MPQC  3.0.0-alpha
Public Member Functions
sc::RedundantCartesianSubIter Class Reference

Like RedundantCartesianIter, except a, b, and c are fixed to a given value. More...

#include <chemistry/qc/basis/cartiter.h>

Inheritance diagram for sc::RedundantCartesianSubIter:
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List of all members.

Public Member Functions

 RedundantCartesianSubIter (int l)
 Create a object for the given angular momentum.
virtual int bfn () const =0
 Return the current Cartesian basis function number.
virtual void start (int a, int b, int c)
 Initialize the iterator.
void next ()
 Move to the next combination of axes.
 operator int () const
 Returns nonzero if the iterator currently hold valid data.
int a () const
 The current exponent of x.
int b () const
 The current exponent of y.
int c () const
 The current exponent of z.
int l () const
 The angular momentum.
int l (int i)
 Returns a() if i==0, b() if i==1, and c() if i==2.
int axis (int i)
 Return the i'th axis.

Detailed Description

Like RedundantCartesianIter, except a, b, and c are fixed to a given value.


Member Function Documentation

virtual int sc::RedundantCartesianSubIter::bfn ( ) const [pure virtual]

Return the current Cartesian basis function number.

Since Cartesian basis function index is constant on the iteration range of this object, this is a const function.

See also:
RedundantCartesianIter for more information

Implemented in sc::RedundantCartesianSubIterCCA, sc::RedundantCartesianSubIterGAMESS, and sc::RedundantCartesianSubIterV3.

virtual void sc::RedundantCartesianSubIter::start ( int  a,
int  b,
int  c 
) [virtual]

Initialize the iterator.

The constraints on a, b, and c are given as arguments.

Reimplemented in sc::RedundantCartesianSubIterGAMESS, sc::RedundantCartesianSubIterCCA, and sc::RedundantCartesianSubIterV3.


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

Generated at Sat Jul 7 2012 11:52:50 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.8.0.