<!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"/> <title>The Gnome Chemistry Utils: gcu::AtomPair 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 style="padding-left: 0.5em;"> <div id="projectname">The Gnome Chemistry Utils  <span id="projectnumber">0.14.2</span> </div> </td> </tr> </tbody> </table> </div> <!-- end header part --> <!-- Generated by Doxygen 1.8.1.2 --> <div id="navrow1" class="tabs"> <ul class="tablist"> <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> </ul> </div> <div id="navrow2" class="tabs2"> <ul class="tablist"> <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 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_1AtomPair.html">AtomPair</a></li> </ul> </div> </div><!-- top --> <div class="header"> <div class="summary"> <a href="#pub-methods">Public Member Functions</a> | <a href="#pub-attribs">Public Attributes</a> | <a href="classgcu_1_1AtomPair-members.html">List of all members</a> </div> <div class="headertitle"> <div class="title">gcu::AtomPair 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><a name="pub-methods"></a> Public Member Functions</h2></td></tr> <tr class="memitem:aa0b9033915e6eb9029955e76f0c35759"><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1AtomPair.html#aa0b9033915e6eb9029955e76f0c35759">AtomPair</a> (<a class="el" href="classgcu_1_1Atom.html">Atom</a> *at1, <a class="el" href="classgcu_1_1Atom.html">Atom</a> *at2)</td></tr> </table><table class="memberdecls"> <tr class="heading"><td colspan="2"><h2><a name="pub-attribs"></a> Public Attributes</h2></td></tr> <tr class="memitem:add5e93679f70f26ba6875ee3fdf41298"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Atom.html">Atom</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1AtomPair.html#add5e93679f70f26ba6875ee3fdf41298">atom1</a></td></tr> <tr class="memitem:a9d0a5da2b8deaea7bedaaf663a0b77b0"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Atom.html">Atom</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1AtomPair.html#a9d0a5da2b8deaea7bedaaf663a0b77b0">atom2</a></td></tr> </table> <a name="details" id="details"></a><h2>Detailed Description</h2> <div class="textblock"><p>This class stores atoms pairs. It is used when comparing two molecules. </p> <p>Definition at line <a class="el" href="gcu_2atom_8h_source.html#l00331">331</a> of file <a class="el" href="gcu_2atom_8h_source.html">gcu/atom.h</a>.</p> </div><h2>Constructor & Destructor Documentation</h2> <a class="anchor" id="aa0b9033915e6eb9029955e76f0c35759"></a> <div class="memitem"> <div class="memproto"> <table class="mlabels"> <tr> <td class="mlabels-left"> <table class="memname"> <tr> <td class="memname">gcu::AtomPair::AtomPair </td> <td>(</td> <td class="paramtype"><a class="el" href="classgcu_1_1Atom.html">Atom</a> * </td> <td class="paramname"><em>at1</em>, </td> </tr> <tr> <td class="paramkey"></td> <td></td> <td class="paramtype"><a class="el" href="classgcu_1_1Atom.html">Atom</a> * </td> <td class="paramname"><em>at2</em> </td> </tr> <tr> <td></td> <td>)</td> <td></td><td></td> </tr> </table> </td> <td class="mlabels-right"> <span class="mlabels"><span class="mlabel">inline</span></span> </td> </tr> </table> </div><div class="memdoc"> <dl class="params"><dt>Parameters</dt><dd> <table class="params"> <tr><td class="paramname">at1</td><td>the first atom in the pair. </td></tr> <tr><td class="paramname">at2</td><td>the second atom in the pair.</td></tr> </table> </dd> </dl> <p>Constructs the atoms pair from two atoms. </p> <p>Definition at line <a class="el" href="gcu_2atom_8h_source.html#l00340">340</a> of file <a class="el" href="gcu_2atom_8h_source.html">gcu/atom.h</a>.</p> <p>References <a class="el" href="gcu_2atom_8h_source.html#l00345">atom1</a>, and <a class="el" href="gcu_2atom_8h_source.html#l00350">atom2</a>.</p> </div> </div> <h2>Member Data Documentation</h2> <a class="anchor" id="add5e93679f70f26ba6875ee3fdf41298"></a> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname"><a class="el" href="classgcu_1_1Atom.html">Atom</a>* gcu::AtomPair::atom1</td> </tr> </table> </div><div class="memdoc"> <p>The first atom of the pair. </p> <p>Definition at line <a class="el" href="gcu_2atom_8h_source.html#l00345">345</a> of file <a class="el" href="gcu_2atom_8h_source.html">gcu/atom.h</a>.</p> <p>Referenced by <a class="el" href="gcu_2atom_8h_source.html#l00340">AtomPair()</a>.</p> </div> </div> <a class="anchor" id="a9d0a5da2b8deaea7bedaaf663a0b77b0"></a> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname"><a class="el" href="classgcu_1_1Atom.html">Atom</a>* gcu::AtomPair::atom2</td> </tr> </table> </div><div class="memdoc"> <p>The second atom of the pair. </p> <p>Definition at line <a class="el" href="gcu_2atom_8h_source.html#l00350">350</a> of file <a class="el" href="gcu_2atom_8h_source.html">gcu/atom.h</a>.</p> <p>Referenced by <a class="el" href="gcu_2atom_8h_source.html#l00340">AtomPair()</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 on Thu Mar 14 2013 17:34:31 for The Gnome Chemistry Utils by  <a href="http://www.doxygen.org/index.html"> <img class="footer" src="doxygen.png" alt="doxygen"/> </a> 1.8.1.2 </small></address> </body> </html>