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>

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.

Member Function Documentation

E()

void sc::SymRep::E ( )

inline

Set equal to the identity.

References unit().

i()

void sc::SymRep::i ( )

inline

Set equal to an inversion.

References zero().

Referenced by operator()(), operator()(), operator[](), operator[](), set_dim(), and trace().

operator SymmetryOperation()

sc::SymRep::operator SymmetryOperation

(

)

const

Cast to a SymmetryOperation.

References trace().

operator()() [1/2]

double & sc::SymRep::operator() ( int i, int j )

inline

returns a reference to the (i,j)th element of the transformation matrix

References i().

operator()() [2/2]

double sc::SymRep::operator() ( int i, int j ) const

inline

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

References i().

operator[]() [1/2]

double * sc::SymRep::operator[] ( int i )

inline

returns the i'th row of the transformation matrix

References i().

operator[]() [2/2]

const double * sc::SymRep::operator[] ( int i ) const

inline

const version of the above

References i().

print()

void sc::SymRep::print

(

std::ostream &

= ExEnv::out0()

)

const

print the matrix

References sc::ExEnv::out0().

rotation()

void sc::SymRep::rotation

(

int

n

)

Set equal to a clockwise rotation by 2pi/n.

References rotation().

Referenced by rotation().

set_dim()

void sc::SymRep::set_dim ( int i )

inline

set the dimension of d

References i().

trace()

double sc::SymRep::trace ( ) const

inline

returns the trace of the transformation matrix

References i().

Referenced by operator SymmetryOperation().

unit()

void sc::SymRep::unit ( )

inline

Set equal to a unit matrix.

References zero().

Referenced by E().

zero()

void sc::SymRep::zero ( )

inline

zero out the symop

Referenced by i(), and unit().

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The documentation for this class was generated from the following file:

• pointgrp.h