sc::SphericalTransformComponent Class Reference

This is a base class for a container for a component of a sparse Cartesian to solid harmonic basis function transformation. More...

#include <transform.h>

List of all members.

Public Member Functions

int a () const
 Returns the exponent of x.
int b () const
 Returns the exponent of y.
int c () const
 Returns the exponent of z.
int cartindex () const
 Returns the index of the Cartesian basis function.
int pureindex () const
 Returns the index solid harmonic basis function.
double coef () const
 Returns the coefficient of this component of the transformation.
virtual void init (int a, int b, int c, double coef, int pureindex)=0
 Initialize this object.

Protected Attributes

double coef_
int a_
int b_
int c_
int cartindex_
int pureindex_


Detailed Description

This is a base class for a container for a component of a sparse Cartesian to solid harmonic basis function transformation.


Member Function Documentation

virtual void sc::SphericalTransformComponent::init ( int  a,
int  b,
int  c,
double  coef,
int  pureindex 
) [pure virtual]

Initialize this object.

This must be provided in all specializations of this class to establish the ordering between a, b and c and the index of the Cartesian basis function. Other things such as adjustment of the coefficient to account for normalization differences can be done as well. The default SphericalTransform::init() implementation requires that only the xl, yl and zl basis functions are normalized to unity.


The documentation for this class was generated from the following file:
Generated at Mon Dec 3 23:23:49 2007 for MPQC 2.3.1 using the documentation package Doxygen 1.5.2.