<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN"> <html><head><meta http-equiv="Content-Type" content="text/html;charset=UTF-8"> <title>MPQC: sc::Volume 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 1.5.9 --> <div class="navigation" id="top"> <div class="tabs"> <ul> <li><a href="index.html"><span>Main Page</span></a></li> <li><a href="pages.html"><span>Related Pages</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 class="tabs"> <ul> <li><a href="annotated.html"><span>Class List</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"><b>sc</b>::<a class="el" href="classsc_1_1Volume.html">Volume</a> </div> </div> <div class="contents"> <h1>sc::Volume Class Reference</h1><!-- doxytag: class="sc::Volume" --><!-- doxytag: inherits="sc::Function" -->A <a class="el" href="classsc_1_1Volume.html" title="A Volume is a Function of three variables.">Volume</a> is a <a class="el" href="classsc_1_1Function.html" title="The Function class is an abstract base class that, given a set of coordinates, will...">Function</a> of three variables. <a href="#_details">More...</a> <p> <code>#include <<a class="el" href="volume_8h_source.html">volume.h</a>></code> <p> <div class="dynheader"> Inheritance diagram for sc::Volume:</div> <div class="dynsection"> <p><center><img src="classsc_1_1Volume.png" usemap="#sc::Volume_map" border="0" alt=""></center> <map name="sc::Volume_map"> <area href="classsc_1_1Function.html" alt="sc::Function" shape="rect" coords="174,224,338,248"> <area href="classsc_1_1SavableState.html" alt="sc::SavableState" shape="rect" coords="87,168,251,192"> <area href="classsc_1_1Compute.html" alt="sc::Compute" shape="rect" coords="261,168,425,192"> <area href="classsc_1_1DescribedClass.html" alt="sc::DescribedClass" shape="rect" coords="87,112,251,136"> <area href="classsc_1_1RefCount.html" alt="sc::RefCount" shape="rect" coords="87,56,251,80"> <area href="classsc_1_1Identity.html" alt="sc::Identity" shape="rect" coords="87,0,251,24"> <area href="classsc_1_1BatchElectronDensity.html" alt="sc::BatchElectronDensity" shape="rect" coords="0,336,164,360"> <area href="classsc_1_1ElectronDensity.html" alt="sc::ElectronDensity" shape="rect" coords="174,336,338,360"> <area href="classsc_1_1Shape.html" alt="sc::Shape" shape="rect" coords="348,336,512,360"> <area href="classsc_1_1ConnollyShape.html" alt="sc::ConnollyShape" shape="rect" coords="261,392,425,416"> <area href="classsc_1_1UnionShape.html" alt="sc::UnionShape" shape="rect" coords="435,392,599,416"> <area href="classsc_1_1DiscreteConnollyShape.html" alt="sc::DiscreteConnollyShape" shape="rect" coords="348,448,512,472"> <area href="classsc_1_1VDWShape.html" alt="sc::VDWShape" shape="rect" coords="522,448,686,472"> </map> </div> <p> <a href="classsc_1_1Volume-members.html">List of all members.</a><table border="0" cellpadding="0" cellspacing="0"> <tr><td></td></tr> <tr><td colspan="2"><br><h2>Public Member Functions</h2></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="b3db51a7ca4d5690a28b4f17ab440eb7"></a><!-- doxytag: member="sc::Volume::Volume" ref="b3db51a7ca4d5690a28b4f17ab440eb7" args="(const Ref< KeyVal > &)" --> </td><td class="memItemRight" valign="bottom"><b>Volume</b> (const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1KeyVal.html">KeyVal</a> > &)</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="239f20fa94ad8b4dc84d117160deda35"></a><!-- doxytag: member="sc::Volume::set_gradient" ref="239f20fa94ad8b4dc84d117160deda35" args="(const SCVector3 &g)" --> void </td><td class="memItemRight" valign="bottom"><b>set_gradient</b> (const SCVector3 &g)</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="0bf507b769b8e50a3742bcc28b4417f9"></a><!-- doxytag: member="sc::Volume::set_gradient" ref="0bf507b769b8e50a3742bcc28b4417f9" args="(RefSCVector &g)" --> void </td><td class="memItemRight" valign="bottom"><b>set_gradient</b> (<a class="el" href="classsc_1_1RefSCVector.html">RefSCVector</a> &g)</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="5ff28a0a7857ed21722e9867c3082c8f"></a><!-- doxytag: member="sc::Volume::get_gradient" ref="5ff28a0a7857ed21722e9867c3082c8f" args="(SCVector3 &g)" --> void </td><td class="memItemRight" valign="bottom"><b>get_gradient</b> (SCVector3 &g)</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="6d0bf3cea1241b2a14405d070914c949"></a><!-- doxytag: member="sc::Volume::set_x" ref="6d0bf3cea1241b2a14405d070914c949" args="(const SCVector3 &x)" --> void </td><td class="memItemRight" valign="bottom"><b>set_x</b> (const SCVector3 &x)</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="ead8dfca7ab12cab2ca283dd5a425846"></a><!