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  <div class="navpath"><b>sc</b>::<a class="el" href="classsc_1_1CharacterTable.html">CharacterTable</a>
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<h1>sc::CharacterTable Class Reference</h1><!-- doxytag: class="sc::CharacterTable" -->The <a class="el" href="classsc_1_1CharacterTable.html" title="The CharacterTable class provides a workable character table for all of the non-cubic...">CharacterTable</a> class provides a workable character table for all of the non-cubic point groups.  
<a href="#_details">More...</a>
<p>
<code>#include &lt;<a class="el" href="pointgrp_8h_source.html">pointgrp.h</a>&gt;</code>
<p>

<p>
<a href="classsc_1_1CharacterTable-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 Types</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">enum &nbsp;</td><td class="memItemRight" valign="bottom"><b>pgroups</b> { <br>
&nbsp;&nbsp;<b>C1</b>, 
<b>CS</b>, 
<b>CI</b>, 
<b>CN</b>, 
<br>
&nbsp;&nbsp;<b>CNV</b>, 
<b>CNH</b>, 
<b>DN</b>, 
<b>DND</b>, 
<br>
&nbsp;&nbsp;<b>DNH</b>, 
<b>SN</b>, 
<b>T</b>, 
<b>TH</b>, 
<br>
&nbsp;&nbsp;<b>TD</b>, 
<b>O</b>, 
<b>OH</b>, 
<b>I</b>, 
<br>
&nbsp;&nbsp;<b>IH</b>
<br>
 }</td></tr>

<tr><td colspan="2"><br><h2>Public Member Functions</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1CharacterTable.html#2c3367c4631159386b7ef5b6ceb4a698">CharacterTable</a> (const char *)</td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">This constructor takes the Schoenflies symbol of a point group as input.  <a href="#2c3367c4631159386b7ef5b6ceb4a698"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1CharacterTable.html#e7dd340ce8a8cbfab8f8250399e8109a">CharacterTable</a> (const char *, const <a class="el" href="classsc_1_1SymmetryOperation.html">SymmetryOperation</a> &amp;)</td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">This is like the above, but it also takes a reference to a <a class="el" href="classsc_1_1SymmetryOperation.html" title="The SymmetryOperation class provides a 3 by 3 matrix representation of a symmetry...">SymmetryOperation</a> which is the frame of reference.  <a href="#e7dd340ce8a8cbfab8f8250399e8109a"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="740fe81ca6a365e8c849a4d2432fac9b"></a><!-- doxytag: member="sc::CharacterTable::CharacterTable" ref="740fe81ca6a365e8c849a4d2432fac9b" args="(const CharacterTable &amp;)" -->
&nbsp;</td><td class="memItemRight" valign="bottom"><b>CharacterTable</b> (const <a class="el" href="classsc_1_1CharacterTable.html">CharacterTable</a> &amp;)</td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="fe45ee4bd5f43169ad2cd0440fe66e2e"></a><!-- doxytag: member="sc::CharacterTable::operator=" ref="fe45ee4bd5f43169ad2cd0440fe66e2e" args="(const CharacterTable &amp;)" -->
<a class="el" href="classsc_1_1CharacterTable.html">CharacterTable</a> &amp;&nbsp;</td><td class="memItemRight" valign="bottom"><b>operator=</b> (const <a class="el" href="classsc_1_1CharacterTable.html">CharacterTable</a> &amp;)</td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="2dad8da0a625f430f73c32e61a4d1986"></a><!-- doxytag: member="sc::CharacterTable::nirrep" ref="2dad8da0a625f430f73c32e61a4d1986" args="() const " -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1CharacterTable.html#2dad8da0a625f430f73c32e61a4d1986">nirrep</a> () const </td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Returns the number of irreps. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="7bb4fa56985a5388538c766cfce36a76"></a><!-- doxytag: member="sc::CharacterTable::order" ref="7bb4fa56985a5388538c766cfce36a76" args="() const " -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1CharacterTable.html#7bb4fa56985a5388538c766cfce36a76">order</a> () const </td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Returns the order of the point group. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="1c4b25e2a4062a4da8f66c5f0eb397a5"></a><!-- doxytag: member="sc::CharacterTable::symbol" ref="1c4b25e2a4062a4da8f66c5f0eb397a5" args="() const " -->
const char *&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1CharacterTable.html#1c4b25e2a4062a4da8f66c5f0eb397a5">symbol</a> () const </td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Returns the Schoenflies symbol for the point group. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="47f976fd950316d453adc8393ade97ed"></a><!-- doxytag: member="sc::CharacterTable::gamma" ref="47f976fd950316d453adc8393ade97ed" args="(int i)" -->
<a class="el" href="classsc_1_1IrreducibleRepresentation.html">IrreducibleRepresentation</a> &amp;&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1CharacterTable.html#47f976fd950316d453adc8393ade97ed">gamma</a> (int i)</td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Returns the i'th irrep. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="55636f276179d3f7424704ede3f73d4f"></a><!-- doxytag: member="sc::CharacterTable::symm_operation" ref="55636f276179d3f7424704ede3f73d4f" args="(int i)" -->
<a class="el" href="classsc_1_1SymmetryOperation.html">SymmetryOperation</a> &amp;&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1CharacterTable.html#55636f276179d3f7424704ede3f73d4f">symm_operation</a> (int i)</td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Returns the i'th symmetry operation. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1CharacterTable.html#b85d1b39f4e403a6bd254f3861e95098">complex</a> () const </td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Cn, Cnh, Sn, T, and Th point groups have complex representations.  <a href="#b85d1b39f4e403a6bd254f3861e95098"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="2a8e3c5e87099848aaddaafa087c93bd"></a><!-- doxytag: member="sc::CharacterTable::inverse" ref="2a8e3c5e87099848aaddaafa087c93bd" args="(int i) const " -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1CharacterTable.html#2a8e3c5e87099848aaddaafa087c93bd">inverse</a> (int i) const </td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Returns the index of the symop which is the inverse of symop[i]. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="c7470c1e42905f69b49724b7ad75a85f"></a><!-- doxytag: member="sc::CharacterTable::ncomp" ref="c7470c1e42905f69b49724b7ad75a85f" args="() const " -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><b>ncomp</b> () const </td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="25479dcf0fbfb7a9b9a6f0ad6f7d51c5"></a><!-- doxytag: member="sc::CharacterTable::which_irrep" ref="25479dcf0fbfb7a9b9a6f0ad6f7d51c5" args="(int i)" -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1CharacterTable.html#25479dcf0fbfb7a9b9a6f0ad6f7d51c5">which_irrep</a> (int i)</td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Returns the irrep component i belongs to. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="d71b793b2016ed1a7fcda8257fd7eee9"></a><!-- doxytag: member="sc::CharacterTable::which_comp" ref="d71b793b2016ed1a7fcda8257fd7eee9" args="(int i)" -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1CharacterTable.html#d71b793b2016ed1a7fcda8257fd7eee9">which_comp</a> (int i)</td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Returns which component i is. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="ae0e0508bf983e963ca343f3c949577c"></a><!-- doxytag: member="sc::CharacterTable::print" ref="ae0e0508bf983e963ca343f3c949577c" args="(std::ostream &amp;=ExEnv::out0()) const " -->
void&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1CharacterTable.html#ae0e0508bf983e963ca343f3c949577c">print</a> (std::ostream &amp;=ExEnv::out0()) const </td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">This prints the irrep to the given file, or stdout if none is given. <br></td></tr>
</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
The <a class="el" href="classsc_1_1CharacterTable.html" title="The CharacterTable class provides a workable character table for all of the non-cubic...">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. <hr><h2>Constructor &amp; Destructor Documentation</h2>
<a class="anchor" name="2c3367c4631159386b7ef5b6ceb4a698"></a><!-- doxytag: member="sc::CharacterTable::CharacterTable" ref="2c3367c4631159386b7ef5b6ceb4a698" args="(const char *)" -->
<div class="memitem">
<div class="memproto">
      <table class="memname">
        <tr>
          <td class="memname">sc::CharacterTable::CharacterTable           </td>
          <td>(</td>
          <td class="paramtype">const char *&nbsp;</td>
          <td class="paramname">          </td>
          <td>&nbsp;)&nbsp;</td>
          <td></td>
        </tr>
      </table>
</div>
<div class="memdoc">

