Sophie

Sophie

distrib > Mageia > 7 > i586 > by-pkgid > c1ef1829482c74555861c06375c6699f > files > 350

gnome-chemistry-utils-devel-0.14.17-9.mga7.i586.rpm

<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">
<html xmlns="http://www.w3.org/1999/xhtml">
<head>
<meta http-equiv="Content-Type" content="text/xhtml;charset=UTF-8"/>
<meta http-equiv="X-UA-Compatible" content="IE=9"/>
<meta name="generator" content="Doxygen 1.8.13"/>
<meta name="viewport" content="width=device-width, initial-scale=1"/>
<title>The Gnome Chemistry Utils: gcu::AtomMatchState Class Reference</title>
<link href="tabs.css" rel="stylesheet" type="text/css"/>
<script type="text/javascript" src="jquery.js"></script>
<script type="text/javascript" src="dynsections.js"></script>
<link href="doxygen.css" rel="stylesheet" type="text/css" />
</head>
<body>
<div id="top"><!-- do not remove this div, it is closed by doxygen! -->
<div id="titlearea">
<table cellspacing="0" cellpadding="0">
 <tbody>
 <tr style="height: 56px;">
  <td id="projectalign" style="padding-left: 0.5em;">
   <div id="projectname">The Gnome Chemistry Utils
   &#160;<span id="projectnumber">0.14.17</span>
   </div>
  </td>
 </tr>
 </tbody>
</table>
</div>
<!-- end header part -->
<!-- Generated by Doxygen 1.8.13 -->
<script type="text/javascript" src="menudata.js"></script>
<script type="text/javascript" src="menu.js"></script>
<script type="text/javascript">
$(function() {
  initMenu('',false,false,'search.php','Search');
});
</script>
<div id="main-nav"></div>
<div id="nav-path" class="navpath">
  <ul>
<li class="navelem"><a class="el" href="namespacegcu.html">gcu</a></li><li class="navelem"><a class="el" href="classgcu_1_1AtomMatchState.html">AtomMatchState</a></li>  </ul>
</div>
</div><!-- top -->
<div class="header">
  <div class="summary">
<a href="#pub-attribs">Public Attributes</a> &#124;
<a href="classgcu_1_1AtomMatchState-members.html">List of all members</a>  </div>
  <div class="headertitle">
<div class="title">gcu::AtomMatchState Class Reference</div>  </div>
</div><!--header-->
<div class="contents">

<p><code>#include &lt;<a class="el" href="gcu_2atom_8h_source.html">gcu/atom.h</a>&gt;</code></p>
<table class="memberdecls">
<tr class="heading"><td colspan="2"><h2 class="groupheader"><a name="pub-attribs"></a>
Public Attributes</h2></td></tr>
<tr class="memitem:ab0c9f96cb951d4916d34de0e7a5f52b2"><td class="memItemLeft" align="right" valign="top">std::map&lt; <a class="el" href="classgcu_1_1Atom.html">Atom</a> *, int &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1AtomMatchState.html#ab0c9f96cb951d4916d34de0e7a5f52b2">mol1</a></td></tr>
<tr class="separator:ab0c9f96cb951d4916d34de0e7a5f52b2"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:ac128db673118b0f92591983e8927ae8f"><td class="memItemLeft" align="right" valign="top">std::map&lt; <a class="el" href="classgcu_1_1Atom.html">Atom</a> *, int &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1AtomMatchState.html#ac128db673118b0f92591983e8927ae8f">mol2</a></td></tr>
<tr class="separator:ac128db673118b0f92591983e8927ae8f"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a63dd459c90617beef93a3639ae2c02e5"><td class="memItemLeft" align="right" valign="top">std::vector&lt; <a class="el" href="classgcu_1_1AtomPair.html">AtomPair</a> &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1AtomMatchState.html#a63dd459c90617beef93a3639ae2c02e5">atoms</a></td></tr>
<tr class="separator:a63dd459c90617beef93a3639ae2c02e5"><td class="memSeparator" colspan="2">&#160;</td></tr>
</table>
<a name="details" id="details"></a><h2 class="groupheader">Detailed Description</h2>
<div class="textblock"><p>This class is used when comparing molecules to store lists of corresponding atoms. </p>

