">More...</a><br·/></td></tr>
 95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/db6/a03514.html">BALL::HashGrid3&lt;·Item·&gt;::BoxIteratorTraits</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
84 </table><table·class="memberdecls">98 </table><table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>99 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
86 Namespaces</h2></td></tr>100 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>101 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:d7/da1/a02231"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/da1/a02231.html">BALL::Peptides</a></td></tr>103 <tr·class="memitem:db/da6/a02224"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da6/a02224.html">BALL::__private</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 105 </table><table·class="memberdecls">
 106 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="var-members"·name="var-members"></a>
 107 Variables</h2></td></tr>
 108 <tr·class="memitem:a54a51a7528439f6e784397b593cfaf93"><td·class="memItemLeft"·align="right"·valign="top">const·signed·char·<a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da6/a02224.html#a54a51a7528439f6e784397b593cfaf93">BALL::__private::neighbour_table_</a>·[27][3]</td></tr>
 109 <tr·class="separator:a54a51a7528439f6e784397b593cfaf93"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table>110 </table>
92 </div><!--·contents·-->111 </div><!--·contents·-->
93 <!--·start·footer·part·-->112 <!--·start·footer·part·-->
94 <hr·class="footer"/><address·class="footer"><small>113 <hr·class="footer"/><address·class="footer"><small>
95 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4114 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../dd/d6d/a03547.html">List·of·all·members</a>··</div>71 <a·href="../../dd/d6d/a03547.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::HashSet&lt;·Key·&gt;::IllegalKey·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::HashSet&lt;·Key·&gt;::IllegalKey·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/d7d/a01880_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::HashSet&lt;·Key·&gt;::IllegalKey:</div>77 Inheritance·diagram·for·BALL::HashSet&lt;·Key·&gt;::IllegalKey:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../df/dab/a03550.png"·usemap="#BALL::HashSet_3C_20Key_20_3E::IllegalKey_map"·alt=""/>80 ··<img·src="../../df/dab/a03550.png"·usemap="#BALL::HashSet_3C_20Key_20_3E::IllegalKey_map"·alt=""/>
81 ··<map·id="BALL::HashSet_3C_20Key_20_3E::IllegalKey_map"·name="BALL::HashSet_3C_20Key_20_3E::IllegalKey_map">81 ··<map·id="BALL::HashSet_3C_20Key_20_3E::IllegalKey_map"·name="BALL::HashSet_3C_20Key_20_3E::IllegalKey_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·Key&gt;<br·/>136 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·Key&gt;<br·/>
137 class·BALL::HashSet&lt;·Key·&gt;::IllegalKey</div><p·>Illegal·key·exception.·Thrown·if·access·to·a·non-existent·key·is·required·by·the·constant·version·of·<a·class="el"·href="../../">operator·[]·</a>·.·</p>137 class·BALL::HashSet&lt;·Key·&gt;::IllegalKey</div><p·>Illegal·key·exception.·Thrown·if·access·to·a·non-existent·key·is·required·by·the·constant·version·of·<a·class="el"·href="../../">operator·[]·</a>·.·</p>
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7d/a01880_source.html#l00263">263</a>·of·file·<a·class="el"·href="../../d9/d7d/a01880_source.html">hashSet.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a00680_source.html#l00263">263</a>·of·file·<a·class="el"·href="../../d4/d9b/a00680_source.html">hashSet.h</a>.</p>
139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
140 <a·id="a7b985ceac475a84b15ef0f92c3ff78da"·name="a7b985ceac475a84b15ef0f92c3ff78da"></a>140 <a·id="a7b985ceac475a84b15ef0f92c3ff78da"·name="a7b985ceac475a84b15ef0f92c3ff78da"></a>
141 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b985ceac475a84b15ef0f92c3ff78da">&#9670;&nbsp;</a></span>IllegalKey()</h2>141 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b985ceac475a84b15ef0f92c3ff78da">&#9670;&nbsp;</a></span>IllegalKey()</h2>
  
142 <div·class="memitem">142 <div·class="memitem">
143 <div·class="memproto">143 <div·class="memproto">
144 <div·class="memtemplate">144 <div·class="memtemplate">
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170 ··</td>170 ··</td>
171 ··<td·class="mlabels-right">171 ··<td·class="mlabels-right">
172 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>172 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
173 ··</tr>173 ··</tr>
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176 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7d/a01880_source.html#l00267">267</a>·of·file·<a·class="el"·href="../../d9/d7d/a01880_source.html">hashSet.h</a>.</p>176 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a00680_source.html#l00267">267</a>·of·file·<a·class="el"·href="../../d4/d9b/a00680_source.html">hashSet.h</a>.</p>
  
177 </div>177 </div>
178 </div>178 </div>
179 </div><!--·contents·-->179 </div><!--·contents·-->
180 <!--·start·footer·part·-->180 <!--·start·footer·part·-->
181 <hr·class="footer"/><address·class="footer"><small>181 <hr·class="footer"/><address·class="footer"><small>
182 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4182 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../db/dba/a07779.html">List·of·all·members</a>··</div>71 <a·href="../../db/dba/a07779.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TransformationEvent6D·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TransformationEvent6D·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/dd5/a01244_source.html">BALL/VIEW/INPUT/transformationEvent6D.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../db/dec/a01337_source.html">BALL/VIEW/INPUT/transformationEvent6D.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::TransformationEvent6D:</div>77 Inheritance·diagram·for·BALL::VIEW::TransformationEvent6D:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../df/db3/a07782.png"·usemap="#BALL::VIEW::TransformationEvent6D_map"·alt=""/>80 ··<img·src="../../df/db3/a07782.png"·usemap="#BALL::VIEW::TransformationEvent6D_map"·alt=""/>
81 ··<map·id="BALL::VIEW::TransformationEvent6D_map"·name="BALL::VIEW::TransformationEvent6D_map">81 ··<map·id="BALL::VIEW::TransformationEvent6D_map"·name="BALL::VIEW::TransformationEvent6D_map">
82 <area·href="../../dc/dbf/a07754.html"·alt="BALL::VIEW::DeviceEvent"·shape="rect"·coords="0,56,218,80"/>82 <area·href="../../dc/dbf/a07754.html"·alt="BALL::VIEW::DeviceEvent"·shape="rect"·coords="0,56,218,80"/>
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97 <tr·class="memitem:ad4a190d3316f5f7ff80708e371d57fac·inherit·pub_methods_a07754"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbf/a07754.html#ad4a190d3316f5f7ff80708e371d57fac">DeviceEvent</a>·(<a·class="el"·href="../../d4/dc0/a02225.html#aa2fca1fc37bdacf153845f4158b97baa">EventsIDs</a>·type,·<a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*device)</td></tr>97 <tr·class="memitem:ad4a190d3316f5f7ff80708e371d57fac·inherit·pub_methods_a07754"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbf/a07754.html#ad4a190d3316f5f7ff80708e371d57fac">DeviceEvent</a>·(<a·class="el"·href="../../d4/dc0/a02225.html#aa2fca1fc37bdacf153845f4158b97baa">EventsIDs</a>·type,·<a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*device)</td></tr>
98 <tr·class="separator:ad4a190d3316f5f7ff80708e371d57fac·inherit·pub_methods_a07754"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:ad4a190d3316f5f7ff80708e371d57fac·inherit·pub_methods_a07754"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 <tr·class="memitem:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbf/a07754.html#a9782e224d9fccb38e5e600ef01fe35a7">getDevice</a>·()</td></tr>99 <tr·class="memitem:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbf/a07754.html#a9782e224d9fccb38e5e600ef01fe35a7">getDevice</a>·()</td></tr>
100 <tr·class="separator:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 </table>101 </table>
102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
103 <div·class="textblock">103 <div·class="textblock">
104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd5/a01244_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../d4/dd5/a01244_source.html">transformationEvent6D.h</a>.</p>104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dec/a01337_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../db/dec/a01337_source.html">transformationEvent6D.h</a>.</p>
105 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>105 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
106 <a·id="a127a7bf69b88466ecfb11aaed80fcaa5"·name="a127a7bf69b88466ecfb11aaed80fcaa5"></a>106 <a·id="a127a7bf69b88466ecfb11aaed80fcaa5"·name="a127a7bf69b88466ecfb11aaed80fcaa5"></a>
107 <h2·class="memtitle"><span·class="permalink"><a·href="#a127a7bf69b88466ecfb11aaed80fcaa5">&#9670;&nbsp;</a></span>TransformationEvent6D()</h2>107 <h2·class="memtitle"><span·class="permalink"><a·href="#a127a7bf69b88466ecfb11aaed80fcaa5">&#9670;&nbsp;</a></span>TransformationEvent6D()</h2>
  
108 <div·class="memitem">108 <div·class="memitem">
109 <div·class="memproto">109 <div·class="memproto">
110 ······<table·class="memname">110 ······<table·class="memname">
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181 ··</td>181 ··</td>
182 ··<td·class="mlabels-right">182 ··<td·class="mlabels-right">
183 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>183 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
184 ··</tr>184 ··</tr>
185 </table>185 </table>
186 </div><div·class="memdoc">186 </div><div·class="memdoc">
  
187 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd5/a01244_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d4/dd5/a01244_source.html">transformationEvent6D.h</a>.</p>187 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dec/a01337_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../db/dec/a01337_source.html">transformationEvent6D.h</a>.</p>
  
188 </div>188 </div>
189 </div>189 </div>
190 <a·id="ac16ae03d064187facc3afd6990956a3d"·name="ac16ae03d064187facc3afd6990956a3d"></a>190 <a·id="ac16ae03d064187facc3afd6990956a3d"·name="ac16ae03d064187facc3afd6990956a3d"></a>
191 <h2·class="memtitle"><span·class="permalink"><a·href="#ac16ae03d064187facc3afd6990956a3d">&#9670;&nbsp;</a></span>getTranslation()</h2>191 <h2·class="memtitle"><span·class="permalink"><a·href="#ac16ae03d064187facc3afd6990956a3d">&#9670;&nbsp;</a></span>getTranslation()</h2>
  
192 <div·class="memitem">192 <div·class="memitem">
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208 ··</td>208 ··</td>
209 ··<td·class="mlabels-right">209 ··<td·class="mlabels-right">
210 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>210 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
211 ··</tr>211 ··</tr>
212 </table>212 </table>
213 </div><div·class="memdoc">213 </div><div·class="memdoc">
  
214 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd5/a01244_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d4/dd5/a01244_source.html">transformationEvent6D.h</a>.</p>214 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dec/a01337_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../db/dec/a01337_source.html">transformationEvent6D.h</a>.</p>
  
215 </div>215 </div>
216 </div>216 </div>
217 </div><!--·contents·-->217 </div><!--·contents·-->
218 <!--·start·footer·part·-->218 <!--·start·footer·part·-->
219 <hr·class="footer"/><address·class="footer"><small>219 <hr·class="footer"/><address·class="footer"><small>
220 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4220 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d3/dbd/a03075.html">List·of·all·members</a>··</div>71 <a·href="../../d3/dbd/a03075.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Exception::OutOfRange·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Exception::OutOfRange·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d9/df0/a20332_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Exception::OutOfRange:</div>77 Inheritance·diagram·for·BALL::Exception::OutOfRange:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../df/db9/a03078.png"·usemap="#BALL::Exception::OutOfRange_map"·alt=""/>80 ··<img·src="../../df/db9/a03078.png"·usemap="#BALL::Exception::OutOfRange_map"·alt=""/>
81 ··<map·id="BALL::Exception::OutOfRange_map"·name="BALL::Exception::OutOfRange_map">81 ··<map·id="BALL::Exception::OutOfRange_map"·name="BALL::Exception::OutOfRange_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
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134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>Out·of·range.·Use·this·exception·to·indicate·that·a·given·value·is·out·of·a·defined·range,·i.·e.·not·within·the·domain·of·a·function.·</p>136 <div·class="textblock"><p·>Out·of·range.·Use·this·exception·to·indicate·that·a·given·value·is·out·of·a·defined·range,·i.·e.·not·within·the·domain·of·a·function.·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df0/a20332_source.html#l00217">217</a>·of·file·<a·class="el"·href="../../d9/df0/a20332_source.html">COMMON/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00217">217</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="a9e5c46f7ed193dc8af7b554a8877d40b"·name="a9e5c46f7ed193dc8af7b554a8877d40b"></a>139 <a·id="a9e5c46f7ed193dc8af7b554a8877d40b"·name="a9e5c46f7ed193dc8af7b554a8877d40b"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a9e5c46f7ed193dc8af7b554a8877d40b">&#9670;&nbsp;</a></span>OutOfRange()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a9e5c46f7ed193dc8af7b554a8877d40b">&#9670;&nbsp;</a></span>OutOfRange()</h2>
  
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71 ··<div·class="headertitle"><div·class="title">residueChecker.h·File·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">regularExpression.h·File·Reference</div></div>
72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/MATHS/common.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;boost/regex.h&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d6/d18/a01925_source.html">BALL/DATATYPE/bitVector.h</a>&gt;</code><br·/>77 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 78 <code>#include·&lt;BALL/DATATYPE/regularExpression.iC&gt;</code><br·/>
78 </div>79 </div>
79 <p><a·href="../../df/dbb/a00698_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../df/dbb/a00698_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">81 <table·class="memberdecls">
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82 Classes</h2></td></tr>83 Classes</h2></td></tr>
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87 Namespaces</h2></td></tr>88 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>89 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 93 Macros</h2></td></tr>
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 97 <h2·class="groupheader">Macro·Definition·Documentation</h2>
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 99 <h2·class="memtitle"><span·class="permalink"><a·href="#a09d4f80eb138444122cb0b60520e5e85">&#9670;&nbsp;</a></span>BALL_REGULAR_EXPRESSION_DEFAULT_PATTERN</h2>
  
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 108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dbb/a00698_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../df/dbb/a00698_source.html">regularExpression.h</a>.</p>
  
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72 </div><!--header-->73 </div><!--header-->
73 <div·class="contents">74 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>
75 <code>#include·&lt;<a·class="el"·href="../../d7/d00/a00401_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/> 
76 <code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
77 </div>77 </div>
78 <p><a·href="../../df/dbc/a01004_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../df/dbc/a01004_source.html">Go·to·the·source·code·of·this·file.</a></p>
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86 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 89 <tr·class="memitem:d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 91 </table><table·class="memberdecls">
 92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
 93 Typedefs</h2></td></tr>
 94 <tr·class="memitem:a4a3efc4f70d893edd52b9a423e2e099f"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::list&lt;·GeometricObject·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html#a4a3efc4f70d893edd52b9a423e2e099f">BALL::VIEW::GeometricObjectList</a></td></tr>
 95 <tr·class="separator:a4a3efc4f70d893edd52b9a423e2e099f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table>96 </table>
90 </div><!--·contents·-->97 </div><!--·contents·-->
91 <!--·start·footer·part·-->98 <!--·start·footer·part·-->
92 <hr·class="footer"/><address·class="footer"><small>99 <hr·class="footer"/><address·class="footer"><small>
93 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4100 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
94 </small></address>101 </small></address>
95 </body>102 </body>
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128 ········<tr>128 ········<tr>
129 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·<a·class="el"·href="../../df/dbf/a02161.html#gaa649a1311071bb1ec10fced6556f62d5">BALL::Coefficients</a></td>129 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·<a·class="el"·href="../../df/dbf/a02161.html#gaa649a1311071bb1ec10fced6556f62d5">BALL::Coefficients</a></td>
130 ········</tr>130 ········</tr>
131 ······</table>131 ······</table>
132 </div><div·class="memdoc">132 </div><div·class="memdoc">
133 <p·>Every·piece·of·a·piecewise·function·needs·a·bunch·of·coefficients·</p>133 <p·>Every·piece·of·a·piecewise·function·needs·a·bunch·of·coefficients·</p>
  
134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfc/a01814_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d6/dfc/a01814_source.html">piecewiseFunction.h</a>.</p>134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/da8/a00230_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d1/da8/a00230_source.html">piecewiseFunction.h</a>.</p>
  
135 </div>135 </div>
136 </div>136 </div>
137 <h2·class="groupheader">Function·Documentation</h2>137 <h2·class="groupheader">Function·Documentation</h2>
138 <a·id="ga1ee19dfaf4aa4bcab733c3335a9117b4"·name="ga1ee19dfaf4aa4bcab733c3335a9117b4"></a>138 <a·id="ga1ee19dfaf4aa4bcab733c3335a9117b4"·name="ga1ee19dfaf4aa4bcab733c3335a9117b4"></a>
139 <h2·class="memtitle"><span·class="permalink"><a·href="#ga1ee19dfaf4aa4bcab733c3335a9117b4">&#9670;&nbsp;</a></span>ParsedFunction()·<span·class="overload">[1/3]</span></h2>139 <h2·class="memtitle"><span·class="permalink"><a·href="#ga1ee19dfaf4aa4bcab733c3335a9117b4">&#9670;&nbsp;</a></span>ParsedFunction()·<span·class="overload">[1/3]</span></h2>
  
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149 ··········<td·class="memname"><a·class="el"·href="../../d5/d8e/a04874.html">BALL::ParsedFunction</a>&lt;·arg·&gt;::ParsedFunction</td>149 ··········<td·class="memname"><a·class="el"·href="../../d5/d8e/a04874.html">BALL::ParsedFunction</a>&lt;·arg·&gt;::ParsedFunction</td>
150 ········</tr>150 ········</tr>
151 ······</table>151 ······</table>
152 </div><div·class="memdoc">152 </div><div·class="memdoc">
  
153 <p>Default·constructor.·</p>153 <p>Default·constructor.·</p>
  
154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d66/a01856_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../da/d66/a01856_source.html">parsedFunction.h</a>.</p>154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d03/a00254_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../d7/d03/a00254_source.html">parsedFunction.h</a>.</p>
  
155 </div>155 </div>
156 </div>156 </div>
157 <a·id="ga1e13c037a596aba2b642895671e9b558"·name="ga1e13c037a596aba2b642895671e9b558"></a>157 <a·id="ga1e13c037a596aba2b642895671e9b558"·name="ga1e13c037a596aba2b642895671e9b558"></a>
158 <h2·class="memtitle"><span·class="permalink"><a·href="#ga1e13c037a596aba2b642895671e9b558">&#9670;&nbsp;</a></span>ParsedFunction()·<span·class="overload">[2/3]</span></h2>158 <h2·class="memtitle"><span·class="permalink"><a·href="#ga1e13c037a596aba2b642895671e9b558">&#9670;&nbsp;</a></span>ParsedFunction()·<span·class="overload">[2/3]</span></h2>
  
159 <div·class="memitem">159 <div·class="memitem">
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173 ··········<td></td>173 ··········<td></td>
174 ········</tr>174 ········</tr>
175 ······</table>175 ······</table>
176 </div><div·class="memdoc">176 </div><div·class="memdoc">
  
177 <p>Copy·constructor.·</p>177 <p>Copy·constructor.·</p>
  
178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d66/a01856_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../da/d66/a01856_source.html">parsedFunction.h</a>.</p>178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d03/a00254_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../d7/d03/a00254_source.html">parsedFunction.h</a>.</p>
  
