<!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::SymmetryOperation 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 14:17:57 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::SymmetryOperation Class Reference</h1>The <a class="el" href="class_sc__SymmetryOperation.html">SymmetryOperation</a> class provides a 3 by 3 matrix representation of a symmetry operation, such as a rotation or reflection. <a href="#_details">More...</a> <p> <code>#include <<a class="el" href="pointgrp_h-source.html">pointgrp.h</a>></code> <p> <a href="class_sc__SymmetryOperation-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::SymmetryOperation::SymmetryOperation"></a> </td><td valign=bottom><b>SymmetryOperation</b> ()</td></tr> <tr><td nowrap align=right valign=top><a name="a1" doxytag="sc::SymmetryOperation::SymmetryOperation"></a> </td><td valign=bottom><b>SymmetryOperation</b> (const SymmetryOperation &)</td></tr> <tr><td nowrap align=right valign=top><a name="a2" doxytag="sc::SymmetryOperation::~SymmetryOperation"></a> </td><td valign=bottom><b>~SymmetryOperation</b> ()</td></tr> <tr><td nowrap align=right valign=top><a name="a3" doxytag="sc::SymmetryOperation::trace"></a> double </td><td valign=bottom><a class="el" href="class_sc__SymmetryOperation.html#a3">trace</a> () const</td></tr> <tr><td> </td><td><font size=-1><em>returns the trace of the transformation matrix.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a4" doxytag="sc::SymmetryOperation::operator[]"></a> double* </td><td valign=bottom><a class="el" href="class_sc__SymmetryOperation.html#a4">operator[]</a> (int i)</td></tr> <tr><td> </td><td><font size=-1><em>returns the i'th row of the transformation matrix.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a5" doxytag="sc::SymmetryOperation::operator[]"></a> const double* </td><td valign=bottom><a class="el" href="class_sc__SymmetryOperation.html#a5">operator[]</a> (int i) const</td></tr> <tr><td> </td><td><font size=-1><em>const version of the above.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a6" doxytag="sc::SymmetryOperation::operator()"></a> double& </td><td valign=bottom><a class="el" href="class_sc__SymmetryOperation.html#a6">operator()</a> (int i, int j)</td></tr> <tr><td> </td><td><font size=-1><em>returns a reference to the (i,j)th element of the transformation matrix.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a7" doxytag="sc::SymmetryOperation::operator()"></a> double </td><td valign=bottom><a class="el" href="class_sc__SymmetryOperation.html#a7">operator()</a> (int i, int j) const</td></tr> <tr><td> </td><td><font size=-1><em>const version of the above.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a8" doxytag="sc::SymmetryOperation::zero"></a> void </td><td valign=bottom><a class="el" href="class_sc__SymmetryOperation.html#a8">zero</a> ()</td></tr> <tr><td> </td><td><font size=-1><em>zero out the symop.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a9" doxytag="sc::SymmetryOperation::operate"></a> SymmetryOperation </td><td valign=bottom><a class="el" href="class_sc__SymmetryOperation.html#a9">operate</a> (const SymmetryOperation &r) const</td></tr> <tr><td> </td><td><font size=-1><em>This operates on this with r (i.e. return r * this).</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a10" doxytag="sc::SymmetryOperation::transform"></a> SymmetryOperation </td><td valign=bottom><a class="el" href="class_sc__SymmetryOperation.html#a10">transform</a> (const SymmetryOperation &r) const</td></tr> <tr><td> </td><td><font size=-1><em>This performs the transform r * this * r~.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a11" doxytag="sc::SymmetryOperation::unit"></a> void </td><td valign=bottom><a class="el" href="class_sc__SymmetryOperation.html#a11">unit</a> ()</td></tr> <tr><td> </td><td><font size=-1><em>Set equal to a unit matrix.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a12" doxytag="sc::SymmetryOperation::E"></a> void </td><td valign=bottom><a class="el" href="class_sc__SymmetryOperation.html#a12">E</a> ()</td></tr> <tr><td> </td><td><font size=-1><em>Set equal to E.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a13" doxytag="sc::SymmetryOperation::i"></a> void </td><td valign=bottom><a class="el" href="class_sc__SymmetryOperation.html#a13">i</a> ()</td></tr> <tr><td> </td><td><font size=-1><em>Set equal to an inversion.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a14" doxytag="sc::SymmetryOperation::sigma_h"></a> void </td><td valign=bottom><a class="el" href="class_sc__SymmetryOperation.html#a14">sigma_h</a> ()</td></tr> <tr><td> </td><td><font size=-1><em>Set equal to reflection in xy plane.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a15" doxytag="sc::SymmetryOperation::sigma_xz"></a> void </td><td valign=bottom><a class="el" href="class_sc__SymmetryOperation.html#a15">sigma_xz</a> ()</td></tr> <tr><td> </td><td><font size=-1><em>Set equal to reflection in xz plane.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a16" doxytag="sc::SymmetryOperation::sigma_yz"></a> void </td><td valign=bottom><a class="el" href="class_sc__SymmetryOperation.html#a16">sigma_yz</a> ()</td></tr> <tr><td> </td><td><font size=-1><em>Set equal to reflection in yz plane.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a17" doxytag="sc::SymmetryOperation::rotation"></a> void </td><td valign=bottom><a class="el" href="class_sc__SymmetryOperation.html#a17">rotation</a> (int n)</td></tr> <tr><td> </td><td><font size=-1><em>Set equal to a clockwise rotation by 2pi/n.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a18" doxytag="sc::SymmetryOperation::rotation"></a> void </td><td valign=bottom><b>rotation</b> (double theta)</td></tr> <tr><td nowrap align=right valign=top><a name="a19" doxytag="sc::SymmetryOperation::c2_x"></a> void </td><td valign=bottom><a class="el" href="class_sc__SymmetryOperation.html#a19">c2_x</a> ()</td></tr> <tr><td> </td><td><font size=-1><em>Set equal to C2 about the x axis.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a20" doxytag="sc::SymmetryOperation::c2_y"></a> void </td><td valign=bottom><a class="el" href="class_sc__SymmetryOperation.html#a20">c2_y</a> ()</td></tr> <tr><td> </td><td><font size=-1><em>Set equal to C2 about the x axis.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a21" doxytag="sc::SymmetryOperation::transpose"></a> void </td><td valign=bottom><b>transpose</b> ()</td></tr> <tr><td nowrap align=right valign=top><a name="a22" doxytag="sc::SymmetryOperation::print"></a> void </td><td valign=bottom><a class="el" href="class_sc__SymmetryOperation.html#a22">print</a> (std::ostream &=ExEnv::out0()) const</td></tr> <tr><td> </td><td><font size=-1><em>print the matrix.</em></font><br><br></td></tr> </table> <hr><a name="_details"></a><h2>Detailed Description</h2> The <a class="el" href="class_sc__SymmetryOperation.html">SymmetryOperation</a> class provides a 3 by 3 matrix representation of a symmetry operation, such as a rotation or reflection. <p> <hr>The documentation for this class was generated from the following file:<ul> <li><a class="el" href="pointgrp_h-source.html">pointgrp.h</a></ul> <hr> <address> <small> Generated at Mon Oct 14 14:17:57 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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