NAME

       sc::CharacterTable - The CharacterTable class provides a workable character table for all
       of the non-cubic point groups.

SYNOPSIS

       #include <pointgrp.h>

   Public Types
       enum pgroups { C1, CS, CI, CN, CNV, CNH, DN, DND, DNH, SN, T, TH, TD, O, OH, I, IH }

   Public Member Functions
       CharacterTable (const char *)
           This constructor takes the Schoenflies symbol of a point group as input.
       CharacterTable (const char *, const SymmetryOperation &)
           This is like the above, but it also takes a reference to a SymmetryOperation which is
           the frame of reference.
       CharacterTable (const CharacterTable &)
       CharacterTable & operator= (const CharacterTable &)
       int nirrep () const
           Returns the number of irreps.
       int order () const
           Returns the order of the point group.
       const char * symbol () const
           Returns the Schoenflies symbol for the point group.
       IrreducibleRepresentation & gamma (int i)
           Returns the i'th irrep.
       SymmetryOperation & symm_operation (int i)
           Returns the i'th symmetry operation.
       int complex () const
           Cn, Cnh, Sn, T, and Th point groups have complex representations.
       int inverse (int i) const
           Returns the index of the symop which is the inverse of symop[i].
       int ncomp () const
       int which_irrep (int i)
           Returns the irrep component i belongs to.
       int which_comp (int i)
           Returns which component i is.
       void print (std::ostream &=ExEnv::out0()) const
           This prints the irrep to the given file, or stdout if none is given.

Detailed Description

       The CharacterTable class provides a workable character table for all of the non-cubic
       point groups.

       While I have tried to match the ordering in Cotton's book, I don't guarantee that it is
       always followed. It shouldn't matter anyway. Also note that I don't lump symmetry
       operations of the same class together. For example, in C3v there are two distinct C3
       rotations and 3 distinct reflections, each with a separate character. Thus symop has 6
       elements rather than the 3 you'll find in most published character tables.

Constructor & Destructor Documentation

   sc::CharacterTable::CharacterTable (const char *, const SymmetryOperation &)
       This is like the above, but it also takes a reference to a SymmetryOperation which is the
       frame of reference. All symmetry operations are transformed to this frame of reference.

Member Function Documentation

   int sc::CharacterTable::complex () const [inline]
       Cn, Cnh, Sn, T, and Th point groups have complex representations. This function returns 1
       if the point group has a complex representation, 0 otherwise.

Author

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