179 </div>179 </div>
180 </div>180 </div>
181 <a·id="ga96840ed35b8f1d01231d242a8e2aeeea"·name="ga96840ed35b8f1d01231d242a8e2aeeea"></a>181 <a·id="ga96840ed35b8f1d01231d242a8e2aeeea"·name="ga96840ed35b8f1d01231d242a8e2aeeea"></a>
182 <h2·class="memtitle"><span·class="permalink"><a·href="#ga96840ed35b8f1d01231d242a8e2aeeea">&#9670;&nbsp;</a></span>ParsedFunction()·<span·class="overload">[3/3]</span></h2>182 <h2·class="memtitle"><span·class="permalink"><a·href="#ga96840ed35b8f1d01231d242a8e2aeeea">&#9670;&nbsp;</a></span>ParsedFunction()·<span·class="overload">[3/3]</span></h2>
  
183 <div·class="memitem">183 <div·class="memitem">
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197 ··········<td></td>197 ··········<td></td>
198 ········</tr>198 ········</tr>
199 ······</table>199 ······</table>
200 </div><div·class="memdoc">200 </div><div·class="memdoc">
  
201 <p>Detailed·constructor.·</p>201 <p>Detailed·constructor.·</p>
  
202 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d66/a01856_source.html#l00098">98</a>·of·file·<a·class="el"·href="../../da/d66/a01856_source.html">parsedFunction.h</a>.</p>202 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d03/a00254_source.html#l00098">98</a>·of·file·<a·class="el"·href="../../d7/d03/a00254_source.html">parsedFunction.h</a>.</p>
  
203 </div>203 </div>
204 </div>204 </div>
205 <a·id="gaa2415eee3f9a99c803caf4dda4ed6187"·name="gaa2415eee3f9a99c803caf4dda4ed6187"></a>205 <a·id="gaa2415eee3f9a99c803caf4dda4ed6187"·name="gaa2415eee3f9a99c803caf4dda4ed6187"></a>
206 <h2·class="memtitle"><span·class="permalink"><a·href="#gaa2415eee3f9a99c803caf4dda4ed6187">&#9670;&nbsp;</a></span>~ParsedFunction()</h2>206 <h2·class="memtitle"><span·class="permalink"><a·href="#gaa2415eee3f9a99c803caf4dda4ed6187">&#9670;&nbsp;</a></span>~ParsedFunction()</h2>
  
207 <div·class="memitem">207 <div·class="memitem">
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217 ··········<td·class="memname"><a·class="el"·href="../../d5/d8e/a04874.html">BALL::ParsedFunction</a>&lt;·arg·&gt;::~<a·class="el"·href="../../d5/d8e/a04874.html">ParsedFunction</a></td>217 ··········<td·class="memname"><a·class="el"·href="../../d5/d8e/a04874.html">BALL::ParsedFunction</a>&lt;·arg·&gt;::~<a·class="el"·href="../../d5/d8e/a04874.html">ParsedFunction</a></td>
218 ········</tr>218 ········</tr>
219 ······</table>219 ······</table>
220 </div><div·class="memdoc">220 </div><div·class="memdoc">
  
221 <p>Destructor.·</p>221 <p>Destructor.·</p>
  
222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d66/a01856_source.html#l00116">116</a>·of·file·<a·class="el"·href="../../da/d66/a01856_source.html">parsedFunction.h</a>.</p>222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d03/a00254_source.html#l00116">116</a>·of·file·<a·class="el"·href="../../d7/d03/a00254_source.html">parsedFunction.h</a>.</p>
  
223 </div>223 </div>
224 </div>224 </div>
225 <a·id="ga1cece59ce93d2f5c285433661cc61b64"·name="ga1cece59ce93d2f5c285433661cc61b64"></a>225 <a·id="ga1cece59ce93d2f5c285433661cc61b64"·name="ga1cece59ce93d2f5c285433661cc61b64"></a>
226 <h2·class="memtitle"><span·class="permalink"><a·href="#ga1cece59ce93d2f5c285433661cc61b64">&#9670;&nbsp;</a></span>initTable()</h2>226 <h2·class="memtitle"><span·class="permalink"><a·href="#ga1cece59ce93d2f5c285433661cc61b64">&#9670;&nbsp;</a></span>initTable()</h2>
  
227 <div·class="memitem">227 <div·class="memitem">
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236 ········<tr>236 ········<tr>
237 ··········<td·class="memname">void·<a·class="el"·href="../../d5/d8e/a04874.html">BALL::ParsedFunction</a>&lt;·arg·&gt;::initTable</td>237 ··········<td·class="memname">void·<a·class="el"·href="../../d5/d8e/a04874.html">BALL::ParsedFunction</a>&lt;·arg·&gt;::initTable</td>
238 ········</tr>238 ········</tr>
239 ······</table>239 ······</table>
240 </div><div·class="memdoc">240 </div><div·class="memdoc">
241 <p·>This·function·initializes·the·function·table·and·the·constant·table·of·our·parser.·</p>241 <p·>This·function·initializes·the·function·table·and·the·constant·table·of·our·parser.·</p>
  
242 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d66/a01856_source.html#l00140">140</a>·of·file·<a·class="el"·href="../../da/d66/a01856_source.html">parsedFunction.h</a>.</p>242 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d03/a00254_source.html#l00140">140</a>·of·file·<a·class="el"·href="../../d7/d03/a00254_source.html">parsedFunction.h</a>.</p>
  
243 </div>243 </div>
244 </div>244 </div>
245 <a·id="gabb7b065611b287419d3727d3accf230f"·name="gabb7b065611b287419d3727d3accf230f"></a>245 <a·id="gabb7b065611b287419d3727d3accf230f"·name="gabb7b065611b287419d3727d3accf230f"></a>
246 <h2·class="memtitle"><span·class="permalink"><a·href="#gabb7b065611b287419d3727d3accf230f">&#9670;&nbsp;</a></span>operator()()</h2>246 <h2·class="memtitle"><span·class="permalink"><a·href="#gabb7b065611b287419d3727d3accf230f">&#9670;&nbsp;</a></span>operator()()</h2>
  
247 <div·class="memitem">247 <div·class="memitem">
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264 <p·>Evaluate·the·function·at·point·<img·class="formulaInl"·alt="$p$"·src="../../form_31.png"·width="8"·height="9"/>.·</p><dl·class="exception"><dt>Exceptions</dt><dd>264 <p·>Evaluate·the·function·at·point·<img·class="formulaInl"·alt="$p$"·src="../../form_31.png"·width="8"·height="9"/>.·</p><dl·class="exception"><dt>Exceptions</dt><dd>
265 ··<table·class="exception">265 ··<table·class="exception">
266 ····<tr><td·class="paramname"><a·class="el"·href="../../d7/d66/a03134.html">Exception::ParseError</a></td><td>if·a·syntax·error·was·encountered·</td></tr>266 ····<tr><td·class="paramname"><a·class="el"·href="../../d7/d66/a03134.html">Exception::ParseError</a></td><td>if·a·syntax·error·was·encountered·</td></tr>
267 ··</table>267 ··</table>
268 ··</dd>268 ··</dd>
269 </dl>269 </dl>
  
270 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d66/a01856_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../da/d66/a01856_source.html">parsedFunction.h</a>.</p>270 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d03/a00254_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../d7/d03/a00254_source.html">parsedFunction.h</a>.</p>
  
271 </div>271 </div>
272 </div>272 </div>
273 <h2·class="groupheader">Variable·Documentation</h2>273 <h2·class="groupheader">Variable·Documentation</h2>
274 <a·id="gab4963154357f64fd5ee363008e801f8b"·name="gab4963154357f64fd5ee363008e801f8b"></a>274 <a·id="gab4963154357f64fd5ee363008e801f8b"·name="gab4963154357f64fd5ee363008e801f8b"></a>
275 <h2·class="memtitle"><span·class="permalink"><a·href="#gab4963154357f64fd5ee363008e801f8b">&#9670;&nbsp;</a></span>ParsedFunctionConstants</h2>275 <h2·class="memtitle"><span·class="permalink"><a·href="#gab4963154357f64fd5ee363008e801f8b">&#9670;&nbsp;</a></span>ParsedFunctionConstants</h2>
  
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73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;73 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;74 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
75 <a·href="../../d7/d68/a07491.html">List·of·all·members</a>··</div>75 <a·href="../../d7/d68/a07491.html">List·of·all·members</a>··</div>
76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TrajectoryController·Class·Reference</div></div>76 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TrajectoryController·Class·Reference</div></div>
77 </div><!--header-->77 </div><!--header-->
78 <div·class="contents">78 <div·class="contents">
  
79 <p><code>#include·&lt;<a·class="el"·href="../../dc/d47/a01487_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code></p>79 <p><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code></p>
80 <div·class="dynheader">80 <div·class="dynheader">
81 Inheritance·diagram·for·BALL::VIEW::TrajectoryController:</div>81 Inheritance·diagram·for·BALL::VIEW::TrajectoryController:</div>
82 <div·class="dyncontent">82 <div·class="dyncontent">
83 ·<div·class="center">83 ·<div·class="center">
84 ··<img·src="../../df/dbf/a07494.png"·usemap="#BALL::VIEW::TrajectoryController_map"·alt=""/>84 ··<img·src="../../df/dbf/a07494.png"·usemap="#BALL::VIEW::TrajectoryController_map"·alt=""/>
85 ··<map·id="BALL::VIEW::TrajectoryController_map"·name="BALL::VIEW::TrajectoryController_map">85 ··<map·id="BALL::VIEW::TrajectoryController_map"·name="BALL::VIEW::TrajectoryController_map">
86 <area·href="../../de/dbd/a07482.html"·alt="BALL::VIEW::DatasetController"·shape="rect"·coords="105,56,305,80"/>86 <area·href="../../de/dbd/a07482.html"·alt="BALL::VIEW::DatasetController"·shape="rect"·coords="105,56,305,80"/>
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251 <tr·class="separator:a46b0de6e9bcfec3956c84916735c3bf8·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>251 <tr·class="separator:a46b0de6e9bcfec3956c84916735c3bf8·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
252 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>252 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>
253 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>253 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
254 </table>254 </table>
255 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>255 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
256 <div·class="textblock"><p·>Controller·base·class·for·one·type·of·<a·class="el"·href="../../dd/d74/a07478.html">Dataset</a>·</p>256 <div·class="textblock"><p·>Controller·base·class·for·one·type·of·<a·class="el"·href="../../dd/d74/a07478.html">Dataset</a>·</p>
  
