File: isomorphism_8cpp.shtml

package info (click to toggle)
openbabel 2.3.2%2Bdfsg-2
  • links: PTS, VCS
  • area: main
  • in suites: jessie, jessie-kfreebsd
  • size: 75,308 kB
  • ctags: 41,952
  • sloc: cpp: 321,252; ansic: 89,228; python: 7,262; perl: 6,418; pascal: 793; sh: 194; xml: 97; ruby: 55; makefile: 47; java: 23
file content (143 lines) | stat: -rw-r--r-- 10,967 bytes parent folder | download | duplicates (3) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
 
<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
<html>
<head><meta http-equiv="Content-Type" content="text/html;charset=utf-8">
<title>isomorphism.cpp File Reference</title>
<link href="/site.css" rel="stylesheet" type="text/css">
<link href="doxygen.css" rel="stylesheet" type="text/css">
<link href="tabs.css" rel="stylesheet" type="text/css">
<script type="text/javascript" src="search/search.js"></script>
<link href="search/search.css" rel="stylesheet" type="text/css"/>
</head>

<body>

<!--#include file="header.html" -->
<!-- Generated by Doxygen 1.7.5.1 -->
<script type="text/javascript">
var searchBox = new SearchBox("searchBox", "search",false,'Search');
</script>
  <div id="navrow1" class="tabs">
    <ul class="tablist">
      <li><a href="index.shtml"><span>Main&#160;Page</span></a></li>
      <li><a href="pages.shtml"><span>Related&#160;Pages</span></a></li>
      <li><a href="modules.shtml"><span>Modules</span></a></li>
      <li><a href="namespaces.shtml"><span>Namespaces</span></a></li>
      <li><a href="annotated.shtml"><span>Classes</span></a></li>
      <li class="current"><a href="files.shtml"><span>Files</span></a></li>
      <li><a href="examples.shtml"><span>Examples</span></a></li>
      <li>
        <div id="MSearchBox" class="MSearchBoxInactive">
        <span class="left">
          <img id="MSearchSelect" src="search/mag_sel.png"
               onmouseover="return searchBox.OnSearchSelectShow()"
               onmouseout="return searchBox.OnSearchSelectHide()"
               alt=""/>
          <input type="text" id="MSearchField" value="Search" accesskey="S"
               onfocus="searchBox.OnSearchFieldFocus(true)" 
               onblur="searchBox.OnSearchFieldFocus(false)" 
               onkeyup="searchBox.OnSearchFieldChange(event)"/>
          </span><span class="right">
            <a id="MSearchClose" href="javascript:searchBox.CloseResultsWindow()"><img id="MSearchCloseImg" border="0" src="search/close.png" alt=""/></a>
          </span>
        </div>
      </li>
    </ul>
  </div>
  <div id="navrow2" class="tabs2">
    <ul class="tablist">
      <li><a href="files.shtml"><span>File&#160;List</span></a></li>
      <li><a href="globals.shtml"><span>File&#160;Members</span></a></li>
    </ul>
  </div>
</div>
<div class="header">
  <div class="summary">
<a href="#namespaces">Namespaces</a> &#124;
<a href="#define-members">Defines</a> &#124;
<a href="#func-members">Functions</a> &#124;
<a href="#var-members">Variables</a>  </div>
  <div class="headertitle">
<div class="title">isomorphism.cpp File Reference</div>  </div>
</div>
<div class="contents">
<div class="textblock"><code>#include &lt;<a class="el" href="isomorphism_8h_source.shtml">openbabel/isomorphism.h</a>&gt;</code><br/>
<code>#include &lt;<a class="el" href="query_8h_source.shtml">openbabel/query.h</a>&gt;</code><br/>
<code>#include &lt;<a class="el" href="graphsym_8h_source.shtml">openbabel/graphsym.h</a>&gt;</code><br/>
<code>#include &lt;ctime&gt;</code><br/>
<code>#include &lt;cassert&gt;</code><br/>
</div><table class="memberdecls">
<tr><td colspan="2"><h2><a name="namespaces"></a>
Namespaces</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">namespace &#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml">OpenBabel</a></td></tr>
<tr><td colspan="2"><h2><a name="define-members"></a>
Defines</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="isomorphism_8cpp.shtml#ad72dbcf6d0153db1b8d8a58001feed83">DEBUG</a>&#160;&#160;&#160;0</td></tr>
<tr><td colspan="2"><h2><a name="func-members"></a>
Functions</h2></td></tr>
<tr><td class="memTemplParams" colspan="2">template&lt;typename T &gt; </td></tr>
<tr><td class="memTemplItemLeft" align="right" valign="top">void&#160;</td><td class="memTemplItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml#a5c3704ad0910c8279aa1e1e79c300369">print_vector</a> (const std::string &amp;label, const std::vector&lt; T &gt; &amp;v)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml#add2cdb4d7ec3918bac8fa18eb32d4d4c">isFerroceneBond</a> (OBBond *bond)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">OBQuery *&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml#abfb2d29563ee1a81f2e70a51d55c83cf">CompileAutomorphismQuery</a> (OBMol *mol, const OBBitVec &amp;mask, const std::vector&lt; unsigned int &gt; &amp;symClasses)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml#a6239f809ba8a88712a94f2a6bb90a485">FindAutomorphisms</a> (OBMol *mol, Automorphisms &amp;maps, const OBBitVec &amp;mask, std::size_t maxMemory)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml#a4e9dbdc3dacbdf4b8ac6e48baba7bc35">FindAutomorphisms</a> (OBMol *mol, Automorphisms &amp;maps, const std::vector&lt; unsigned int &gt; &amp;symClasses, const OBBitVec &amp;mask, std::size_t maxMemory)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">OBBitVec&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml#a04fb8cae80f1866e2921853c509b07b4">getFragment</a> (OBAtom *atom, const OBBitVec &amp;mask, const std::vector&lt; OBBond * &gt; &amp;metalloceneBonds=std::vector&lt; OBBond * &gt;())</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="group__substructure.shtml#ga6a2b6b84fc5e4432152e29001877c59b">FindAutomorphisms</a> (OBIsomorphismMapper::Functor &amp;functor, OBMol *mol, const std::vector&lt; unsigned int &gt; &amp;symmetry_classes, const OBBitVec &amp;mask=OBBitVec())</td></tr>
<tr><td colspan="2"><h2><a name="var-members"></a>
Variables</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static const char *&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml#a8759fc55507d155f4eb9fa303cfecc59">red</a> = &quot;\033[1;31m&quot;</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static const char *&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml#ac12598cc2108fbc1e3ba8d1c3c92bb12">green</a> = &quot;\033[1;32m&quot;</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static const char *&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml#acee835767e8d4be32f5ad94a2e90a45f">yellow</a> = &quot;\033[1;33m&quot;</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static const char *&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml#a19b2b376a1bda5b375eca394cff7f129">blue</a> = &quot;\033[1;34m&quot;</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static const char *&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml#ae70ea9d1800f7ec86a2db16c71c42e21">normal</a> = &quot;\033[0m&quot;</td></tr>
</table>
<hr/><a name="details" id="details"></a><h2>Detailed Description</h2>
<div class="textblock"><p>OBIsomorphismMapper class for finding isomorphisms. </p>
</div><hr/><h2>Define Documentation</h2>
<a class="anchor" id="ad72dbcf6d0153db1b8d8a58001feed83"></a><!-- doxytag: member="isomorphism.cpp::DEBUG" ref="ad72dbcf6d0153db1b8d8a58001feed83" args="" -->
<div class="memitem">
<div class="memproto">
      <table class="memname">
        <tr>
          <td class="memname">#define DEBUG&#160;&#160;&#160;0</td>
        </tr>
      </table>
</div>
<div class="memdoc">

