NAME

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

SYNOPSIS

#include <pointgrp.h>

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.

Author

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