257 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d47/a01487_source.html#l00146">146</a>·of·file·<a·class="el"·href="../../dc/d47/a01487_source.html">standardDatasets.h</a>.</p>257 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00146">146</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
258 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>258 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
259 <a·id="a4cfde5ef6df33524ea309db9b6d57b68"·name="a4cfde5ef6df33524ea309db9b6d57b68"></a>259 <a·id="a4cfde5ef6df33524ea309db9b6d57b68"·name="a4cfde5ef6df33524ea309db9b6d57b68"></a>
260 <h2·class="memtitle"><span·class="permalink"><a·href="#a4cfde5ef6df33524ea309db9b6d57b68">&#9670;&nbsp;</a></span>TrajectoryController()·<span·class="overload">[1/2]</span></h2>260 <h2·class="memtitle"><span·class="permalink"><a·href="#a4cfde5ef6df33524ea309db9b6d57b68">&#9670;&nbsp;</a></span>TrajectoryController()·<span·class="overload">[1/2]</span></h2>
  
261 <div·class="memitem">261 <div·class="memitem">
262 <div·class="memproto">262 <div·class="memproto">
263 ······<table·class="memname">263 ······<table·class="memname">
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571 ··</td>571 ··</td>
572 ··<td·class="mlabels-right">572 ··<td·class="mlabels-right">
573 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>573 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
574 ··</tr>574 ··</tr>
575 </table>575 </table>
576 </div><div·class="memdoc">576 </div><div·class="memdoc">
  
577 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d47/a01487_source.html#l00192">192</a>·of·file·<a·class="el"·href="../../dc/d47/a01487_source.html">standardDatasets.h</a>.</p>577 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00192">192</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
  
578 </div>578 </div>
579 </div>579 </div>
580 <a·id="a2e5d2f26fea6481565653e88c5f9d717"·name="a2e5d2f26fea6481565653e88c5f9d717"></a>580 <a·id="a2e5d2f26fea6481565653e88c5f9d717"·name="a2e5d2f26fea6481565653e88c5f9d717"></a>
581 <h2·class="memtitle"><span·class="permalink"><a·href="#a2e5d2f26fea6481565653e88c5f9d717">&#9670;&nbsp;</a></span>type</h2>581 <h2·class="memtitle"><span·class="permalink"><a·href="#a2e5d2f26fea6481565653e88c5f9d717">&#9670;&nbsp;</a></span>type</h2>
  
582 <div·class="memitem">582 <div·class="memitem">
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595 ··</td>595 ··</td>
596 ··<td·class="mlabels-right">596 ··<td·class="mlabels-right">
597 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>597 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
598 ··</tr>598 ··</tr>
599 </table>599 </table>
600 </div><div·class="memdoc">600 </div><div·class="memdoc">
  
601 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d47/a01487_source.html#l00179">179</a>·of·file·<a·class="el"·href="../../dc/d47/a01487_source.html">standardDatasets.h</a>.</p>601 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00179">179</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
  
602 </div>602 </div>
603 </div>603 </div>
604 </div><!--·contents·-->604 </div><!--·contents·-->
605 <!--·start·footer·part·-->605 <!--·start·footer·part·-->
606 <hr·class="footer"/><address·class="footer"><small>606 <hr·class="footer"/><address·class="footer"><small>
607 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4607 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;70 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
71 <a·href="../../d9/d65/a06711.html">List·of·all·members</a>··</div>71 <a·href="../../d9/d65/a06711.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::AStarBondOrderStrategy::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::AStarBondOrderStrategy::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d6/dfa/a00626_source.html">BALL/STRUCTURE/BONDORDERS/AStarBondOrderStrategy.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../dd/d08/a01682_source.html">BALL/STRUCTURE/BONDORDERS/AStarBondOrderStrategy.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
78 Static·Public·Attributes</h2></td></tr>78 Static·Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a0914ca018263f2823a0e653377656291"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dc1/a06714.html#a0914ca018263f2823a0e653377656291">HEURISTIC</a></td></tr>79 <tr·class="memitem:a0914ca018263f2823a0e653377656291"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dc1/a06714.html#a0914ca018263f2823a0e653377656291">HEURISTIC</a></td></tr>
80 <tr·class="separator:a0914ca018263f2823a0e653377656291"><td·class="memSeparator"·colspan="2">&#160;</td></tr>80 <tr·class="separator:a0914ca018263f2823a0e653377656291"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
81 </table>81 </table>
82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>82 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
83 <div·class="textblock">83 <div·class="textblock">
84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfa/a00626_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d6/dfa/a00626_source.html">AStarBondOrderStrategy.h</a>.</p>84 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">AStarBondOrderStrategy.h</a>.</p>
85 </div><h2·class="groupheader">Member·Data·Documentation</h2>85 </div><h2·class="groupheader">Member·Data·Documentation</h2>
86 <a·id="a0914ca018263f2823a0e653377656291"·name="a0914ca018263f2823a0e653377656291"></a>86 <a·id="a0914ca018263f2823a0e653377656291"·name="a0914ca018263f2823a0e653377656291"></a>
87 <h2·class="memtitle"><span·class="permalink"><a·href="#a0914ca018263f2823a0e653377656291">&#9670;&nbsp;</a></span>HEURISTIC</h2>87 <h2·class="memtitle"><span·class="permalink"><a·href="#a0914ca018263f2823a0e653377656291">&#9670;&nbsp;</a></span>HEURISTIC</h2>
  
88 <div·class="memitem">88 <div·class="memitem">
89 <div·class="memproto">89 <div·class="memproto">
90 <table·class="mlabels">90 <table·class="mlabels">
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100 ··</td>100 ··</td>
101 ··<td·class="mlabels-right">101 ··<td·class="mlabels-right">
102 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>102 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
103 ··</tr>103 ··</tr>
104 </table>104 </table>
105 </div><div·class="memdoc">105 </div><div·class="memdoc">
  
106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfa/a00626_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d6/dfa/a00626_source.html">AStarBondOrderStrategy.h</a>.</p>106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">AStarBondOrderStrategy.h</a>.</p>
  
107 </div>107 </div>
108 </div>108 </div>
109 </div><!--·contents·-->109 </div><!--·contents·-->
110 <!--·start·footer·part·-->110 <!--·start·footer·part·-->
111 <hr·class="footer"/><address·class="footer"><small>111 <hr·class="footer"/><address·class="footer"><small>
112 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4112 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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70 <a·href="#nested-classes">Classes</a>·&#124;70 <a·href="#nested-classes">Classes</a>·&#124;
71 <a·href="#pub-types">Public·Types</a>·&#124;71 <a·href="#pub-types">Public·Types</a>·&#124;
72 <a·href="../../d3/d1b/a03227.html">List·of·all·members</a>··</div>72 <a·href="../../d3/d1b/a03227.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::Client·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>73 ··<div·class="headertitle"><div·class="title">BALL::Client·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d4/d41/a01661_source.html">BALL/CONCEPT/client.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d8/d1c/a00824_source.html">BALL/CONCEPT/client.h</a>&gt;</code></p>
77 <table·class="memberdecls">77 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
79 Classes</h2></td></tr>79 Classes</h2></td></tr>
80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/de7/a03234.html">InvalidClient</a></td></tr>80 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/de7/a03234.html">InvalidClient</a></td></tr>
81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/ddd/a03238.html">NoPersistentObject</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/ddd/a03238.html">NoPersistentObject</a></td></tr>
83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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114 <tr·class="separator:a9b1bb25373167fb5fb17039322703472"><td·class="memSeparator"·colspan="2">&#160;</td></tr>114 <tr·class="separator:a9b1bb25373167fb5fb17039322703472"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
115 <tr·class="memitem:a92181d5e507abe70f555fd7763326e45"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dc9/a03230.html#a92181d5e507abe70f555fd7763326e45">dump</a>·(std::ostream·&amp;s=std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0)·const</td></tr>115 <tr·class="memitem:a92181d5e507abe70f555fd7763326e45"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dc9/a03230.html#a92181d5e507abe70f555fd7763326e45">dump</a>·(std::ostream·&amp;s=std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0)·const</td></tr>
116 <tr·class="separator:a92181d5e507abe70f555fd7763326e45"><td·class="memSeparator"·colspan="2">&#160;</td></tr>116 <tr·class="separator:a92181d5e507abe70f555fd7763326e45"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
117 </table>117 </table>
118 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>118 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
119 <div·class="textblock"><p·><a·class="el"·href="../../df/dc9/a03230.html">Client</a>·class.·The·class·<a·class="el"·href="../../df/dc9/a03230.html">Client</a>·introduces·a·rudimentary·interface·for·sending·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects·to·the·visualization.·In·this·version·only·the·one·way·direction·from·this·client·to·the·visualization·is·possible.·In·the·future·there·is·also·a·bidirectional·data·exchange·intended.·If·a·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·is·sent·two·times·than·the·graphical·representation·of·the·first·one·will·be·replaced·through·the·new·graphical·representation·of·the·second·one.·For·example·if·the·structure·of·the·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·is·continually·changed·by·a·program·so·the·visualization·of·this·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·changes·as·well.·The·<a·class="el"·href="../../df/dc9/a03230.html">Client</a>·class·connects·to·the·Server·class·that·is·part·of·the·<a·class="el"·href="../../d4/dc0/a02225.html">VIEW</a>·library.·See·Server·for·further·information.·</p><dl·class="section·see"><dt>See·also</dt><dd>Server·</dd></dl>119 <div·class="textblock"><p·><a·class="el"·href="../../df/dc9/a03230.html">Client</a>·class.·The·class·<a·class="el"·href="../../df/dc9/a03230.html">Client</a>·introduces·a·rudimentary·interface·for·sending·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects·to·the·visualization.·In·this·version·only·the·one·way·direction·from·this·client·to·the·visualization·is·possible.·In·the·future·there·is·also·a·bidirectional·data·exchange·intended.·If·a·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·is·sent·two·times·than·the·graphical·representation·of·the·first·one·will·be·replaced·through·the·new·graphical·representation·of·the·second·one.·For·example·if·the·structure·of·the·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·is·continually·changed·by·a·program·so·the·visualization·of·this·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·changes·as·well.·The·<a·class="el"·href="../../df/dc9/a03230.html">Client</a>·class·connects·to·the·Server·class·that·is·part·of·the·<a·class="el"·href="../../d4/dc0/a02225.html">VIEW</a>·library.·See·Server·for·further·information.·</p><dl·class="section·see"><dt>See·also</dt><dd>Server·</dd></dl>
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d41/a01661_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d4/d41/a01661_source.html">client.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d1c/a00824_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d8/d1c/a00824_source.html">client.h</a>.</p>
121 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>121 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
122 <a·id="a15ba31a78d9ee10c7a58715fc53eddec"·name="a15ba31a78d9ee10c7a58715fc53eddec"></a>122 <a·id="a15ba31a78d9ee10c7a58715fc53eddec"·name="a15ba31a78d9ee10c7a58715fc53eddec"></a>
123 <h2·class="memtitle"><span·class="permalink"><a·href="#a15ba31a78d9ee10c7a58715fc53eddec">&#9670;&nbsp;</a></span>Command</h2>123 <h2·class="memtitle"><span·class="permalink"><a·href="#a15ba31a78d9ee10c7a58715fc53eddec">&#9670;&nbsp;</a></span>Command</h2>
  
