<!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::AtomPair 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_1AtomPair.html">AtomPair</a> </div> </div> <div class="contents"> <h1>gcu::AtomPair Class Reference</h1><!-- doxytag: class="gcu::AtomPair" --> <p><code>#include <<a class="el" href="gcu_2atom_8h_source.html">gcu/atom.h</a>></code></p> <p><a href="classgcu_1_1AtomPair-members.html">List of all members.</a></p> <table border="0" cellpadding="0" cellspacing="0"> <tr><td colspan="2"><h2>Public Member Functions</h2></td></tr> <tr><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> <tr><td colspan="2"><h2>Public Attributes</h2></td></tr> <tr><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><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> <hr/><a name="_details"></a><h2>Detailed Description</h2> <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#l00290">290</a> of file <a class="el" href="gcu_2atom_8h_source.html">gcu/atom.h</a>.</p> <hr/><h2>Constructor & Destructor Documentation</h2> <a class="anchor" id="aa0b9033915e6eb9029955e76f0c35759"></a><!-- doxytag: member="gcu::AtomPair::AtomPair" ref="aa0b9033915e6eb9029955e76f0c35759" args="(Atom *at1, Atom *at2)" --> <div class="memitem"> <div class="memproto"> <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><td> </td> </tr> <tr> <td></td> <td>)</td> <td></td><td></td><td><code> [inline]</code></td> </tr> </table> </div> <div class="memdoc"> <dl><dt><b>Parameters:</b></dt><dd> <table border="0" cellspacing="2" cellpadding="0"> <tr><td valign="top"></td><td valign="top"><em>at1</em> </td><td>the first atom in the pair. </td></tr> <tr><td valign="top"></td><td valign="top"><em>at2</em> </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#l00299">299</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#l00304">atom1</a>, and <a class="el" href="gcu_2atom_8h_source.html#l00309">atom2</a>.</p> </div> </div> <hr/><h2>Member Data Documentation</h2> <a class="anchor" id="add5e93679f70f26ba6875ee3fdf41298"></a><!-- doxytag: member="gcu::AtomPair::atom1" ref="add5e93679f70f26ba6875ee3fdf41298" args="" --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname"><a class="el" href="classgcu_1_1Atom.html">Atom</a>* <a class="el" href="classgcu_1_1AtomPair.html#add5e93679f70f26ba6875ee3fdf41298">gcu::AtomPair::atom1</a></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#l00304">304</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#l00299">AtomPair()</a>.</p> </div> </div> <a class="anchor" id="a9d0a5da2b8deaea7bedaaf663a0b77b0"></a><!-- doxytag: member="gcu::AtomPair::atom2" ref="a9d0a5da2b8deaea7bedaaf663a0b77b0" args="" --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname"><a class="el" href="classgcu_1_1Atom.html">Atom</a>* <a class="el" href="classgcu_1_1AtomPair.html#a9d0a5da2b8deaea7bedaaf663a0b77b0">gcu::AtomPair::atom2</a></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#l00309">309</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#l00299">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> <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>