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sc::SphericalTransform Class Reference This is a base class for a container for a sparse Cartesian to solid harmonic basis function transformation. More... #include <transform.h> Inheritance diagram for sc::SphericalTransform: [legend]Collaboration diagram for sc::SphericalTransform: [legend]List of all members. Public Methods virtual  ~SphericalTransform () void  add (int a, int b, int c, double coef, int pureindex)   Adds another SphericalTransformComponent. int  cartindex (int i) const   Returns the Cartesian basis function index of component i. int  pureindex (int i) const   Returns the solid harmonic basis function index of component i. double  coef (int i) const   Returns the transform coefficient of component i. int  a (int i) const   Returns the Cartesian basis function's x exponent of component i. int  b (int i) const   Returns the Cartesian basis function's y exponent of component i. int  c (int i) const   Returns the Cartesian basis function's z exponent of component i. int  l () const   Returns the angular momentum. int  n () const   Returns the number of components in the transformation. virtual SphericalTransformComponent *  new_components ()=0   This must create SphericalTransformComponent's of the appropriate specialization. Protected Methods   SphericalTransform ()   SphericalTransform (int l, int subl=-1)   This constructs the SphericalTransform for the given Cartesian angular momentum l and solid harmonic angular momentum subl. More... virtual void  init ()   This determines all of the components of the transformation. More... Protected Attributes int  n_ int  l_ int  subl_ SphericalTransformComponent *  components_ Detailed Description This is a base class for a container for a sparse Cartesian to solid harmonic basis function transformation. Constructor & Destructor Documentation sc::SphericalTransform::SphericalTransform (  int    l, int    subl = -1 )  [protected]   This constructs the SphericalTransform for the given Cartesian angular momentum l and solid harmonic angular momentum subl. Usually, l and subl will be the same. They would differ when the S component of a D Cartesian shell or the P component of an F Cartesian shell is desired, for example (see the natural atomic orbital code for an example of such use). The init member must be called to complete initialization. Member Function Documentation virtual void sc::SphericalTransform::init (    )  [protected, virtual]   This determines all of the components of the transformation. It should be possible to implement the SphericalTransformComponent::init specialization in such a way that the default SphericalTransform::init can be used. Reimplemented in sc::ISphericalTransform. The documentation for this class was generated from the following file: chemistry/qc/basis/transform.h