sc::SymmetryOperation Class Reference

The SymmetryOperation class provides a 3 by 3 matrix representation of a symmetry operation, such as a rotation or reflection. More...

#include <pointgrp.h>

Public Member Functions
	SymmetryOperation (const SymmetryOperation &)
double	trace () const
	returns the trace of the transformation matrix
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 the above
void	zero ()
	zero out the symop
SymmetryOperation	operate (const SymmetryOperation &r) const
	This operates on this with r (i.e. return r * this).
SymmetryOperation	transform (const SymmetryOperation &r) const
	This performs the transform r * this * r~.
void	unit ()
	Set equal to a unit matrix.
void	E ()
	Set equal to E.
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	transpose ()
void	print (std::ostream &=ExEnv::out0()) const
	print the matrix

Detailed Description

The SymmetryOperation class provides a 3 by 3 matrix representation of a symmetry operation, such as a rotation or reflection.

Member Function Documentation

c2_x()

void sc::SymmetryOperation::c2_x ( )

inline

Set equal to C2 about the x axis.

References i().

c2_y()

void sc::SymmetryOperation::c2_y ( )

inline

Set equal to C2 about the x axis.

References i().

E()

void sc::SymmetryOperation::E ( )

inline

Set equal to E.

References unit().

i()

void sc::SymmetryOperation::i ( )

inline

Set equal to an inversion.

References zero().

Referenced by c2_x(), c2_y(), operator()(), operator()(), operator[](), and operator[]().

operator()() [1/2]

double & sc::SymmetryOperation::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::SymmetryOperation::operator() ( int i, int j ) const

inline

const version of the above

References i().

operator[]() [1/2]

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

inline

returns the i'th row of the transformation matrix

References i().

operator[]() [2/2]

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

inline

const version of the above

References i().

print()

void sc::SymmetryOperation::print

(

std::ostream &

= ExEnv::out0()

)

const

print the matrix

References sc::ExEnv::out0().

rotation()

void sc::SymmetryOperation::rotation

(

int

n

)

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

References rotation().

Referenced by rotation().

sigma_h()

void sc::SymmetryOperation::sigma_h ( )

inline

Set equal to reflection in xy plane.

References unit().

sigma_xz()

void sc::SymmetryOperation::sigma_xz ( )

inline

Set equal to reflection in xz plane.

References unit().

sigma_yz()

void sc::SymmetryOperation::sigma_yz ( )

inline

Set equal to reflection in yz plane.

References unit().

unit()

void sc::SymmetryOperation::unit ( )

inline

Set equal to a unit matrix.

References zero().

Referenced by E(), sigma_h(), sigma_xz(), and sigma_yz().

zero()

void sc::SymmetryOperation::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