-- doxytag: member="sc::Volume::set_x" ref="ead8dfca7ab12cab2ca283dd5a425846" args="(const RefSCVector &x)" --> void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1Volume.html#ead8dfca7ab12cab2ca283dd5a425846">set_x</a> (const <a class="el" href="classsc_1_1RefSCVector.html">RefSCVector</a> &x)</td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">Set and retrieve the coordinate values. <br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="fe7a62348c0ff44be4a329bf00e3b1d8"></a><!-- doxytag: member="sc::Volume::get_x" ref="fe7a62348c0ff44be4a329bf00e3b1d8" args="(SCVector3 &x)" --> void </td><td class="memItemRight" valign="bottom"><b>get_x</b> (SCVector3 &x)</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="96e3b9d0862694555f1e432210963523"></a><!-- doxytag: member="sc::Volume::boundingbox" ref="96e3b9d0862694555f1e432210963523" args="(double valuemin, double valuemax, SCVector3 &p1, SCVector3 &p2)=0" --> virtual void </td><td class="memItemRight" valign="bottom"><b>boundingbox</b> (double valuemin, double valuemax, SCVector3 &p1, SCVector3 &p2)=0</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="112121000552042ec73f0b5a23492423"></a><!-- doxytag: member="sc::Volume::interpolate" ref="112121000552042ec73f0b5a23492423" args="(const SCVector3 &p1, const SCVector3 &p2, double value, SCVector3 &result)" --> virtual void </td><td class="memItemRight" valign="bottom"><b>interpolate</b> (const SCVector3 &p1, const SCVector3 &p2, double value, SCVector3 &result)</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="9bfe191a60bbbf45e3ea621c7293e1e9"></a><!-- doxytag: member="sc::Volume::solve" ref="9bfe191a60bbbf45e3ea621c7293e1e9" args="(const SCVector3 &p, const SCVector3 &grad, double value, SCVector3 &result)" --> virtual void </td><td class="memItemRight" valign="bottom"><b>solve</b> (const SCVector3 &p, const SCVector3 &grad, double value, SCVector3 &result)</td></tr> <tr><td colspan="2"><br><h2>Protected Member Functions</h2></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="3d12f422c78165cb585b7096b162d970"></a><!-- doxytag: member="sc::Volume::interpolation_accuracy" ref="3d12f422c78165cb585b7096b162d970" args="()" --> double & </td><td class="memItemRight" valign="bottom"><b>interpolation_accuracy</b> ()</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top">virtual void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1Volume.html#021d39d50208f5fbaf57f84f81fbbaf4">compute</a> ()=0</td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">Recompute at least the results that have compute true and are not already computed. <a href="#021d39d50208f5fbaf57f84f81fbbaf4"></a><br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="7237f16f5f9c4dac94df2c10bd6fc61a"></a><!-- doxytag: member="sc::Volume::failure" ref="7237f16f5f9c4dac94df2c10bd6fc61a" args="(const char *)" --> virtual void </td><td class="memItemRight" valign="bottom"><b>failure</b> (const char *)</td></tr> </table> <hr><a name="_details"></a><h2>Detailed Description</h2> A <a class="el" href="classsc_1_1Volume.html" title="A Volume is a Function of three variables.">Volume</a> is a <a class="el" href="classsc_1_1Function.html" title="The Function class is an abstract base class that, given a set of coordinates, will...">Function</a> of three variables. <p> <hr><h2>Member Function Documentation</h2> <a class="anchor" name="021d39d50208f5fbaf57f84f81fbbaf4"></a><!-- doxytag: member="sc::Volume::compute" ref="021d39d50208f5fbaf57f84f81fbbaf4" args="()=0" --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">virtual void sc::Volume::compute </td> <td>(</td> <td class="paramname"> </td> <td> ) </td> <td><code> [protected, pure virtual]</code></td> </tr> </table> </div> <div class="memdoc"> <p> Recompute at least the results that have compute true and are not already computed. <p> This should only be called by Result's members. <p>Implements <a class="el" href="classsc_1_1Compute.html#33f07c9eb2bfeba367f24d537c28c462">sc::Compute</a>.</p> <p>Implemented in <a class="el" href="classsc_1_1ElectronDensity.html#22b35573417cca20c48bebccc1bc62ac">sc::ElectronDensity</a>, <a class="el" href="classsc_1_1BatchElectronDensity.html#6dcf55ab4e79bc405ca2eb99820d4c45">sc::BatchElectronDensity</a>, and <a class="el" href="classsc_1_1Shape.html#e6781a2c36b01c0570b6d8f612410499">sc::Shape</a>.</p> </div> </div><p> <hr>The documentation for this class was generated from the following files:<ul> <li><a class="el" href="volume_8h_source.html">volume.h</a><li><a class="el" href="volume__i_8h_source.html">volume_i.h</a></ul> </div> <hr> <address> <small> Generated at Wed Oct 14 14:12:15 2009 for <a href="http://www.mpqc.org">MPQC</a> 2.3.1 using the documentation package <a href="http://www.doxygen.org">Doxygen</a> 1.5.9. </small> </address> </body> </html>