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sc::SymRep Class Reference

The SymRep class provides an n dimensional matrix representation of a symmetry operation, such as a rotation or reflection. More...

#include <pointgrp.h>

List of all members.

Public Member Functions

 SymRep (int=0)
 SymRep (const SymmetryOperation &)
 operator SymmetryOperation () const
 Cast to a SymmetryOperation.

double trace () const
 returns the trace of the transformation matrix

void set_dim (int i)
 set the dimension of d

double * operator[] (int i)
 returns the i'th row of the transformation matrix

const double * operator[] (int i) const
 const version of the above

double & operator() (int i, int j)
 returns a reference to the (i,j)th element of the transformation matrix

double operator() (int i, int j) const
 const version of double& operator()(int i, int j)

void zero ()
 zero out the symop

SymRep operate (const SymRep &r) const
 This operates on this with r (i.e. return r * this).

SymRep transform (const SymRep &r) const
 This performs the transform r * this * r~.

void unit ()
 Set equal to a unit matrix.

void E ()
 Set equal to the identity.

void i ()
 Set equal to an inversion.

void sigma_h ()
 Set equal to reflection in xy plane.

void sigma_xz ()
 Set equal to reflection in xz plane.

void sigma_yz ()
 Set equal to reflection in yz plane.

void rotation (int n)
 Set equal to a clockwise rotation by 2pi/n.

void rotation (double theta)
void c2_x ()
 Set equal to C2 about the x axis.

void c2_y ()
 Set equal to C2 about the x axis.

void print (std::ostream &=ExEnv::out0()) const
 print the matrix


Detailed Description

The SymRep class provides an n dimensional matrix representation of a symmetry operation, such as a rotation or reflection.

The trace of a SymRep can be used as the character for that symmetry operation. d is hardwired to 5x5 since the H irrep in Ih is 5 dimensional.


The documentation for this class was generated from the following file:
Generated at Tue Jan 6 14:24:23 2004 for MPQC 2.2.1 using the documentation package Doxygen 1.3.4.