A square matrix class. More...

#include "math/SquareMatrix.hpp"

Inheritance diagram for OpenMD::SquareMatrix< Real, Dim >:

Public Types
using	ElemType = Real

using	ElemPoinerType = Real*

Public Types inherited from OpenMD::RectMatrix< Real, Dim, Dim >
using	ElemType

using	ElemPoinerType

Public Member Functions
	SquareMatrix ()
	default constructor

	SquareMatrix (Real s)
	Constructs and initializes every element of this matrix to a scalar.

	SquareMatrix (Real *array)
	Constructs and initializes from an array.

	SquareMatrix (const RectMatrix< Real, Dim, Dim > &m)
	copy constructor

SquareMatrix< Real, Dim > &	operator= (const RectMatrix< Real, Dim, Dim > &m)
	copy assignment operator

SquareMatrix< Real, Dim >	inverse ()
	Returns the inverse of this matrix.

Real	determinant () const
	Returns the determinant of this matrix.

SquareMatrix< Real, Dim - 1 >	cofactor (int p, int q)

Real	trace () const
	Returns the trace of this matrix.

bool	isSymmetric () const
	Tests if this matrix is symmetrix.

bool	isOrthogonal ()
	Tests if this matrix is orthogonal.

bool	isDiagonal () const
	Tests if this matrix is diagonal.

Vector< Real, Dim >	diagonals () const
	Returns a column vector that contains the elements from the diagonal of m in the order R(0) = m(0,0), R(1) = m(1,1), and so on.

bool	isUnitMatrix () const
	Tests if this matrix is the unit matrix.

SquareMatrix< Real, Dim >	transpose () const
	Return the transpose of this matrix.

void	diagonalize ()

Public Member Functions inherited from OpenMD::RectMatrix< Real, Dim, Dim >
	RectMatrix ()
	default constructor

	RectMatrix (Real s)
	Constructs and initializes every element of this matrix to a scalar.

	RectMatrix (Real *array)

	RectMatrix (const RectMatrix< Real, Row, Col > &m)
	copy constructor

	~RectMatrix ()
	destructor

RectMatrix< Real, Row, Col > &	operator= (const RectMatrix< Real, Row, Col > &m)
	copy assignment operator

Real &	operator() (unsigned int i, unsigned int j)
	Return the reference of a single element of this matrix.

Real	operator() (unsigned int i, unsigned int j) const
	Return the value of a single element of this matrix.

void	getArray (Real *array)
	Copy the internal data to an array.

Real *	getArrayPointer ()
	Returns the pointer of internal array.

Vector< Real, Row >	getRow (unsigned int row)
	Returns a row of this matrix as a vector.

void	setRow (unsigned int row, const Vector< Real, Row > &v)
	Sets a row of this matrix.

Vector< Real, Col >	getColumn (unsigned int col)
	Returns a column of this matrix as a vector.

void	setColumn (unsigned int col, const Vector< Real, Col > &v)
	Sets a column of this matrix.

void	swapRow (unsigned int i, unsigned int j)
	swap two rows of this matrix

void	swapColumn (unsigned int i, unsigned int j)
	swap two Columns of this matrix

bool	operator== (const RectMatrix< Real, Row, Col > &m)
	Tests if this matrix is identical to matrix m.

bool	operator!= (const RectMatrix< Real, Row, Col > &m)
	Tests if this matrix is not equal to matrix m.

void	negate ()
	Negates the value of this matrix in place.

void	negate (const RectMatrix< Real, Row, Col > &m)
	Sets the value of this matrix to the negation of matrix m.

void	add (const RectMatrix< Real, Row, Col > &m)
	Sets the value of this matrix to the sum of itself and m (*this += m).

void	add (const RectMatrix< Real, Row, Col > &m1, const RectMatrix< Real, Row, Col > &m2)
	Sets the value of this matrix to the sum of m1 and m2 (*this = m1 + m2).

void	sub (const RectMatrix< Real, Row, Col > &m)
	Sets the value of this matrix to the difference of itself and m (*this -= m).

void	sub (const RectMatrix< Real, Row, Col > &m1, const RectMatrix< Real, Row, Col > &m2)
	Sets the value of this matrix to the difference of matrix m1 and m2 (*this = m1 - m2).

void	mul (Real s)
	Sets the value of this matrix to the scalar multiplication of itself (this = s).

void	mul (Real s, const RectMatrix< Real, Row, Col > &m)
	Sets the value of this matrix to the scalar multiplication of matrix m (this = s m).

void	div (Real s)
	Sets the value of this matrix to the scalar division of itself (*this /= s ).

void	div (Real s, const RectMatrix< Real, Row, Col > &m)
	Sets the value of this matrix to the scalar division of matrix m (*this = m /s).

