DragonFly On-Line Manual Pages

Search: Section:  

sc::CharacterTable(3)                MPQC                sc::CharacterTable(3)


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 *)
       This constructor takes the Schoenflies symbol of a point group as
       input.

   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
       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                   Fri Feb 19 2016          sc::CharacterTable(3)

Search: Section: