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

#include <cartesianiter.h>

Public Member Functions

 CartesianIter (int l)
 Initialize the iterator for the given angular momentum. More...
 
virtual ~CartesianIter ()
 
virtual void start ()
 Start the iteration. More...
 
virtual void next ()
 Move to the next Cartesian function. More...
 
virtual operator int ()
 Returns nonzero if the iterator currently holds valid data. More...
 
int n () const
 Returns the number of Cartesian functions. More...
 
int a () const
 Returns the x exponent. More...
 
int b () const
 Returns the y exponent. More...
 
int c () const
 Returns the z exponent. More...
 
int l () const
 Return the angular momentum. More...
 
int l (int i) const
 Returns a() if i==0, b() if i==1, and c() if i==2. More...
 
int bfn ()
 

Protected Attributes

int a_
 
int b_
 
int c_
 
int l_
 
int bfn_
 

Detailed Description

CartesianIter gives the ordering of the Cartesian functions that is used in PSI4.

Constructor & Destructor Documentation

CartesianIter::CartesianIter ( int  l)

Initialize the iterator for the given angular momentum.

CartesianIter::~CartesianIter ( )
virtual

Member Function Documentation

int psi::CartesianIter::a ( ) const
inline

Returns the x exponent.

int psi::CartesianIter::b ( ) const
inline

Returns the y exponent.

int psi::CartesianIter::bfn ( )
inline

Returns the number of the current basis function within the shell. This starts at 0 and sequentially increases as next() is called.

int psi::CartesianIter::c ( ) const
inline

Returns the z exponent.

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

Return the angular momentum.

int psi::CartesianIter::l ( int  i) const
inline

Returns a() if i==0, b() if i==1, and c() if i==2.

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

Returns the number of Cartesian functions.

void CartesianIter::next ( )
virtual

Move to the next Cartesian function.

CartesianIter::operator int ( )
virtual

Returns nonzero if the iterator currently holds valid data.

void CartesianIter::start ( )
virtual

Start the iteration.

Member Data Documentation

int psi::CartesianIter::a_
protected
int psi::CartesianIter::b_
protected
int psi::CartesianIter::bfn_
protected
int psi::CartesianIter::c_
protected
int psi::CartesianIter::l_
protected

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