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

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.

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

Public Member Functions