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sc::CharacterTable Class Reference The CharacterTable class provides a workable character table for all of the non-cubic point groups. More... #include <pointgrp.h> Collaboration diagram for sc::CharacterTable: [legend]List of all members. Public Types enum   pgroups {   C1, CS, CI, CN,   CNV, CNH, DN, DND,   DNH, SN, T, TH,   TD, O, OH, I,   IH } Public Methods   CharacterTable ()   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. More...   CharacterTable (const CharacterTable &)   ~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. More... 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. The documentation for this class was generated from the following file: pointgrp.h