<!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::ConnollyShape 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 14:16:47 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::ConnollyShape Class Reference</h1><a class="el" href="class_sc__DiscreteConnollyShape.html">DiscreteConnollyShape</a> and <a class="el" href="class_sc__ConnollyShape.html">ConnollyShape</a> should produce the same result. <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::ConnollyShape<p><center><img src="class_sc__ConnollyShape_inherit_graph.gif" border="0" usemap="#sc::ConnollyShape_inherit_map" alt="Inheritance graph"></center> <map name="sc::ConnollyShape_inherit_map"> <area href="class_sc__Shape.html" shape="rect" coords="97,414,161,433"> <area href="class_sc__Volume.html" shape="rect" coords="91,347,166,366"> <area href="class_sc__Function.html" shape="rect" coords="89,281,169,299"> <area href="class_sc__SavableState.html" shape="rect" coords="21,214,122,233"> <area href="class_sc__DescribedClass.html" shape="rect" coords="14,147,129,166"> <area href="class_sc__RefCount.html" shape="rect" coords="30,81,113,99"> <area href="class_sc__Identity.html" shape="rect" coords="35,14,107,33"> <area href="class_sc__Compute.html" shape="rect" coords="146,214,226,233"> </map> <center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center>Collaboration diagram for sc::ConnollyShape:<p><center><img src="class_sc__ConnollyShape_coll_graph.gif" border="0" usemap="#sc::ConnollyShape_coll_map" alt="Collaboration graph"></center> <map name="sc::ConnollyShape_coll_map"> <area href="class_sc__Shape.html" shape="rect" coords="446,584,510,603"> <area href="class_sc__Volume.html" shape="rect" coords="429,501,503,520"> <area href="class_sc__Function.html" shape="rect" coords="359,432,439,451"> <area href="class_sc__SavableState.html" shape="rect" coords="58,347,159,365"> <area href="class_sc__DescribedClass.html" shape="rect" coords="14,261,129,280"> <area href="class_sc__RefCount.html" shape="rect" coords="21,179,103,197"> <area href="class_sc__Identity.html" shape="rect" coords="26,96,98,115"> <area href="class_sc__Compute.html" shape="rect" coords="209,347,289,365"> <area href="class_sc__Ref.html" shape="rect" coords="311,304,453,323"> <area href="class_sc__RefBase.html" shape="rect" coords="542,179,619,197"> <area href="class_sc__Ref.html" shape="rect" coords="418,261,543,280"> <area href="class_sc__Ref.html" shape="rect" coords="567,261,714,280"> <area href="class_sc__Ref.html" shape="rect" coords="658,389,783,408"> <area href="class_sc__RefSCVector.html" shape="rect" coords="442,347,546,365"> <area href="class_sc__RefSCDimension.html" shape="rect" coords="577,347,702,365"> </map> <center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center><a href="class_sc__ConnollyShape-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::ConnollyShape::ConnollyShape"></a> </td><td valign=bottom><b>ConnollyShape</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="a1" doxytag="sc::ConnollyShape::~ConnollyShape"></a> </td><td valign=bottom><b>~ConnollyShape</b> ()</td></tr> <tr><td nowrap align=right valign=top><a name="a2" doxytag="sc::ConnollyShape::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> > &,double probe_radius)</td></tr> <tr><td nowrap align=right valign=top><a name="a3" doxytag="sc::ConnollyShape::clear"></a> void </td><td valign=bottom><b>clear</b> ()</td></tr> <tr><td nowrap align=right valign=top><a name="a4" doxytag="sc::ConnollyShape::distance_to_surface"></a> double </td><td valign=bottom><b>distance_to_surface</b> (const SCVector3 &r, SCVector3 *grad=0) const</td></tr> <tr><td nowrap align=right valign=top><a name="a5" doxytag="sc::ConnollyShape::boundingbox"></a> void </td><td valign=bottom><b>boundingbox</b> (double valuemin, double valuemax, SCVector3 &p1, SCVector3 &p2)</td></tr> <tr><td colspan=2><br><h2>Static Public Methods</h2></td></tr> <tr><td nowrap align=right valign=top><a name="d0" doxytag="sc::ConnollyShape::print_counts"></a> void </td><td valign=bottom><b>print_counts</b> (std::ostream &=ExEnv::out0())</td></tr> </table> <hr><a name="_details"></a><h2>Detailed Description</h2> <a class="el" href="class_sc__DiscreteConnollyShape.html">DiscreteConnollyShape</a> and <a class="el" href="class_sc__ConnollyShape.html">ConnollyShape</a> should produce the same result. <p> The discrete version is a shape union of discrete subshapes and is slower. These classes describe the solvent accessible surface of a molecule. <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 14:16:48 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>
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