<!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  <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> | <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 <<a class="el" href="gcu_2atom_8h_source.html">gcu/atom.h</a>></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< <a class="el" href="classgcu_1_1Atom.html">Atom</a> *, int > </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"> </td></tr> <tr class="memitem:ac128db673118b0f92591983e8927ae8f"><td class="memItemLeft" align="right" valign="top">std::map< <a class="el" href="classgcu_1_1Atom.html">Atom</a> *, int > </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"> </td></tr> <tr class="memitem:a63dd459c90617beef93a3639ae2c02e5"><td class="memItemLeft" align="right" valign="top">std::vector< <a class="el" href="classgcu_1_1AtomPair.html">AtomPair</a> > </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"> </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">◆ </a></span>atoms</h2> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">std::vector<<a class="el" href="classgcu_1_1AtomPair.html">AtomPair</a>> 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">◆ </a></span>mol1</h2> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">std::map<<a class="el" href="classgcu_1_1Atom.html">Atom</a>*, int> 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">◆ </a></span>mol2</h2> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">std::map<<a class="el" href="classgcu_1_1Atom.html">Atom</a>*, int> 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  <a href="http://www.doxygen.org/index.html"> <img class="footer" src="doxygen.png" alt="doxygen"/> </a> 1.8.13 </small></address> </body> </html>