<p class="definition">Definition at line <a class="el" href="gcu_2atom_8h_source.html#l00358">358</a> of file <a class="el" href="gcu_2atom_8h_source.html">gcu/atom.h</a>.</p>
</div><h2 class="groupheader">Member Data Documentation</h2>
<a id="a63dd459c90617beef93a3639ae2c02e5"></a>
<h2 class="memtitle"><span class="permalink"><a href="#a63dd459c90617beef93a3639ae2c02e5">&#9670;&nbsp;</a></span>atoms</h2>

<div class="memitem">
<div class="memproto">
      <table class="memname">
        <tr>
          <td class="memname">std::vector&lt;<a class="el" href="classgcu_1_1AtomPair.html">AtomPair</a>&gt; gcu::AtomMatchState::atoms</td>
        </tr>
      </table>
</div><div class="memdoc">
<p>The array of matched atoms. </p>

<p class="definition">Definition at line <a class="el" href="gcu_2atom_8h_source.html#l00375">375</a> of file <a class="el" href="gcu_2atom_8h_source.html">gcu/atom.h</a>.</p>

</div>
</div>
<a id="ab0c9f96cb951d4916d34de0e7a5f52b2"></a>
<h2 class="memtitle"><span class="permalink"><a href="#ab0c9f96cb951d4916d34de0e7a5f52b2">&#9670;&nbsp;</a></span>mol1</h2>

<div class="memitem">
<div class="memproto">
      <table class="memname">
        <tr>
          <td class="memname">std::map&lt;<a class="el" href="classgcu_1_1Atom.html">Atom</a>*, int&gt; gcu::AtomMatchState::mol1</td>
        </tr>
      </table>
</div><div class="memdoc">
<p>This map gives the index of atoms from the first molecule in <a class="el" href="classgcu_1_1AtomMatchState.html#a63dd459c90617beef93a3639ae2c02e5">gcu::AtomMatchState::atoms</a>. </p>

<p class="definition">Definition at line <a class="el" href="gcu_2atom_8h_source.html#l00365">365</a> of file <a class="el" href="gcu_2atom_8h_source.html">gcu/atom.h</a>.</p>

</div>
</div>
<a id="ac128db673118b0f92591983e8927ae8f"></a>
<h2 class="memtitle"><span class="permalink"><a href="#ac128db673118b0f92591983e8927ae8f">&#9670;&nbsp;</a></span>mol2</h2>

<div class="memitem">
<div class="memproto">
      <table class="memname">
        <tr>
          <td class="memname">std::map&lt;<a class="el" href="classgcu_1_1Atom.html">Atom</a>*, int&gt; gcu::AtomMatchState::mol2</td>
        </tr>
      </table>
</div><div class="memdoc">
<p>This map gives the index of atoms from the second molecule in <a class="el" href="classgcu_1_1AtomMatchState.html#a63dd459c90617beef93a3639ae2c02e5">gcu::AtomMatchState::atoms</a>. </p>

<p class="definition">Definition at line <a class="el" href="gcu_2atom_8h_source.html#l00370">370</a> of file <a class="el" href="gcu_2atom_8h_source.html">gcu/atom.h</a>.</p>

</div>
</div>
<hr/>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="gcu_2atom_8h_source.html">gcu/atom.h</a></li>
</ul>
</div><!-- contents -->
<!-- start footer part -->
<hr class="footer"/><address class="footer"><small>
Generated by &#160;<a href="http://www.doxygen.org/index.html">
<img class="footer" src="doxygen.png" alt="doxygen"/>
</a> 1.8.13
</small></address>
</body>
</html>