<p>
This constructor takes the Schoenflies symbol of a point group as input. 
<p>

</div>
</div><p>
<a class="anchor" name="e7dd340ce8a8cbfab8f8250399e8109a"></a><!-- doxytag: member="sc::CharacterTable::CharacterTable" ref="e7dd340ce8a8cbfab8f8250399e8109a" args="(const char *, const SymmetryOperation &amp;)" -->
<div class="memitem">
<div class="memproto">
      <table class="memname">
        <tr>
          <td class="memname">sc::CharacterTable::CharacterTable           </td>
          <td>(</td>
          <td class="paramtype">const char *&nbsp;</td>
          <td class="paramname">, </td>
        </tr>
        <tr>
          <td class="paramkey"></td>
          <td></td>
          <td class="paramtype">const <a class="el" href="classsc_1_1SymmetryOperation.html">SymmetryOperation</a> &amp;&nbsp;</td>
          <td class="paramname"></td><td>&nbsp;</td>
        </tr>
        <tr>
          <td></td>
          <td>)</td>
          <td></td><td></td><td></td>
        </tr>
      </table>
</div>
<div class="memdoc">

<p>
This is like the above, but it also takes a reference to a <a class="el" href="classsc_1_1SymmetryOperation.html" title="The SymmetryOperation class provides a 3 by 3 matrix representation of a symmetry...">SymmetryOperation</a> which is the frame of reference. 
<p>
All symmetry operations are transformed to this frame of reference. 
</div>
</div><p>
<hr><h2>Member Function Documentation</h2>
<a class="anchor" name="b85d1b39f4e403a6bd254f3861e95098"></a><!-- doxytag: member="sc::CharacterTable::complex" ref="b85d1b39f4e403a6bd254f3861e95098" args="() const " -->
<div class="memitem">
<div class="memproto">
      <table class="memname">
        <tr>
          <td class="memname">int sc::CharacterTable::complex           </td>
          <td>(</td>
          <td class="paramname">          </td>
          <td>&nbsp;)&nbsp;</td>
          <td> const<code> [inline]</code></td>
        </tr>
      </table>
</div>
<div class="memdoc">

<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. 
</div>
</div><p>
<hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="pointgrp_8h_source.html">pointgrp.h</a></ul>
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