124 <div·class="memitem">124 <div·class="memitem">
125 <div·class="memproto">125 <div·class="memproto">
126 ······<table·class="memname">126 ······<table·class="memname">
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139 </td></tr>139 </td></tr>
140 <tr><td·class="fieldname"><a·id="a15ba31a78d9ee10c7a58715fc53eddecad2df682836740c721acc9473f99da26c"·name="a15ba31a78d9ee10c7a58715fc53eddecad2df682836740c721acc9473f99da26c"></a>COMMAND__SEND_OBJECT&#160;</td><td·class="fielddoc"><p·>sent·command.·This·command·will·be·used·for·indicating·a·new·object·that·is·about·to·be·received·</p>140 <tr><td·class="fieldname"><a·id="a15ba31a78d9ee10c7a58715fc53eddecad2df682836740c721acc9473f99da26c"·name="a15ba31a78d9ee10c7a58715fc53eddecad2df682836740c721acc9473f99da26c"></a>COMMAND__SEND_OBJECT&#160;</td><td·class="fielddoc"><p·>sent·command.·This·command·will·be·used·for·indicating·a·new·object·that·is·about·to·be·received·</p>
141 </td></tr>141 </td></tr>
142 <tr><td·class="fieldname"><a·id="a15ba31a78d9ee10c7a58715fc53eddeca70aa5d255f867d6d6a6ad863e1c985cd"·name="a15ba31a78d9ee10c7a58715fc53eddeca70aa5d255f867d6d6a6ad863e1c985cd"></a>NUMBER_OF_COMMANDS&#160;</td><td·class="fielddoc"><p·>next·free·command.·</p>142 <tr><td·class="fieldname"><a·id="a15ba31a78d9ee10c7a58715fc53eddeca70aa5d255f867d6d6a6ad863e1c985cd"·name="a15ba31a78d9ee10c7a58715fc53eddeca70aa5d255f867d6d6a6ad863e1c985cd"></a>NUMBER_OF_COMMANDS&#160;</td><td·class="fielddoc"><p·>next·free·command.·</p>
143 </td></tr>143 </td></tr>
144 </table>144 </table>
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d41/a01661_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d4/d41/a01661_source.html">client.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d1c/a00824_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d8/d1c/a00824_source.html">client.h</a>.</p>
  
146 </div>146 </div>
147 </div>147 </div>
148 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>148 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
149 <a·id="adfa2b48ab5e232994e0399454766edff"·name="adfa2b48ab5e232994e0399454766edff"></a>149 <a·id="adfa2b48ab5e232994e0399454766edff"·name="adfa2b48ab5e232994e0399454766edff"></a>
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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 64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
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62 </div><!--·top·-->66 </div><!--·top·-->
63 <div·class="header">67 <div·class="header">
 68 ··<div·class="summary">
 69 <a·href="#nested-classes">Classes</a>·&#124;
 70 <a·href="#namespaces">Namespaces</a>··</div>
64 ··<div·class="headertitle"><div·class="title">MMFF94.doc·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">PDBRecords.h·File·Reference</div></div>
65 </div><!--header-->72 </div><!--header-->
66 <div·class="contents">73 <div·class="contents">
 74 <div·class="textblock"><code>#include·&lt;vector&gt;</code><br·/>
 75 <code>#include·&lt;stdexcept&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 77 <code>#include·&lt;<a·class="el"·href="../../d0/d11/a00842_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/>
 78 </div>
 79 <p><a·href="../../df/dce/a00974_source.html">Go·to·the·source·code·of·this·file.</a></p>
 80 <table·class="memberdecls">
 81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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 86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
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69 <hr·class="footer"/><address·class="footer"><small>93 <hr·class="footer"/><address·class="footer"><small>
70 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.494 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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8 <title>BALL:·editOperation.h·File·Reference</title>8 <title>BALL:·datasetControl.h·File·Reference</title>
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10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
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66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">editOperation.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">datasetControl.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
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76 <p><a·href="../../df/dd5/a01115_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../df/dd5/a01115_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">79 <table·class="memberdecls">
78 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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72 <a·href="../../de/de7/a07579.html">List·of·all·members</a>··</div>72 <a·href="../../de/de7/a07579.html">List·of·all·members</a>··</div>
73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockResultDialog::Compare_·Class·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockResultDialog::Compare_·Class·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../d2/d1d/a01277_source.html">BALL/VIEW/DIALOGS/dockResultDialog.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d7/ddd/a01223_source.html">BALL/VIEW/DIALOGS/dockResultDialog.h</a>&gt;</code></p>
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91 Public·Attributes</h2></td></tr>91 Public·Attributes</h2></td></tr>
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93 <tr·class="separator:a30d45774103b2c5add6b9bdf46d8e416"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:a30d45774103b2c5add6b9bdf46d8e416"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1d/a01277_source.html#l00169">169</a>·of·file·<a·class="el"·href="../../d2/d1d/a01277_source.html">dockResultDialog.h</a>.</p>97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/ddd/a01223_source.html#l00169">169</a>·of·file·<a·class="el"·href="../../d7/ddd/a01223_source.html">dockResultDialog.h</a>.</p>
98 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>98 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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192 ········<tr>192 ········<tr>
193 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·BALL::VIEW::DockResultDialog::Compare_::index_</td>193 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·BALL::VIEW::DockResultDialog::Compare_::index_</td>
194 ········</tr>194 ········</tr>
195 ······</table>195 ······</table>
196 </div><div·class="memdoc">196 </div><div·class="memdoc">
197 <p·>Index·of·the·entry·by·which·the·two·vectors·in·<a·class="el"·href="../../">operator()·</a>·are·compared.·</p>197 <p·>Index·of·the·entry·by·which·the·two·vectors·in·<a·class="el"·href="../../">operator()·</a>·are·compared.·</p>
  
198 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1d/a01277_source.html#l00191">191</a>·of·file·<a·class="el"·href="../../d2/d1d/a01277_source.html">dockResultDialog.h</a>.</p>198 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/ddd/a01223_source.html#l00191">191</a>·of·file·<a·class="el"·href="../../d7/ddd/a01223_source.html">dockResultDialog.h</a>.</p>
  
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../df/d5e/a04699.html">List·of·all·members</a>··</div>71 <a·href="../../df/d5e/a04699.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::NucleotidePredicate·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::NucleotidePredicate·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::NucleotidePredicate:</div>77 Inheritance·diagram·for·BALL::NucleotidePredicate:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../df/dd9/a04702.png"·usemap="#BALL::NucleotidePredicate_map"·alt=""/>80 ··<img·src="../../df/dd9/a04702.png"·usemap="#BALL::NucleotidePredicate_map"·alt=""/>
81 ··<map·id="BALL::NucleotidePredicate_map"·name="BALL::NucleotidePredicate_map">81 ··<map·id="BALL::NucleotidePredicate_map"·name="BALL::NucleotidePredicate_map">
82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>82 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>117 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>118 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p·>Predicate·indicating·nucleotide·atoms.·Returns·<code>true</code>,·if·the·atom·belongs·to·a·nucleotide.·</p>122 <div·class="textblock"><p·>Predicate·indicating·nucleotide·atoms.·Returns·<code>true</code>,·if·the·atom·belongs·to·a·nucleotide.·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00307">307</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">standardPredicates.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00307">307</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
124 </div><h2·class="groupheader">Member·Function·Documentation</h2>124 </div><h2·class="groupheader">Member·Function·Documentation</h2>
125 <a·id="a9ea45c13872bc9b6ae804f237a01827f"·name="a9ea45c13872bc9b6ae804f237a01827f"></a>125 <a·id="a9ea45c13872bc9b6ae804f237a01827f"·name="a9ea45c13872bc9b6ae804f237a01827f"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a9ea45c13872bc9b6ae804f237a01827f">&#9670;&nbsp;</a></span>operator()()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a9ea45c13872bc9b6ae804f237a01827f">&#9670;&nbsp;</a></span>operator()()</h2>
  
