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<hr><h1>sc::SphericalTransform Class Reference</h1>This is a base class for a container for a sparse Cartesian to solid harmonic basis function transformation.
<a href="#_details">More...</a>
<p>
<code>#include <<a class="el" href="chemistry_qc_basis_transform_h-source.html">transform.h</a>></code>
<p>
Inheritance diagram for sc::SphericalTransform<p><center><img src="class_sc__SphericalTransform_inherit_graph.gif" border="0" usemap="#sc::SphericalTransform_inherit_map" alt="Inheritance graph"></center>
<map name="sc::SphericalTransform_inherit_map">
<area href="class_sc__ISphericalTransform.html" shape="rect" coords="22,80,163,99">
</map>
<center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center>Collaboration diagram for sc::SphericalTransform:<p><center><img src="class_sc__SphericalTransform_coll_graph.gif" border="0" usemap="#sc::SphericalTransform_coll_map" alt="Collaboration graph"></center>
<map name="sc::SphericalTransform_coll_map">
<area href="class_sc__SphericalTransformComponent.html" shape="rect" coords="14,14,214,33">
</map>
<center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center><a href="class_sc__SphericalTransform-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::SphericalTransform::~SphericalTransform"></a>
virtual </td><td valign=bottom><b>~SphericalTransform</b> ()</td></tr>
<tr><td nowrap align=right valign=top><a name="a1" doxytag="sc::SphericalTransform::add"></a>
void </td><td valign=bottom><a class="el" href="class_sc__SphericalTransform.html#a1">add</a> (int a, int b, int c, double coef, int pureindex)</td></tr>
<tr><td> </td><td><font size=-1><em>Adds another <a class="el" href="class_sc__SphericalTransformComponent.html">SphericalTransformComponent</a>.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a2" doxytag="sc::SphericalTransform::cartindex"></a>
int </td><td valign=bottom><a class="el" href="class_sc__SphericalTransform.html#a2">cartindex</a> (int i) const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the Cartesian basis function index of component i.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a3" doxytag="sc::SphericalTransform::pureindex"></a>
int </td><td valign=bottom><a class="el" href="class_sc__SphericalTransform.html#a3">pureindex</a> (int i) const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the solid harmonic basis function index of component i.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a4" doxytag="sc::SphericalTransform::coef"></a>
double </td><td valign=bottom><a class="el" href="class_sc__SphericalTransform.html#a4">coef</a> (int i) const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the transform coefficient of component i.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a5" doxytag="sc::SphericalTransform::a"></a>
int </td><td valign=bottom><a class="el" href="class_sc__SphericalTransform.html#a5">a</a> (int i) const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the Cartesian basis function's x exponent of component i.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a6" doxytag="sc::SphericalTransform::b"></a>
int </td><td valign=bottom><a class="el" href="class_sc__SphericalTransform.html#a6">b</a> (int i) const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the Cartesian basis function's y exponent of component i.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a7" doxytag="sc::SphericalTransform::c"></a>
int </td><td valign=bottom><a class="el" href="class_sc__SphericalTransform.html#a7">c</a> (int i) const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the Cartesian basis function's z exponent of component i.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a8" doxytag="sc::SphericalTransform::l"></a>
int </td><td valign=bottom><a class="el" href="class_sc__SphericalTransform.html#a8">l</a> () const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the angular momentum.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a9" doxytag="sc::SphericalTransform::n"></a>
int </td><td valign=bottom><a class="el" href="class_sc__SphericalTransform.html#a9">n</a> () const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the number of components in the transformation.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a10" doxytag="sc::SphericalTransform::new_components"></a>
