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<hr><h1>sc::CharacterTable Class Reference</h1>The <a class="el" href="class_sc__CharacterTable.html">CharacterTable</a> class provides a workable character table for all of the non-cubic point groups.
<a href="#_details">More...</a>
<p>
<code>#include <<a class="el" href="pointgrp_h-source.html">pointgrp.h</a>></code>
<p>
Collaboration diagram for sc::CharacterTable:<p><center><img src="class_sc__CharacterTable_coll_graph.gif" border="0" usemap="#sc::CharacterTable_coll_map" alt="Collaboration graph"></center>
<map name="sc::CharacterTable_coll_map">
<area href="class_sc__IrreducibleRepresentation.html" shape="rect" coords="14,96,185,115">
<area href="class_sc__SymRep.html" shape="rect" coords="61,13,138,32">
<area href="class_sc__SymmetryOperation.html" shape="rect" coords="209,96,350,115">
</map>
<center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center><a href="class_sc__CharacterTable-members.html">List of all members.</a><table border=0 cellpadding=0 cellspacing=0>
<tr><td colspan=2><br><h2>Public Types</h2></td></tr>
<tr><td nowrap align=right valign=top>enum </td><td valign=bottom><b>pgroups</b> { <br>
<b>C1</b>,
<b>CS</b>,
<b>CI</b>,
<b>CN</b>,
<br>
<b>CNV</b>,
<b>CNH</b>,
<b>DN</b>,
<b>DND</b>,
<br>
<b>DNH</b>,
<b>SN</b>,
<b>T</b>,
<b>TH</b>,
<br>
<b>TD</b>,
<b>O</b>,
<b>OH</b>,
<b>IH</b>
<br>
}</td></tr>
<tr><td colspan=2><br><h2>Public Methods</h2></td></tr>
<tr><td nowrap align=right valign=top><a name="a0" doxytag="sc::CharacterTable::CharacterTable"></a>
</td><td valign=bottom><b>CharacterTable</b> ()</td></tr>
<tr><td nowrap align=right valign=top><a name="a1" doxytag="sc::CharacterTable::CharacterTable"></a>
</td><td valign=bottom><a class="el" href="class_sc__CharacterTable.html#a1">CharacterTable</a> (const char *)</td></tr>
<tr><td> </td><td><font size=-1><em>This constructor takes the Schoenflies symbol of a point group as input.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top> </td><td valign=bottom><a class="el" href="class_sc__CharacterTable.html#a2">CharacterTable</a> (const char *,const <a class="el" href="class_sc__SymmetryOperation.html">SymmetryOperation</a> &)</td></tr>
<tr><td> </td><td><font size=-1><em>This is like the above, but it also takes a reference to a <a class="el" href="class_sc__SymmetryOperation.html">SymmetryOperation</a> which is the frame of reference.</em> <a href="#a2">More...</a><em></em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a3" doxytag="sc::CharacterTable::CharacterTable"></a>
</td><td valign=bottom><b>CharacterTable</b> (const CharacterTable &)</td></tr>
<tr><td nowrap align=right valign=top><a name="a4" doxytag="sc::CharacterTable::~CharacterTable"></a>
</td><td valign=bottom><b>~CharacterTable</b> ()</td></tr>
<tr><td nowrap align=right valign=top><a name="a5" doxytag="sc::CharacterTable::operator="></a>
CharacterTable& </td><td valign=bottom><b>operator=</b> (const CharacterTable &)</td></tr>
<tr><td nowrap align=right valign=top><a name="a6" doxytag="sc::CharacterTable::nirrep"></a>
int </td><td valign=bottom><a class="el" href="class_sc__CharacterTable.html#a6">nirrep</a> () const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the number of irreps.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a7" doxytag="sc::CharacterTable::order"></a>
int </td><td valign=bottom><a class="el" href="class_sc__CharacterTable.html#a7">order</a> () const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the order of the point group.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a8" doxytag="sc::CharacterTable::symbol"></a>
const char* </td><td valign=bottom><a class="el" href="class_sc__CharacterTable.html#a8">symbol</a> () const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the Schoenflies symbol for the point group.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a9" doxytag="sc::CharacterTable::gamma"></a>
<a class="el" href="class_sc__IrreducibleRepresentation.html">IrreducibleRepresentation</a>& </td><td valign=bottom><a class="el" href="class_sc__CharacterTable.html#a9">gamma</a> (int i)</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the i'th irrep.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a10" doxytag="sc::CharacterTable::symm_operation"></a>