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128 <div·class="memproto">128 <div·class="memproto">
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8 <title>BALL:·selectable.h·File·Reference</title>8 <title>BALL:·shiftModel.h·File·Reference</title>
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61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>·&#124;70 <a·href="#namespaces">Namespaces</a>··</div>
71 <a·href="#define-members">Macros</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">selectable.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">shiftModel.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d3/da1/a01613_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code><br·/>76 <code>#include·&lt;<a·class="el"·href="../../d4/d95/a00989_source.html">BALL/FORMAT/parameters.h</a>&gt;</code><br·/>
77 <code>#include·&lt;BALL/CONCEPT/selectable.iC&gt;</code><br·/> 
78 </div>77 </div>
79 <p><a·href="../../df/ddd/a01655_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../df/ddd/a01655_source.html">Go·to·the·source·code·of·this·file.</a></p>
80 <table·class="memberdecls">79 <table·class="memberdecls">
81 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
82 Classes</h2></td></tr>81 Classes</h2></td></tr>
83 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7f/a03366.html">BALL::Selectable</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d22/a05526.html">BALL::ShiftModel</a></td></tr>
84 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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87 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
88 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls"> 
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
92 Macros</h2></td></tr> 
93 <tr·class="memitem:acd344e9aa65175e384e210efb4325118"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/ddd/a01655.html#acd344e9aa65175e384e210efb4325118">BALL_SELECTABLE_DEFAULT_SELECTION</a>&#160;&#160;&#160;false</td></tr> 
94 <tr·class="separator:acd344e9aa65175e384e210efb4325118"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 </table>89 </table>
96 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
97 <a·id="acd344e9aa65175e384e210efb4325118"·name="acd344e9aa65175e384e210efb4325118"></a> 
98 <h2·class="memtitle"><span·class="permalink"><a·href="#acd344e9aa65175e384e210efb4325118">&#9670;&nbsp;</a></span>BALL_SELECTABLE_DEFAULT_SELECTION</h2> 
  
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100 <div·class="memproto"> 
101 ······<table·class="memname"> 
102 ········<tr> 
103 ··········<td·class="memname">#define·BALL_SELECTABLE_DEFAULT_SELECTION&#160;&#160;&#160;false</td> 
104 ········</tr> 
105 ······</table> 
106 </div><div·class="memdoc"> 
  
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/ddd/a01655_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../df/ddd/a01655_source.html">selectable.h</a>.</p> 
  
108 </div> 
109 </div> 
110 </div><!--·contents·-->90 </div><!--·contents·-->
111 <!--·start·footer·part·-->91 <!--·start·footer·part·-->
112 <hr·class="footer"/><address·class="footer"><small>92 <hr·class="footer"/><address·class="footer"><small>
113 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.493 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../dd/d87/a03235.html">List·of·all·members</a>··</div>71 <a·href="../../dd/d87/a03235.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::Client::NoPersistentObject·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::Client::NoPersistentObject·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d4/d41/a01661_source.html">BALL/CONCEPT/client.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d8/d1c/a00824_source.html">BALL/CONCEPT/client.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::Client::NoPersistentObject:</div>77 Inheritance·diagram·for·BALL::Client::NoPersistentObject:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../df/ddd/a03238.png"·usemap="#BALL::Client::NoPersistentObject_map"·alt=""/>80 ··<img·src="../../df/ddd/a03238.png"·usemap="#BALL::Client::NoPersistentObject_map"·alt=""/>
81 ··<map·id="BALL::Client::NoPersistentObject_map"·name="BALL::Client::NoPersistentObject_map">81 ··<map·id="BALL::Client::NoPersistentObject_map"·name="BALL::Client::NoPersistentObject_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·><a·class="el"·href="../../df/ddd/a03238.html">NoPersistentObject</a>·exception·class.·This·exception·will·be·thrown·whenever·an·object·that·is·not·a·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·will·be·tried·to·sent·through·the·client.·Only·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>'s·can·be·sent·through·this·client.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a>·<br··/>136 <div·class="textblock"><p·><a·class="el"·href="../../df/ddd/a03238.html">NoPersistentObject</a>·exception·class.·This·exception·will·be·thrown·whenever·an·object·that·is·not·a·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·will·be·tried·to·sent·through·the·client.·Only·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>'s·can·be·sent·through·this·client.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a>·<br··/>
137 ·</dd></dl>137 ·</dd></dl>
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d41/a01661_source.html#l00091">91</a>·of·file·<a·class="el"·href="../../d4/d41/a01661_source.html">client.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d1c/a00824_source.html#l00091">91</a>·of·file·<a·class="el"·href="../../d8/d1c/a00824_source.html">client.h</a>.</p>
139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
140 <a·id="a6640ab76df799b5e32958c653897068f"·name="a6640ab76df799b5e32958c653897068f"></a>140 <a·id="a6640ab76df799b5e32958c653897068f"·name="a6640ab76df799b5e32958c653897068f"></a>
141 <h2·class="memtitle"><span·class="permalink"><a·href="#a6640ab76df799b5e32958c653897068f">&#9670;&nbsp;</a></span>NoPersistentObject()</h2>141 <h2·class="memtitle"><span·class="permalink"><a·href="#a6640ab76df799b5e32958c653897068f">&#9670;&nbsp;</a></span>NoPersistentObject()</h2>
  
142 <div·class="memitem">142 <div·class="memitem">
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72 ··<div·class="headertitle"><div·class="title">BALL::SDGenerator::Default·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::SDGenerator::Default·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><a·class="el"·href="../../df/ddd/a07150.html"·title="Default·values·for·options.">Default</a>·values·for·options.··75 <p><a·class="el"·href="../../df/ddd/a07150.html"·title="Default·values·for·options.">Default</a>·values·for·options.··
76 ·<a·href="../../df/ddd/a07150.html#details">More...</a></p>76 ·<a·href="../../df/ddd/a07150.html#details">More...</a></p>
  
77 <p><code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/STRUCTURE/sdGenerator.h</a>&gt;</code></p>77 <p><code>#include·&lt;<a·class="el"·href="../../d5/da8/a01865_source.html">BALL/STRUCTURE/sdGenerator.h</a>&gt;</code></p>
78 <table·class="memberdecls">78 <table·class="memberdecls">
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80 Static·Public·Attributes</h2></td></tr>80 Static·Public·Attributes</h2></td></tr>
81 <tr·class="memitem:a7d19c8ec7edb7a95763af700de2f5a38"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/ddd/a07150.html#a7d19c8ec7edb7a95763af700de2f5a38">SHOW_HYDROGENS</a></td></tr>81 <tr·class="memitem:a7d19c8ec7edb7a95763af700de2f5a38"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/ddd/a07150.html#a7d19c8ec7edb7a95763af700de2f5a38">SHOW_HYDROGENS</a></td></tr>
82 <tr·class="separator:a7d19c8ec7edb7a95763af700de2f5a38"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a7d19c8ec7edb7a95763af700de2f5a38"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:af71c273466f0cfb3600ec93a00082da0"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/ddd/a07150.html#af71c273466f0cfb3600ec93a00082da0">STANDARD_BOND_LENGTH</a></td></tr>83 <tr·class="memitem:af71c273466f0cfb3600ec93a00082da0"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/ddd/a07150.html#af71c273466f0cfb3600ec93a00082da0">STANDARD_BOND_LENGTH</a></td></tr>
84 <tr·class="separator:af71c273466f0cfb3600ec93a00082da0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:af71c273466f0cfb3600ec93a00082da0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock"><p·><a·class="el"·href="../../df/ddd/a07150.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>87 <div·class="textblock"><p·><a·class="el"·href="../../df/ddd/a07150.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>
  
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">sdGenerator.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">sdGenerator.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="a7d19c8ec7edb7a95763af700de2f5a38"·name="a7d19c8ec7edb7a95763af700de2f5a38"></a>90 <a·id="a7d19c8ec7edb7a95763af700de2f5a38"·name="a7d19c8ec7edb7a95763af700de2f5a38"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#a7d19c8ec7edb7a95763af700de2f5a38">&#9670;&nbsp;</a></span>SHOW_HYDROGENS</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#a7d19c8ec7edb7a95763af700de2f5a38">&#9670;&nbsp;</a></span>SHOW_HYDROGENS</h2>
  
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93 <div·class="memproto">93 <div·class="memproto">
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106 ··</td>106 ··</td>
107 ··<td·class="mlabels-right">107 ··<td·class="mlabels-right">
108 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>108 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
109 ··</tr>109 ··</tr>
110 </table>110 </table>
111 </div><div·class="memdoc">111 </div><div·class="memdoc">
  
112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">sdGenerator.h</a>.</p>112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">sdGenerator.h</a>.</p>
  
113 </div>113 </div>
114 </div>114 </div>
115 <a·id="af71c273466f0cfb3600ec93a00082da0"·name="af71c273466f0cfb3600ec93a00082da0"></a>115 <a·id="af71c273466f0cfb3600ec93a00082da0"·name="af71c273466f0cfb3600ec93a00082da0"></a>
116 <h2·class="memtitle"><span·class="permalink"><a·href="#af71c273466f0cfb3600ec93a00082da0">&#9670;&nbsp;</a></span>STANDARD_BOND_LENGTH</h2>116 <h2·class="memtitle"><span·class="permalink"><a·href="#af71c273466f0cfb3600ec93a00082da0">&#9670;&nbsp;</a></span>STANDARD_BOND_LENGTH</h2>
  
