Psi4
Public Member Functions | Protected Member Functions | Protected Attributes | List of all members
psi::SphericalTransform Class Reference

#include <integral.h>

Inheritance diagram for psi::SphericalTransform:
psi::ISphericalTransform

Public Member Functions

 SphericalTransform (int l, int subl=-1)
 
virtual ~SphericalTransform ()
 
int cartindex (int i) const
 Returns the Cartesian basis function index of component i. More...
 
int pureindex (int i) const
 Returns the spherical harmonic basis index of component i. More...
 
double coef (int i) const
 Returns the transformation coefficient of component i. More...
 
int a (int i) const
 Returns the Cartesian basis function's x exponent of component i. More...
 
int b (int i) const
 Returns the Cartesian basis function's y exponent of component i. More...
 
int c (int i) const
 Returns the Cartesian basis function's z exponent of component i. More...
 
int n () const
 Returns the number of components in the transformation. More...
 
int l () const
 Returns the angular momentum. More...
 

Protected Member Functions

 SphericalTransform ()
 
virtual void init ()
 

Protected Attributes

std::vector
< SphericalTransformComponent
components_
 
int l_
 
int subl_
 

Detailed Description

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

Constructor & Destructor Documentation

SphericalTransform::SphericalTransform ( )
protected
SphericalTransform::SphericalTransform ( int  l,
int  subl = -1 
)
virtual psi::SphericalTransform::~SphericalTransform ( )
inlinevirtual

Member Function Documentation

int psi::SphericalTransform::a ( int  i) const
inline

Returns the Cartesian basis function's x exponent of component i.

int psi::SphericalTransform::b ( int  i) const
inline

Returns the Cartesian basis function's y exponent of component i.

int psi::SphericalTransform::c ( int  i) const
inline

Returns the Cartesian basis function's z exponent of component i.

int psi::SphericalTransform::cartindex ( int  i) const
inline

Returns the Cartesian basis function index of component i.

double psi::SphericalTransform::coef ( int  i) const
inline

Returns the transformation coefficient of component i.

void SphericalTransform::init ( )
protectedvirtual

Reimplemented in psi::ISphericalTransform.

int psi::SphericalTransform::l ( ) const
inline

Returns the angular momentum.

int psi::SphericalTransform::n ( ) const
inline

Returns the number of components in the transformation.

int psi::SphericalTransform::pureindex ( int  i) const
inline

Returns the spherical harmonic basis index of component i.

Member Data Documentation

std::vector<SphericalTransformComponent> psi::SphericalTransform::components_
protected
int psi::SphericalTransform::l_
protected
int psi::SphericalTransform::subl_
protected

The documentation for this class was generated from the following files: