Enter your search terms GNU-Darwin Web Submit search form

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> Inheritance diagram for sc::SphericalTransformComponent: [legend]List of all members. Public Methods 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. More... 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: chemistry/qc/basis/transform.h