117 <div·class="memitem">117 <div·class="memitem">
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130 ··</td>130 ··</td>
131 ··<td·class="mlabels-right">131 ··<td·class="mlabels-right">
132 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>132 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
133 ··</tr>133 ··</tr>
134 </table>134 </table>
135 </div><div·class="memdoc">135 </div><div·class="memdoc">
  
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">sdGenerator.h</a>.</p>136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">sdGenerator.h</a>.</p>
  
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138 </div>138 </div>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;70 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
71 <a·href="../../d4/d87/a03963.html">List·of·all·members</a>··</div>71 <a·href="../../d4/d87/a03963.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::MOL2File::BondStruct·Struct·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::MOL2File::BondStruct·Struct·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../df/d6a/a00119_source.html">BALL/FORMAT/MOL2File.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d0/d85/a00908_source.html">BALL/FORMAT/MOL2File.h</a>&gt;</code></p>
76 <table·class="memberdecls">76 <table·class="memberdecls">
77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>77 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
78 Public·Attributes</h2></td></tr>78 Public·Attributes</h2></td></tr>
79 <tr·class="memitem:a904e9e9f5dff510c7cbd141a3680c47a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de5/a03966.html#a904e9e9f5dff510c7cbd141a3680c47a">atom1</a></td></tr>79 <tr·class="memitem:a904e9e9f5dff510c7cbd141a3680c47a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de5/a03966.html#a904e9e9f5dff510c7cbd141a3680c47a">atom1</a></td></tr>
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82 <tr·class="separator:a3383a288c585deb925b2caef275c9015"><td·class="memSeparator"·colspan="2">&#160;</td></tr>82 <tr·class="separator:a3383a288c585deb925b2caef275c9015"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
83 <tr·class="memitem:ad5baf6fd22fbc32b6d74f414f0b8b9b6"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de5/a03966.html#ad5baf6fd22fbc32b6d74f414f0b8b9b6">type</a></td></tr>83 <tr·class="memitem:ad5baf6fd22fbc32b6d74f414f0b8b9b6"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de5/a03966.html#ad5baf6fd22fbc32b6d74f414f0b8b9b6">type</a></td></tr>
84 <tr·class="separator:ad5baf6fd22fbc32b6d74f414f0b8b9b6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>84 <tr·class="separator:ad5baf6fd22fbc32b6d74f414f0b8b9b6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
85 </table>85 </table>
86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>86 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
87 <div·class="textblock">87 <div·class="textblock">
88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6a/a00119_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../df/d6a/a00119_source.html">MOL2File.h</a>.</p>88 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d85/a00908_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../d0/d85/a00908_source.html">MOL2File.h</a>.</p>
89 </div><h2·class="groupheader">Member·Data·Documentation</h2>89 </div><h2·class="groupheader">Member·Data·Documentation</h2>
90 <a·id="a904e9e9f5dff510c7cbd141a3680c47a"·name="a904e9e9f5dff510c7cbd141a3680c47a"></a>90 <a·id="a904e9e9f5dff510c7cbd141a3680c47a"·name="a904e9e9f5dff510c7cbd141a3680c47a"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#a904e9e9f5dff510c7cbd141a3680c47a">&#9670;&nbsp;</a></span>atom1</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#a904e9e9f5dff510c7cbd141a3680c47a">&#9670;&nbsp;</a></span>atom1</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
93 <div·class="memproto">93 <div·class="memproto">
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95 ········<tr>95 ········<tr>
96 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·BALL::MOL2File::BondStruct::atom1</td>96 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·BALL::MOL2File::BondStruct::atom1</td>
97 ········</tr>97 ········</tr>
98 ······</table>98 ······</table>
99 </div><div·class="memdoc">99 </div><div·class="memdoc">
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6a/a00119_source.html#l00151">151</a>·of·file·<a·class="el"·href="../../df/d6a/a00119_source.html">MOL2File.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d85/a00908_source.html#l00151">151</a>·of·file·<a·class="el"·href="../../d0/d85/a00908_source.html">MOL2File.h</a>.</p>
  
101 </div>101 </div>
102 </div>102 </div>
103 <a·id="a3383a288c585deb925b2caef275c9015"·name="a3383a288c585deb925b2caef275c9015"></a>103 <a·id="a3383a288c585deb925b2caef275c9015"·name="a3383a288c585deb925b2caef275c9015"></a>
104 <h2·class="memtitle"><span·class="permalink"><a·href="#a3383a288c585deb925b2caef275c9015">&#9670;&nbsp;</a></span>atom2</h2>104 <h2·class="memtitle"><span·class="permalink"><a·href="#a3383a288c585deb925b2caef275c9015">&#9670;&nbsp;</a></span>atom2</h2>
  
105 <div·class="memitem">105 <div·class="memitem">
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112 ······<table·class="memname">112 ······<table·class="memname">
113 ········<tr>113 ········<tr>
114 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·BALL::MOL2File::BondStruct::atom2</td>114 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·BALL::MOL2File::BondStruct::atom2</td>
115 ········</tr>115 ········</tr>
116 ······</table>116 ······</table>
117 </div><div·class="memdoc">117 </div><div·class="memdoc">
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6a/a00119_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../df/d6a/a00119_source.html">MOL2File.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d85/a00908_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../d0/d85/a00908_source.html">MOL2File.h</a>.</p>
  
119 </div>119 </div>
120 </div>120 </div>
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73 ··<div·class="headertitle"><div·class="title">BALL::PLP::NonBondedPairData·Struct·Reference</div></div>73 ··<div·class="headertitle"><div·class="title">BALL::PLP::NonBondedPairData·Struct·Reference</div></div>
74 </div><!--header-->74 </div><!--header-->
75 <div·class="contents">75 <div·class="contents">
  
76 <p><code>#include·&lt;<a·class="el"·href="../../da/d15/a00188_source.html">BALL/SCORING/COMPONENTS/PLP.h</a>&gt;</code></p>76 <p><code>#include·&lt;<a·class="el"·href="../../d3/d1e/a02093_source.html">BALL/SCORING/COMPONENTS/PLP.h</a>&gt;</code></p>
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110 <tr><td·class="fieldname"><a·id="a6b4a1b61024d8df574254d2620344c82a7e52c3b517923c3603ccccf56ce009c7"·name="a6b4a1b61024d8df574254d2620344c82a7e52c3b517923c3603ccccf56ce009c7"></a>conformation&#160;</td><td·class="fielddoc"></td></tr>110 <tr><td·class="fieldname"><a·id="a6b4a1b61024d8df574254d2620344c82a7e52c3b517923c3603ccccf56ce009c7"·name="a6b4a1b61024d8df574254d2620344c82a7e52c3b517923c3603ccccf56ce009c7"></a>conformation&#160;</td><td·class="fielddoc"></td></tr>
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113 </div>113 </div>
114 </div>114 </div>
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71 <a·href="#define-members">Macros</a>··</div> 
72 ··<div·class="headertitle"><div·class="title">amberNonBonded.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">genericMolFile.h·File·Reference</div></div>
73 </div><!--header-->72 </div><!--header-->
74 <div·class="contents">73 <div·class="contents">
75 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/common.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/FORMAT/lineBasedFile.h</a>&gt;</code><br·/>
76 <code>#include·&lt;<a·class="el"·href="../../d6/d8b/a00821_source.html">BALL/MOLMEC/PARAMETER/lennardJones.h</a>&gt;</code><br·/> 
77 <code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/MOLMEC/PARAMETER/potential1210.h</a>&gt;</code><br·/> 
78 <code>#include·&lt;<a·class="el"·href="../../dc/d17/a00872_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../d3/dd1/a00914_source.html">BALL/MOLMEC/COMMON/support.h</a>&gt;</code><br·/> 
80 </div>75 </div>
81 <p><a·href="../../df/de9/a00923_source.html">Go·to·the·source·code·of·this·file.</a></p>76 <p><a·href="../../df/de9/a00923_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls">77 <table·class="memberdecls">
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90 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>85 <tr·class="memitem:da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table><table·class="memberdecls"> 
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
94 Macros</h2></td></tr> 
95 <tr·class="memitem:a123bbb13717e24f338d0e9a5af1b9d09"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a00923.html#a123bbb13717e24f338d0e9a5af1b9d09">AMBER_NB_ENABLED</a>&#160;&#160;&#160;&quot;enable·NB&quot;</td></tr> 
96 <tr·class="memdesc:a123bbb13717e24f338d0e9a5af1b9d09"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·NB··<a·href="../../df/de9/a00923.html#a123bbb13717e24f338d0e9a5af1b9d09">More...</a><br·/></td></tr> 
97 <tr·class="separator:a123bbb13717e24f338d0e9a5af1b9d09"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 </table>87 </table>
99 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
100 <a·id="a123bbb13717e24f338d0e9a5af1b9d09"·name="a123bbb13717e24f338d0e9a5af1b9d09"></a> 
101 <h2·class="memtitle"><span·class="permalink"><a·href="#a123bbb13717e24f338d0e9a5af1b9d09">&#9670;&nbsp;</a></span>AMBER_NB_ENABLED</h2> 
  
102 <div·class="memitem"> 
103 <div·class="memproto"> 
104 ······<table·class="memname"> 
105 ········<tr> 
106 ··········<td·class="memname">#define·AMBER_NB_ENABLED&#160;&#160;&#160;&quot;enable·NB&quot;</td> 
107 ········</tr> 
108 ······</table> 
109 </div><div·class="memdoc"> 
  