virtual <a class="el" href="class_sc__SphericalTransformComponent.html">SphericalTransformComponent</a>* </td><td valign=bottom><a class="el" href="class_sc__SphericalTransform.html#a10">new_components</a> ()=0</td></tr>
<tr><td> </td><td><font size=-1><em>This must create <a class="el" href="class_sc__SphericalTransformComponent.html">SphericalTransformComponent</a>'s of the appropriate specialization.</em></font><br><br></td></tr>
<tr><td colspan=2><br><h2>Protected Methods</h2></td></tr>
<tr><td nowrap align=right valign=top><a name="b0" doxytag="sc::SphericalTransform::SphericalTransform"></a>
</td><td valign=bottom><b>SphericalTransform</b> ()</td></tr>
<tr><td nowrap align=right valign=top> </td><td valign=bottom><a class="el" href="class_sc__SphericalTransform.html#b1">SphericalTransform</a> (int l, int subl=-1)</td></tr>
<tr><td> </td><td><font size=-1><em>This constructs the <a class="el" href="class_sc__SphericalTransform.html">SphericalTransform</a> for the given Cartesian angular momentum l and solid harmonic angular momentum subl.</em> <a href="#b1">More...</a><em></em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top>virtual void </td><td valign=bottom><a class="el" href="class_sc__SphericalTransform.html#b2">init</a> ()</td></tr>
<tr><td> </td><td><font size=-1><em>This determines all of the components of the transformation.</em> <a href="#b2">More...</a><em></em></font><br><br></td></tr>
<tr><td colspan=2><br><h2>Protected Attributes</h2></td></tr>
<tr><td nowrap align=right valign=top><a name="n0" doxytag="sc::SphericalTransform::n_"></a>
int </td><td valign=bottom><b>n_</b></td></tr>
<tr><td nowrap align=right valign=top><a name="n1" doxytag="sc::SphericalTransform::l_"></a>
int </td><td valign=bottom><b>l_</b></td></tr>
<tr><td nowrap align=right valign=top><a name="n2" doxytag="sc::SphericalTransform::subl_"></a>
int </td><td valign=bottom><b>subl_</b></td></tr>
<tr><td nowrap align=right valign=top><a name="n3" doxytag="sc::SphericalTransform::components_"></a>
<a class="el" href="class_sc__SphericalTransformComponent.html">SphericalTransformComponent</a>* </td><td valign=bottom><b>components_</b></td></tr>
</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
This is a base class for a container for a sparse Cartesian to solid harmonic basis function transformation.
<p>
<hr><h2>Constructor & Destructor Documentation</h2>
<a name="b1" doxytag="sc::SphericalTransform::SphericalTransform"></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::SphericalTransform::SphericalTransform (
</b></td>
<td valign="bottom"><b>
int <em>l</em>,
</b></td>
</tr>
<tr>
<td></td>
<td><b>
int <em>subl</em> = -1 )<code> [protected]</code>
</b></td>
</tr>
</table>
</td>
</tr>
</table>
<table cellspacing=5 cellpadding=0 border=0>
<tr>
<td>
</td>
<td>
<p>
This constructs the <a class="el" href="class_sc__SphericalTransform.html">SphericalTransform</a> for the given Cartesian angular momentum l and solid harmonic angular momentum subl.
<p>
Usually, l and subl will be the same. They would differ when the S component of a D Cartesian shell or the P component of an F Cartesian shell is desired, for example (see the natural atomic orbital code for an example of such use). The init member must be called to complete initialization. </td>
</tr>
</table>
<hr><h2>Member Function Documentation</h2>
<a name="b2" doxytag="sc::SphericalTransform::init"></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>
void sc::SphericalTransform::init (
</b></td>
<td valign="bottom"><b>
)<code> [protected, virtual]</code>
</b></td>
</tr>
</table>
</td>
</tr>
</table>
<table cellspacing=5 cellpadding=0 border=0>
<tr>
<td>
</td>
<td>
<p>
This determines all of the components of the transformation.
<p>
It should be possible to implement the <a class="el" href="class_sc__SphericalTransformComponent.html#a6">SphericalTransformComponent::init</a> specialization in such a way that the default <a class="el" href="class_sc__SphericalTransform.html#b2">SphericalTransform::init</a> can be used.
<p>
Reimplemented in <a class="el" href="class_sc__ISphericalTransform.html#b2">sc::ISphericalTransform</a>. </td>
</tr>
</table>
<hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="chemistry_qc_basis_transform_h-source.html">chemistry/qc/basis/transform.h</a></ul>
<hr>
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