<!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"/> <title>The Gnome Chemistry Utils: gcu::AtomMatchState Class Reference</title> <link href="tabs.css" rel="stylesheet" type="text/css"/> <link href="doxygen.css" rel="stylesheet" type="text/css"/> </head> <body> <!-- Generated by Doxygen 1.6.1 --> <div class="navigation" id="top"> <div class="tabs"> <ul> <li><a href="index.html"><span>Main Page</span></a></li> <li><a href="namespaces.html"><span>Namespaces</span></a></li> <li class="current"><a href="annotated.html"><span>Classes</span></a></li> <li><a href="files.html"><span>Files</span></a></li> <li><a href="dirs.html"><span>Directories</span></a></li> </ul> </div> <div class="tabs"> <ul> <li><a href="annotated.html"><span>Class List</span></a></li> <li><a href="classes.html"><span>Class Index</span></a></li> <li><a href="hierarchy.html"><span>Class Hierarchy</span></a></li> <li><a href="functions.html"><span>Class Members</span></a></li> </ul> </div> <div class="navpath"><a class="el" href="namespacegcu.html">gcu</a>::<a class="el" href="classgcu_1_1AtomMatchState.html">AtomMatchState</a> </div> </div> <div class="contents"> <h1>gcu::AtomMatchState Class Reference</h1><!-- doxytag: class="gcu::AtomMatchState" --> <p><code>#include <<a class="el" href="gcu_2atom_8h_source.html">gcu/atom.h</a>></code></p> <p><a href="classgcu_1_1AtomMatchState-members.html">List of all members.</a></p> <table border="0" cellpadding="0" cellspacing="0"> <tr><td colspan="2"><h2>Public Attributes</h2></td></tr> <tr><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><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><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> </table> <hr/><a name="_details"></a><h2>Detailed Description</h2> <p>This class is used when comparing molecules to store lists of corresponding atoms. </p> <p>Definition at line <a class="el" href="gcu_2atom_8h_source.html#l00317">317</a> of file <a class="el" href="gcu_2atom_8h_source.html">gcu/atom.h</a>.</p> <hr/><h2>Member Data Documentation</h2> <a class="anchor" id="a63dd459c90617beef93a3639ae2c02e5"></a><!-- doxytag: member="gcu::AtomMatchState::atoms" ref="a63dd459c90617beef93a3639ae2c02e5" args="" --> <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>> <a class="el" href="classgcu_1_1AtomMatchState.html#a63dd459c90617beef93a3639ae2c02e5">gcu::AtomMatchState::atoms</a></td> </tr> </table> </div> <div class="memdoc"> <p>The array of matched atoms. </p> <p>Definition at line <a class="el" href="gcu_2atom_8h_source.html#l00334">334</a> of file <a class="el" href="gcu_2atom_8h_source.html">gcu/atom.h</a>.</p> </div> </div> <a class="anchor" id="ab0c9f96cb951d4916d34de0e7a5f52b2"></a><!-- doxytag: member="gcu::AtomMatchState::mol1" ref="ab0c9f96cb951d4916d34de0e7a5f52b2" args="" --> <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> <a class="el" href="classgcu_1_1AtomMatchState.html#ab0c9f96cb951d4916d34de0e7a5f52b2">gcu::AtomMatchState::mol1</a></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>Definition at line <a class="el" href="gcu_2atom_8h_source.html#l00324">324</a> of file <a class="el" href="gcu_2atom_8h_source.html">gcu/atom.h</a>.</p> </div> </div> <a class="anchor" id="ac128db673118b0f92591983e8927ae8f"></a><!-- doxytag: member="gcu::AtomMatchState::mol2" ref="ac128db673118b0f92591983e8927ae8f" args="" --> <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> <a class="el" href="classgcu_1_1AtomMatchState.html#ac128db673118b0f92591983e8927ae8f">gcu::AtomMatchState::mol2</a></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>Definition at line <a class="el" href="gcu_2atom_8h_source.html#l00329">329</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> <hr size="1"/><address style="text-align: right;"><small>Generated on Sun Sep 6 18:33:55 2009 for The Gnome Chemistry Utils by <a href="http://www.doxygen.org/index.html"> <img class="footer" src="doxygen.png" alt="doxygen"/></a> 1.6.1 </small></address> </body> </html>