110 <p>flag·to·enable·NB·</p> 
  
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/de9/a00923_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../df/de9/a00923_source.html">amberNonBonded.h</a>.</p> 
  
112 </div> 
113 </div> 
114 </div><!--·contents·-->88 </div><!--·contents·-->
115 <!--·start·footer·part·-->89 <!--·start·footer·part·-->
116 <hr·class="footer"/><address·class="footer"><small>90 <hr·class="footer"/><address·class="footer"><small>
117 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.491 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.4
118 </small></address>92 </small></address>
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d3/ddb/a05679.html">List·of·all·members</a>··</div>71 <a·href="../../d3/ddb/a05679.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::InconsistentUsage·Class·Reference</div></div>72 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::InconsistentUsage·Class·Reference</div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../db/d51/a20335_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::QSAR::Exception::InconsistentUsage:</div>77 Inheritance·diagram·for·BALL::QSAR::Exception::InconsistentUsage:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../df/de9/a05682.png"·usemap="#BALL::QSAR::Exception::InconsistentUsage_map"·alt=""/>80 ··<img·src="../../df/de9/a05682.png"·usemap="#BALL::QSAR::Exception::InconsistentUsage_map"·alt=""/>
81 ··<map·id="BALL::QSAR::Exception::InconsistentUsage_map"·name="BALL::QSAR::Exception::InconsistentUsage_map">81 ··<map·id="BALL::QSAR::Exception::InconsistentUsage_map"·name="BALL::QSAR::Exception::InconsistentUsage_map">
82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,252,80"/>82 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,252,80"/>
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132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>132 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p·>class·for·errors·that·are·due·to·inconsistent·use·of·methods·by·the·user;·e.g.·requesting·training·of·a·model·before·some·data·has·been·read·...·</p>136 <div·class="textblock"><p·>class·for·errors·that·are·due·to·inconsistent·use·of·methods·by·the·user;·e.g.·requesting·training·of·a·model·before·some·data·has·been·read·...·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d51/a20335_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../db/d51/a20335_source.html">QSAR/exception.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="aaaf79b043de7e647be119d549ffab184"·name="aaaf79b043de7e647be119d549ffab184"></a>139 <a·id="aaaf79b043de7e647be119d549ffab184"·name="aaaf79b043de7e647be119d549ffab184"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#aaaf79b043de7e647be119d549ffab184">&#9670;&nbsp;</a></span>InconsistentUsage()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#aaaf79b043de7e647be119d549ffab184">&#9670;&nbsp;</a></span>InconsistentUsage()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
142 <div·class="memproto">142 <div·class="memproto">
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69 ··<div·class="summary">69 ··<div·class="summary">
70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;70 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
71 <a·href="../../d9/d69/a08111.html">List·of·all·members</a>··</div>71 <a·href="../../d9/d69/a08111.html">List·of·all·members</a>··</div>
72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::OccupancyColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>72 ··<div·class="headertitle"><div·class="title">BALL::VIEW::OccupancyColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>
73 </div><!--header-->73 </div><!--header-->
74 <div·class="contents">74 <div·class="contents">
  
75 <p><code>#include·&lt;<a·class="el"·href="../../d1/d35/a01184_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>75 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
76 <div·class="dynheader">76 <div·class="dynheader">
77 Inheritance·diagram·for·BALL::VIEW::OccupancyColorProcessor:</div>77 Inheritance·diagram·for·BALL::VIEW::OccupancyColorProcessor:</div>
78 <div·class="dyncontent">78 <div·class="dyncontent">
79 ·<div·class="center">79 ·<div·class="center">
80 ··<img·src="../../df/de9/a08114.png"·usemap="#BALL::VIEW::OccupancyColorProcessor_map"·alt=""/>80 ··<img·src="../../df/de9/a08114.png"·usemap="#BALL::VIEW::OccupancyColorProcessor_map"·alt=""/>
81 ··<map·id="BALL::VIEW::OccupancyColorProcessor_map"·name="BALL::VIEW::OccupancyColorProcessor_map">81 ··<map·id="BALL::VIEW::OccupancyColorProcessor_map"·name="BALL::VIEW::OccupancyColorProcessor_map">
82 <area·href="../../d3/d76/a08046.html"·alt="BALL::VIEW::InterpolateColorProcessor"·shape="rect"·coords="0,168,364,192"/>82 <area·href="../../d3/d76/a08046.html"·alt="BALL::VIEW::InterpolateColorProcessor"·shape="rect"·coords="0,168,364,192"/>
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266 <tr·class="separator:a3173044548dc6712c9c0b44ea584780b·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>266 <tr·class="separator:a3173044548dc6712c9c0b44ea584780b·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
267 <tr·class="memitem:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d56/a08042.html#a18059f4f928525494f82e367a40cab58">min_spacing_</a></td></tr>267 <tr·class="memitem:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d56/a08042.html#a18059f4f928525494f82e367a40cab58">min_spacing_</a></td></tr>
268 <tr·class="separator:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>268 <tr·class="separator:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
269 </table>269 </table>
270 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>270 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
271 <div·class="textblock"><p·>Coloring·by·the·occupancy·of·atoms·from·a·<a·class="el"·href="../../d1/db3/a04402.html">PDBFile</a>·</p>271 <div·class="textblock"><p·>Coloring·by·the·occupancy·of·atoms·from·a·<a·class="el"·href="../../d1/db3/a04402.html">PDBFile</a>·</p>
  
272 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00454">454</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">standardColorProcessor.h</a>.</p>272 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00454">454</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
273 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>273 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
274 <a·id="aa9f6e55ce05c8fec301600b8d3a8a500"·name="aa9f6e55ce05c8fec301600b8d3a8a500"></a>274 <a·id="aa9f6e55ce05c8fec301600b8d3a8a500"·name="aa9f6e55ce05c8fec301600b8d3a8a500"></a>
275 <h2·class="memtitle"><span·class="permalink"><a·href="#aa9f6e55ce05c8fec301600b8d3a8a500">&#9670;&nbsp;</a></span>OccupancyColorProcessor()</h2>275 <h2·class="memtitle"><span·class="permalink"><a·href="#aa9f6e55ce05c8fec301600b8d3a8a500">&#9670;&nbsp;</a></span>OccupancyColorProcessor()</h2>
  
276 <div·class="memitem">276 <div·class="memitem">
277 <div·class="memproto">277 <div·class="memproto">
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8 <title>BALL:·XDRPersistenceManager.h·File·Reference</title>8 <title>BALL:·experiment.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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58 <iframe·src="javascript:void(0)"·frameborder="0"·58 <iframe·src="javascript:void(0)"·frameborder="0"·
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60 </iframe>60 </iframe>
61 </div>61 </div>
  
62 <div·id="nav-path"·class="navpath">62 <div·id="nav-path"·class="navpath">
63 ··<ul>63 ··<ul>
64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>
65 </div>65 </div>
66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">XDRPersistenceManager.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">experiment.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d49/a01643_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d87/a01649_source.html">BALL/NMR/peakList.h</a>&gt;</code><br·/>
75 <code>#include·&lt;rpc/types.h&gt;</code><br·/> 
76 <code>#include·&lt;rpc/xdr.h&gt;</code><br·/>75 <code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../dc/df9/a00554_source.html">BALL/KERNEL/expression.h</a>&gt;</code><br·/>
77 </div>77 </div>
78 <p><a·href="../../df/dee/a01646_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../df/dee/a01646_source.html">Go·to·the·source·code·of·this·file.</a></p>
79 <table·class="memberdecls">79 <table·class="memberdecls">
80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>80 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
81 Classes</h2></td></tr>81 Classes</h2></td></tr>
 82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d30/a05490.html">BALL::Experiment&lt;·PeakListType·&gt;</a></td></tr>
 83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d7d/a03386.html">BALL::XDRPersistenceManager</a></td></tr>84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d90/a05494.html">BALL::SimpleExperiment1D</a></td></tr>
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64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c7a6b3e443e6f200d85971bee20841b.html">GENETICDOCK</a></li>··</ul>64 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_0f44562fa0092558829ef2f34049a706.html">MODELS</a></li>··</ul>
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66 </div><!--·top·-->66 </div><!--·top·-->
67 <div·class="header">67 <div·class="header">
68 ··<div·class="summary">68 ··<div·class="summary">
69 <a·href="#nested-classes">Classes</a>·&#124;69 <a·href="#nested-classes">Classes</a>·&#124;
70 <a·href="#namespaces">Namespaces</a>··</div>70 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">parameter.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">colorByGridProcessor.h·File·Reference</div></div>
72 </div><!--header-->72 </div><!--header-->
73 <div·class="contents">73 <div·class="contents">
74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d29/a01817_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/>74 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
 75 <code>#include·&lt;<a·class="el"·href="../../dc/d96/a01517_source.html">BALL/VIEW/MODELS/colorProcessor.h</a>&gt;</code><br·/>
 76 <code>#include·&lt;<a·class="el"·href="../../d9/de4/a01346_source.html">BALL/VIEW/DATATYPE/colorMap.h</a>&gt;</code><br·/>
75 </div>77 </div>
76 <p><a·href="../../d4/ddf/a00488_source.html">Go·to·the·source·code·of·this·file.</a></p>78 <p><a·href="../../dc/dce/a01505_source.html">Go·to·the·source·code·of·this·file.</a></p>
77 <table·class="memberdecls">79 <table·class="memberdecls">
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83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
84 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d5f/a03778.html">BALL::QuaternionParameter</a></td></tr>82 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d60/a08038.html">BALL::VIEW::ColorByGridProcessor</a></td></tr>
85 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
86 </table><table·class="memberdecls">84 </table><table·class="memberdecls">
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