<a class="el" href="class_sc__SymmetryOperation.html">SymmetryOperation</a>& </td><td valign=bottom><a class="el" href="class_sc__CharacterTable.html#a10">symm_operation</a> (int i)</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the i'th symmetry operation.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top>int </td><td valign=bottom><a class="el" href="class_sc__CharacterTable.html#a11">complex</a> () const</td></tr>
<tr><td> </td><td><font size=-1><em>Cn, Cnh, Sn, T, and Th point groups have complex representations.</em> <a href="#a11">More...</a><em></em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a12" doxytag="sc::CharacterTable::inverse"></a>
int </td><td valign=bottom><a class="el" href="class_sc__CharacterTable.html#a12">inverse</a> (int i) const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the index of the symop which is the inverse of symop[i].</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a13" doxytag="sc::CharacterTable::ncomp"></a>
int </td><td valign=bottom><b>ncomp</b> () const</td></tr>
<tr><td nowrap align=right valign=top><a name="a14" doxytag="sc::CharacterTable::which_irrep"></a>
int </td><td valign=bottom><a class="el" href="class_sc__CharacterTable.html#a14">which_irrep</a> (int i)</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the irrep component i belongs to.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a15" doxytag="sc::CharacterTable::which_comp"></a>
int </td><td valign=bottom><a class="el" href="class_sc__CharacterTable.html#a15">which_comp</a> (int i)</td></tr>
<tr><td> </td><td><font size=-1><em>Returns which component i is.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a16" doxytag="sc::CharacterTable::print"></a>
void </td><td valign=bottom><a class="el" href="class_sc__CharacterTable.html#a16">print</a> (std::ostream &=ExEnv::out0()) const</td></tr>
<tr><td> </td><td><font size=-1><em>This prints the irrep to the given file, or stdout if none is given.</em></font><br><br></td></tr>
</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
The <a class="el" href="class_sc__CharacterTable.html">CharacterTable</a> class provides a workable character table for all of the non-cubic point groups.
<p>
While I have tried to match the ordering in Cotton's book, I don't guarantee that it is always followed. It shouldn't matter anyway. Also note that I don't lump symmetry operations of the same class together. For example, in C3v there are two distinct C3 rotations and 3 distinct reflections, each with a separate character. Thus symop has 6 elements rather than the 3 you'll find in most published character tables.
<p>
<hr><h2>Constructor & Destructor Documentation</h2>
<a name="a2" doxytag="sc::CharacterTable::CharacterTable"></a><p>
<table width="100%" cellpadding="2" cellspacing="0" border="0">
<tr>
<td class="md">
<table cellpadding="0" cellspacing="0" border="0">
<tr>
<td nowrap valign="top"><b>
sc::CharacterTable::CharacterTable (
</b></td>
<td valign="bottom"><b>
const char *,
</b></td>
</tr>
<tr>
<td></td>
<td><b>
const <a class="el" href="class_sc__SymmetryOperation.html">SymmetryOperation</a> & )
</b></td>
</tr>
</table>
</td>
</tr>
</table>
<table cellspacing=5 cellpadding=0 border=0>
<tr>
<td>
</td>
<td>
<p>
This is like the above, but it also takes a reference to a <a class="el" href="class_sc__SymmetryOperation.html">SymmetryOperation</a> which is the frame of reference.
<p>
All symmetry operations are transformed to this frame of reference. </td>
</tr>
</table>
<hr><h2>Member Function Documentation</h2>
<a name="a11" doxytag="sc::CharacterTable::complex"></a><p>
<table width="100%" cellpadding="2" cellspacing="0" border="0">
<tr>
<td class="md">
<table cellpadding="0" cellspacing="0" border="0">
<tr>
<td nowrap valign="top"><b>
int sc::CharacterTable::complex (
</b></td>
<td valign="bottom"><b>
) const<code> [inline]</code>
</b></td>
</tr>
</table>
</td>
</tr>
</table>
<table cellspacing=5 cellpadding=0 border=0>
<tr>
<td>
</td>
<td>
<p>
Cn, Cnh, Sn, T, and Th point groups have complex representations.
<p>
This function returns 1 if the point group has a complex representation, 0 otherwise. </td>
</tr>
</table>
<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>
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