RectMatrix< Real, Row, Col > &	operator*= (const Real s)
	Multiples a scalar into every element of this matrix.

RectMatrix< Real, Row, Col > &	operator/= (const Real s)
	Divides every element of this matrix by a scalar.

RectMatrix< Real, Row, Col > &	operator+= (const RectMatrix< Real, Row, Col > &m)
	Sets the value of this matrix to the sum of the other matrix and itself (*this += m).

RectMatrix< Real, Row, Col > &	operator-= (const RectMatrix< Real, Row, Col > &m)
	Sets the value of this matrix to the differerence of itself and the other matrix (*this -= m)

RectMatrix< Real, Col, Row >	transpose () const
	Return the transpose of this matrix.

void	setSubMatrix (unsigned int beginRow, unsigned int beginCol, const MatrixType &m)

void	getSubMatrix (unsigned int beginRow, unsigned int beginCol, MatrixType &m)

unsigned int	getNRow () const

unsigned int	getNCol () const

Real	frobeniusNorm ()

Static Public Member Functions
static SquareMatrix< Real, Dim >	identity ()
	Returns an identity matrix.

static int	jacobi (SquareMatrix< Real, Dim > &a, Vector< Real, Dim > &d, SquareMatrix< Real, Dim > &v)
	Jacobi iteration routines for computing eigenvalues/eigenvectors of real symmetric matrix.

Additional Inherited Members
Protected Attributes inherited from OpenMD::RectMatrix< Real, Dim, Dim >
Real	data_ [Row][Col]

Detailed Description

template<typename Real, int Dim>
class OpenMD::SquareMatrix< Real, Dim >

A square matrix class.

Template Parameters

Real	the element type
Dim	the dimension of the square matrix

Definition at line 66 of file SquareMatrix.hpp.

Member Typedef Documentation

◆ ElemPoinerType

template<typename Real , int Dim>

using OpenMD::SquareMatrix< Real, Dim >::ElemPoinerType = Real*

Definition at line 69 of file SquareMatrix.hpp.

◆ ElemType

template<typename Real , int Dim>

using OpenMD::SquareMatrix< Real, Dim >::ElemType = Real

Definition at line 68 of file SquareMatrix.hpp.

Constructor & Destructor Documentation

◆ SquareMatrix() [1/4]

template<typename Real , int Dim>

OpenMD::SquareMatrix< Real, Dim >::SquareMatrix ( )

inline

default constructor

Definition at line 72 of file SquareMatrix.hpp.

◆ SquareMatrix() [2/4]

template<typename Real , int Dim>

OpenMD::SquareMatrix< Real, Dim >::SquareMatrix ( Real s )

inline

Constructs and initializes every element of this matrix to a scalar.

Definition at line 79 of file SquareMatrix.hpp.

◆ SquareMatrix() [3/4]

template<typename Real , int Dim>

OpenMD::SquareMatrix< Real, Dim >::SquareMatrix ( Real * array )

inline

Constructs and initializes from an array.

Definition at line 82 of file SquareMatrix.hpp.

◆ SquareMatrix() [4/4]

template<typename Real , int Dim>

OpenMD::SquareMatrix< Real, Dim >::SquareMatrix ( const RectMatrix< Real, Dim, Dim > & m )

inline

copy constructor

Definition at line 85 of file SquareMatrix.hpp.

Member Function Documentation

◆ cofactor()

template<typename Real , int Dim>

SquareMatrix< Real, Dim - 1 > OpenMD::SquareMatrix< Real, Dim >::cofactor	(	int	p,
		int	q )

inline

Definition at line 145 of file SquareMatrix.hpp.

◆ determinant()

template<typename Real , int Dim>

Real OpenMD::SquareMatrix< Real, Dim >::determinant ( ) const

inline

Returns the determinant of this matrix.

Definition at line 126 of file SquareMatrix.hpp.

◆ diagonalize()

template<typename Real , int Dim>

void OpenMD::SquareMatrix< Real, Dim >::diagonalize ( )

inline

Todo: need implementation

Definition at line 242 of file SquareMatrix.hpp.

◆ diagonals()

template<typename Real , int Dim>

Vector< Real, Dim > OpenMD::SquareMatrix< Real, Dim >::diagonals ( ) const

inline

Returns a column vector that contains the elements from the diagonal of m in the order R(0) = m(0,0), R(1) = m(1,1), and so on.

Definition at line 212 of file SquareMatrix.hpp.