<p>Referenced by <a class="el" href="group__substructure.shtml#ga6a2b6b84fc5e4432152e29001877c59b">OpenBabel::FindAutomorphisms()</a>.</p>

</div>
</div>
</div>
<!-- window showing the filter options -->
<div id="MSearchSelectWindow"
     onmouseover="return searchBox.OnSearchSelectShow()"
     onmouseout="return searchBox.OnSearchSelectHide()"
     onkeydown="return searchBox.OnSearchSelectKey(event)">
<a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(0)"><span class="SelectionMark">&#160;</span>All</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(1)"><span class="SelectionMark">&#160;</span>Classes</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(2)"><span class="SelectionMark">&#160;</span>Namespaces</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(3)"><span class="SelectionMark">&#160;</span>Files</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(4)"><span class="SelectionMark">&#160;</span>Functions</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(5)"><span class="SelectionMark">&#160;</span>Variables</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(6)"><span class="SelectionMark">&#160;</span>Typedefs</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(7)"><span class="SelectionMark">&#160;</span>Enumerations</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(8)"><span class="SelectionMark">&#160;</span>Enumerator</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(9)"><span class="SelectionMark">&#160;</span>Friends</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(10)"><span class="SelectionMark">&#160;</span>Defines</a></div>

<!-- iframe showing the search results (closed by default) -->
<div id="MSearchResultsWindow">
<iframe src="javascript:void(0)" frameborder="0" 
        name="MSearchResults" id="MSearchResults">
</iframe>
</div>

</div><!-- end content -->

<!--#include file="footer.html" -->

<div id="footer">
<hr size="1">
<img src="http://openbabel.org/babel256.png" width="136" height="127" alt="" style="float: left;" />
<p>This file is part of the documentation for <a href="http://openbabel.org/wiki/">Open Babel</a>, version 2.3.</p>
<div class="bottom">
Documentation copyright &copy; 1998-2007, the <a href="http://openbabel.org/wiki/THANKS">Open Babel Developers</a>.<br>
Open Babel is hosted by: <a href="http://sourceforge.net">
<img src="http://sourceforge.net/sflogo.php?group_id=40728" 
width="88" height="31" border="0" alt="SourceForge Logo"></a><br>
Generated on Thu Oct 13 2011 16:08:08 by&nbsp;<a href="http://www.doxygen.org/"><img src="doxygen.png" alt="doxygen" align="middle" border="0"></a> 1.7.5.1.
</div>

</body>
</html>