<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN"> <html><head><meta name="robots" content="noindex"> <meta http-equiv="Content-Type" content="text/html;charset=iso-8859-1"> <title>sc::VDWShape class Reference</title> <link href="doxygen.css" rel="stylesheet" type="text/css"> </head><body bgcolor="#ffffff"> <!-- Generated by Doxygen 1.2.5 on Mon Oct 14 14:18:04 2002 --> <center> <a class="qindex" href="index.html">Main Page</a> <a class="qindex" href="hierarchy.html">Class Hierarchy</a> <a class="qindex" href="annotated.html">Compound List</a> <a class="qindex" href="files.html">File List</a> <a class="qindex" href="functions.html">Compound Members</a> <a class="qindex" href="pages.html">Related Pages</a> </center> <hr><h1>sc::VDWShape Class Reference</h1>The <a class="el" href="class_sc__VDWShape.html">VDWShape</a> class describes the surface of a molecule as the union of atom centered spheres, each the van der Waals radius of the atom. <a href="#_details">More...</a> <p> <code>#include <<a class="el" href="molshape_h-source.html">molshape.h</a>></code> <p> Inheritance diagram for sc::VDWShape<p><center><img src="class_sc__VDWShape_inherit_graph.gif" border="0" usemap="#sc::VDWShape_inherit_map" alt="Inheritance graph"></center> <map name="sc::VDWShape_inherit_map"> <area href="class_sc__UnionShape.html" shape="rect" coords="81,480,177,499"> <area href="class_sc__Shape.html" shape="rect" coords="97,413,161,432"> <area href="class_sc__Volume.html" shape="rect" coords="91,347,166,365"> <area href="class_sc__Function.html" shape="rect" coords="89,280,169,299"> <area href="class_sc__SavableState.html" shape="rect" coords="21,213,122,232"> <area href="class_sc__DescribedClass.html" shape="rect" coords="14,147,129,165"> <area href="class_sc__RefCount.html" shape="rect" coords="30,80,113,99"> <area href="class_sc__Identity.html" shape="rect" coords="35,13,107,32"> <area href="class_sc__Compute.html" shape="rect" coords="146,213,226,232"> </map> <center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center>Collaboration diagram for sc::VDWShape:<p><center><img src="class_sc__VDWShape_coll_graph.gif" border="0" usemap="#sc::VDWShape_coll_map" alt="Collaboration graph"></center> <map name="sc::VDWShape_coll_map"> <area href="class_sc__UnionShape.html" shape="rect" coords="391,667,487,686"> <area href="class_sc__Shape.html" shape="rect" coords="407,598,471,617"> <area href="class_sc__Volume.html" shape="rect" coords="402,515,477,534"> <area href="class_sc__Function.html" shape="rect" coords="399,433,479,451"> <area href="class_sc__SavableState.html" shape="rect" coords="45,347,146,366"> <area href="class_sc__DescribedClass.html" shape="rect" coords="14,262,129,281"> <area href="class_sc__RefCount.html" shape="rect" coords="30,179,113,198"> <area href="class_sc__Identity.html" shape="rect" coords="35,97,107,115"> <area href="class_sc__Compute.html" shape="rect" coords="299,347,379,366"> <area href="class_sc__Ref.html" shape="rect" coords="406,305,547,323"> <area href="class_sc__RefBase.html" shape="rect" coords="601,179,678,198"> <area href="class_sc__Ref.html" shape="rect" coords="511,262,637,281"> <area href="class_sc__Ref.html" shape="rect" coords="661,262,807,281"> <area href="class_sc__Ref.html" shape="rect" coords="749,390,874,409"> <area href="class_sc__RefSCVector.html" shape="rect" coords="533,347,637,366"> <area href="class_sc__RefSCDimension.html" shape="rect" coords="663,347,789,366"> </map> <center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center><a href="class_sc__VDWShape-members.html">List of all members.</a><table border=0 cellpadding=0 cellspacing=0> <tr><td colspan=2><br><h2>Public Methods</h2></td></tr> <tr><td nowrap align=right valign=top><a name="a0" doxytag="sc::VDWShape::VDWShape"></a> </td><td valign=bottom><b>VDWShape</b> (const <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__Molecule.html">Molecule</a> > &)</td></tr> <tr><td nowrap align=right valign=top><a name="a1" doxytag="sc::VDWShape::VDWShape"></a> </td><td valign=bottom><b>VDWShape</b> (const <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__KeyVal.html">KeyVal</a> > &)</td></tr> <tr><td nowrap align=right valign=top><a name="a2" doxytag="sc::VDWShape::~VDWShape"></a> </td><td valign=bottom><b>~VDWShape</b> ()</td></tr> <tr><td nowrap align=right valign=top><a name="a3" doxytag="sc::VDWShape::initialize"></a> void </td><td valign=bottom><b>initialize</b> (const <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__Molecule.html">Molecule</a> > &)</td></tr> </table> <hr><a name="_details"></a><h2>Detailed Description</h2> The <a class="el" href="class_sc__VDWShape.html">VDWShape</a> class describes the surface of a molecule as the union of atom centered spheres, each the van der Waals radius of the atom. <p> <hr>The documentation for this class was generated from the following file:<ul> <li><a class="el" href="molshape_h-source.html">molshape.h</a></ul> <hr> <address> <small> Generated at Mon Oct 14 14:18:04 2002 for <a href="http://aros.ca.sandia.gov/~cljanss/mpqc">MPQC</a> 2.1.2 using the documentation package <a href="http://www.stack.nl/~dimitri/doxygen/index.html">Doxygen</a> 1.2.5. </small> </address> </body> </html>