◆ identity()

template<typename Real , int Dim>

static SquareMatrix< Real, Dim > OpenMD::SquareMatrix< Real, Dim >::identity ( )

inlinestatic

Returns an identity matrix.

Definition at line 96 of file SquareMatrix.hpp.

Referenced by OpenMD::Atom::getI().

◆ inverse()

template<typename Real , int Dim>

SquareMatrix< Real, Dim > OpenMD::SquareMatrix< Real, Dim >::inverse ( )

inline

Returns the inverse of this matrix.

Definition at line 112 of file SquareMatrix.hpp.

References OpenMD::invertMatrix().

◆ isDiagonal()

template<typename Real , int Dim>

bool OpenMD::SquareMatrix< Real, Dim >::isDiagonal ( ) const

inline

Tests if this matrix is diagonal.

Definition at line 199 of file SquareMatrix.hpp.

Referenced by OpenMD::SquareMatrix< Real, Dim >::isOrthogonal(), and OpenMD::SquareMatrix< Real, Dim >::isUnitMatrix().

◆ isOrthogonal()

template<typename Real , int Dim>

bool OpenMD::SquareMatrix< Real, Dim >::isOrthogonal ( )

inline

Tests if this matrix is orthogonal.

Definition at line 190 of file SquareMatrix.hpp.

References OpenMD::SquareMatrix< Real, Dim >::isDiagonal(), and OpenMD::SquareMatrix< Real, Dim >::transpose().

◆ isSymmetric()

template<typename Real , int Dim>

bool OpenMD::SquareMatrix< Real, Dim >::isSymmetric ( ) const

inline

Tests if this matrix is symmetrix.

Definition at line 180 of file SquareMatrix.hpp.

◆ isUnitMatrix()

template<typename Real , int Dim>

bool OpenMD::SquareMatrix< Real, Dim >::isUnitMatrix ( ) const

inline

Tests if this matrix is the unit matrix.

Definition at line 221 of file SquareMatrix.hpp.

References OpenMD::SquareMatrix< Real, Dim >::isDiagonal().

◆ jacobi()

template<typename Real , int Dim>

int OpenMD::SquareMatrix< Real, Dim >::jacobi	(	SquareMatrix< Real, Dim > &	a,
		Vector< Real, Dim > &	d,
		SquareMatrix< Real, Dim > &	v )

static

Jacobi iteration routines for computing eigenvalues/eigenvectors of real symmetric matrix.

Returns: true if success, otherwise return false

Parameters

a	symmetric matrix whose eigenvectors are to be computed. On return, the matrix is overwritten
d	will contain the eigenvalues of the matrix On return of this function
v	the columns of this matrix will contain the eigenvectors. The eigenvectors are normalized and mutually orthogonal.

Definition at line 292 of file SquareMatrix.hpp.

◆ operator=()

template<typename Real , int Dim>

SquareMatrix< Real, Dim > & OpenMD::SquareMatrix< Real, Dim >::operator= ( const RectMatrix< Real, Dim, Dim > & m )

inline

copy assignment operator

Definition at line 89 of file SquareMatrix.hpp.

References OpenMD::RectMatrix< Real, Row, Col >::operator=().

Referenced by OpenMD::SquareMatrix3< Real >::operator=().

◆ trace()

template<typename Real , int Dim>

Real OpenMD::SquareMatrix< Real, Dim >::trace ( ) const

inline

Returns the trace of this matrix.

Definition at line 170 of file SquareMatrix.hpp.

◆ transpose()

template<typename Real , int Dim>

SquareMatrix< Real, Dim > OpenMD::SquareMatrix< Real, Dim >::transpose ( ) const

inline

Return the transpose of this matrix.

Definition at line 231 of file SquareMatrix.hpp.

Referenced by OpenMD::SquareMatrix< Real, Dim >::isOrthogonal().

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

math/SquareMatrix.hpp

Public Types

Public Member Functions

Static Public Member Functions

Additional Inherited Members

Detailed Description

Member Typedef Documentation

◆ ElemPoinerType

◆ ElemType

Constructor & Destructor Documentation

◆ SquareMatrix() [1/4]

◆ SquareMatrix() [2/4]

◆ SquareMatrix() [3/4]

◆ SquareMatrix() [4/4]

Member Function Documentation

◆ cofactor()

◆ determinant()

◆ diagonalize()

◆ diagonals()

◆ identity()

◆ inverse()

◆ isDiagonal()

◆ isOrthogonal()

◆ isSymmetric()

◆ isUnitMatrix()

◆ jacobi()

◆ operator=()

◆ trace()

◆ transpose()