Detailed Description

A PointSymmetry represents a crystallographic point group symmetry.

Crystallographic point group symmetries included 2, 3, and 4 fold rotations about axes, reflections through planes and inversion. Each such symmetry may be represented by a matrix of integers.

Definition at line 22 of file PointSymmetry.h.

#include <PointSymmetry.h>

Public Types
typedef FMatrix< int, Dimension, Dimension >	Matrix
	Typedef for internal matrix. More...

Public Member Functions
	PointSymmetry ()
	Default constructor. More...

	PointSymmetry (const PointSymmetry &other)
	Copy constructor. More...

PointSymmetry &	operator= (const PointSymmetry &other)
	Assignment operator. More...

PointSymmetry	inverse () const
	Return the inverse of this symmetry element. More...

int &	R (int i, int j)
	Return an element of the matrix by reference. More...

int	R (int i, int j) const
	Return an element of the matrix by value. More...

Static Public Member Functions
static const PointSymmetry &	identity ()
	Return the identity element. More...

Friends
bool	operator== (const PointSymmetry &A, const PointSymmetry &B)
	Are two PointSymmetry objects equivalent? More...

bool	operator!= (const PointSymmetry &A, const PointSymmetry &B)
	Are two PointSymmetry objects not equivalent? More...

PointSymmetry	operator* (const PointSymmetry &A, const PointSymmetry &B)
	Return the product A*B of two symmetry objects. More...

IntVector	operator* (const PointSymmetry &S, const IntVector &V)
	Return the IntVector product S*V of a rotation matrix and an IntVector. More...

IntVector	operator* (const IntVector &V, const PointSymmetry &S)
	Return the IntVector product V*S of an IntVector and a rotation matrix. More...

std::ostream &	operator<< (std::ostream &out, const PointSymmetry &A)
	Output stream inserter for a PointSymmetry. More...

Member Typedef Documentation

typedef FMatrix<int, Dimension, Dimension> Util::PointSymmetry::Matrix

Typedef for internal matrix.

Definition at line 28 of file PointSymmetry.h.

Constructor & Destructor Documentation

Util::PointSymmetry::PointSymmetry ( )

Default constructor.

All elements of the rotation matrix are initialized to zero.

Definition at line 21 of file PointSymmetry.cpp.

References Util::Dimension.

Util::PointSymmetry::PointSymmetry ( const PointSymmetry & other )

Copy constructor.

Definition at line 35 of file PointSymmetry.cpp.

References Util::Dimension.

Member Function Documentation

PointSymmetry & Util::PointSymmetry::operator= ( const PointSymmetry & other )

Assignment operator.

Definition at line 80 of file PointSymmetry.cpp.

References Util::Dimension.

PointSymmetry Util::PointSymmetry::inverse ( ) const

Return the inverse of this symmetry element.

Definition at line 65 of file PointSymmetry.cpp.

References Util::Dimension.

int & Util::PointSymmetry::R	(	int	i,
		int	j
	)

inline

Return an element of the matrix by reference.

Definition at line 170 of file PointSymmetry.h.

Referenced by McMd::StructureFactorGrid::readParameters(), McMd::StructureFactorPGrid::readParameters(), DdMd::StructureFactorGrid::readParameters(), McMd::IntraStructureFactorGrid::readParameters(), and McMd::StructureFactorPGrid::save().

int Util::PointSymmetry::R	(	int	i,
		int	j
	)		const

inline

Return an element of the matrix by value.

Definition at line 176 of file PointSymmetry.h.

const PointSymmetry & Util::PointSymmetry::identity ( )

inlinestatic

Return the identity element.

Definition at line 182 of file PointSymmetry.h.

Friends And Related Function Documentation

bool operator==	(	const PointSymmetry &	A,
		const PointSymmetry &	B
	)

friend

Are two PointSymmetry objects equivalent?

Parameters

A	First object
B	Second object

Returns: True if A == B, false otherwise

Definition at line 96 of file PointSymmetry.cpp.

bool operator!=	(	const PointSymmetry &	A,
		const PointSymmetry &	B
	)

friend

Are two PointSymmetry objects not equivalent?

Parameters

A	First object
B	Second object

Returns: True if A != B, false otherwise

Definition at line 164 of file PointSymmetry.h.

PointSymmetry operator*	(	const PointSymmetry &	A,
		const PointSymmetry &	B
	)

friend

Return the product A*B of two symmetry objects.

Parameters

A	First object
B	Second object

Returns: product A*B

Definition at line 112 of file PointSymmetry.cpp.

IntVector operator*	(	const PointSymmetry &	S,
		const IntVector &	V
	)

friend

Return the IntVector product S*V of a rotation matrix and an IntVector.

Parameters

S	PointSymmetry
V	Integer Vector

Returns: product S*V

Definition at line 130 of file PointSymmetry.cpp.

IntVector operator*	(	const IntVector &	V,
		const PointSymmetry &	S
	)

friend

Return the IntVector product V*S of an IntVector and a rotation matrix.

Parameters

S	PointSymmetry
V	Integer Vector

Returns: product S*V

Definition at line 146 of file PointSymmetry.cpp.

std::ostream& operator<<	(	std::ostream &	out,
		const PointSymmetry &	A
	)

friend

Output stream inserter for a PointSymmetry.

Parameters

out	output stream
A	PointSymmetry object to be output

Returns: modified output stream

Definition at line 162 of file PointSymmetry.cpp.

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

Detailed Description

Public Types

Public Member Functions

Static Public Member Functions

Friends

Member Typedef Documentation

Constructor & Destructor Documentation

Member Function Documentation

Friends And Related Function Documentation