A class for full (non-sparse) matrices with Fortran-compatible data storage, which adds matrix operations to class Array2D. More...

#include <DenseMatrix.h>

Inheritance diagram for DenseMatrix:

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Collaboration diagram for DenseMatrix:

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Public Member Functions
	DenseMatrix ()
	Default Constructor. More...

	DenseMatrix (size_t n, size_t m, doublereal v=0.0)
	Constructor. More...

	DenseMatrix (const DenseMatrix &y)
	Copy constructor. More...

DenseMatrix &	operator= (const DenseMatrix &y)
	Assignment operator. More...

void	resize (size_t n, size_t m, doublereal v=0.0)
	Resize the matrix. More...

virtual doublereal const	colPts ()

const doublereal const	const_colPts () const
	Return a const vector of const pointers to the columns. More...

virtual void	mult (const double b, double prod) const

virtual void	mult (const DenseMatrix &b, DenseMatrix &prod) const
	Multiply A*B and write result to `prod`. More...

virtual void	leftMult (const double const b, double const prod) const
	Left-multiply the matrix by transpose(b), and write the result to prod. More...

vector_int &	ipiv ()
	Return a changeable value of the pivot vector. More...

const vector_int &	ipiv () const
	Return a changeable value of the pivot vector. More...

Public Member Functions inherited from Array2D
	Array2D ()
	Default constructor. More...

	Array2D (const size_t m, const size_t n, const doublereal v=0.0)
	Constructor. More...

	Array2D (const size_t m, const size_t n, const doublereal *values)
	Constructor. More...

	Array2D (const Array2D &y)
	Copy constructor. More...

Array2D &	operator= (const Array2D &y)
	assignment operator More...

void	resize (size_t n, size_t m, doublereal v=0.0)
	Resize the array, and fill the new entries with 'v'. More...

void	copyData (const Array2D &y)
	Copy the data from one array into another without doing any checking. More...

void	appendColumn (const vector_fp &c)
	Append a column to the existing matrix using a std vector. More...

void	appendColumn (const doublereal *const c)
	Append a column to the existing matrix. More...

void	setRow (size_t n, const doublereal *const rw)
	Set the nth row to array rw. More...

void	getRow (size_t n, doublereal *const rw)
	Get the nth row and return it in a vector. More...

void	setColumn (size_t m, doublereal *const col)
	Set the values in column m to those in array col. More...

void	getColumn (size_t m, doublereal *const col)
	Get the values in column m. More...

virtual	~Array2D ()
	Destructor. More...

void	axpy (doublereal a, const Array2D &x, const Array2D &y)
	Evaluate z = a*x + y. More...

void	zero ()
	Set all of the entries to zero. More...

doublereal &	operator() (size_t i, size_t j)
	Allows setting elements using the syntax A(i,j) = x. More...

doublereal	operator() (size_t i, size_t j) const
	Allows retrieving elements using the syntax x = A(i,j). More...

doublereal &	value (size_t i, size_t j)
	Returns a changeable reference to position in the matrix. More...

doublereal	value (size_t i, size_t j) const
	Returns the value of a single matrix entry. More...

size_t	nRows () const
	Number of rows. More...

size_t	nColumns () const
	Number of columns. More...

iterator	begin ()
	Return an iterator pointing to the first element. More...

iterator	end ()
	Return an iterator pointing past the last element. More...

const_iterator	begin () const
	Return a const iterator pointing to the first element. More...

const_iterator	end () const
	Return a const iterator pointing to past the last element. More...

vector_fp &	data ()
	Return a reference to the data vector. More...

const vector_fp &	data () const
	Return a const reference to the data vector. More...

doublereal *	ptrColumn (size_t j)
	Return a pointer to the top of column j, columns are contiguous in memory. More...

const doublereal *	ptrColumn (size_t j) const
	Return a const pointer to the top of column j, columns are contiguous in memory. More...

Public Attributes
int	m_useReturnErrorCode
	Error Handling Flag. More...

int	m_printLevel
	Print Level. More...

Protected Attributes
vector_int	m_ipiv
	Vector of pivots. Length is equal to the max of m and n. More...

std::vector< doublereal * >	m_colPts
	Vector of column pointers. More...

Protected Attributes inherited from Array2D
vector_fp	m_data
	Data stored in a single array. More...

size_t	m_nrows
	Number of rows. More...

size_t	m_ncols
	Number of columns. More...

Friends
int	solve (DenseMatrix &A, double *b)
	Solve Ax = b. Array b is overwritten on exit with x. More...

int	solve (DenseMatrix &A, DenseMatrix &b)
	Solve Ax = b for multiple right-hand-side vectors. More...

int	invert (DenseMatrix &A, int nn)

Additional Inherited Members
Public Types inherited from Array2D
typedef vector_fp::iterator	iterator
	Type definition for the iterator class that is can be used by Array2D types. More...

typedef vector_fp::const_iterator	const_iterator
	Type definition for the const_iterator class that is can be used by Array2D types. More...

Detailed Description

A class for full (non-sparse) matrices with Fortran-compatible data storage, which adds matrix operations to class Array2D.

The dense matrix class adds matrix operations onto the Array2D class. These matrix operations are carried out by the appropriate BLAS and LAPACK routines

Error handling from BLAS and LAPACK are handled via the following formulation. Depending on a variable, a singular matrix or other terminal error condition from LAPACK is handled by either throwing an exception of type, CELapackError, or by returning the error code condition to the calling routine.

The int variable, m_useReturnErrorCode, determines which method is used. The default value of zero means that an exception is thrown. A value of 1 means that a return code is used.

Reporting of these LAPACK error conditions is handled by the class variable m_printLevel. The default is for no reporting. If m_printLevel is nonzero, the error condition is reported to Cantera's log file.

Definition at line 70 of file DenseMatrix.h.

Constructor & Destructor Documentation

DenseMatrix ( )

Default Constructor.

Definition at line 17 of file DenseMatrix.cpp.

DenseMatrix	(	size_t	n,
		size_t	m,
		doublereal	v = `0.0`
	)

Constructor.

Create an n by m matrix, and initialize all elements to v.

Parameters

n	New number of rows
m	New number of columns
v	Default fill value. defaults to zero.

Definition at line 25 of file DenseMatrix.cpp.

References DenseMatrix::m_colPts, Array2D::m_data, DenseMatrix::m_ipiv, and Array2D::m_nrows.

DenseMatrix ( const DenseMatrix & y )

Copy constructor.

Parameters

y	Object to be copied

Definition at line 40 of file DenseMatrix.cpp.

References DenseMatrix::ipiv(), DenseMatrix::m_colPts, Array2D::m_data, DenseMatrix::m_ipiv, Array2D::m_ncols, and Array2D::m_nrows.

Member Function Documentation

DenseMatrix & operator= ( const DenseMatrix & y )

Assignment operator.

Parameters

y	Object to be copied

Definition at line 55 of file DenseMatrix.cpp.

References DenseMatrix::ipiv(), DenseMatrix::m_colPts, Array2D::m_data, DenseMatrix::m_ipiv, Array2D::m_ncols, Array2D::m_nrows, DenseMatrix::m_printLevel, DenseMatrix::m_useReturnErrorCode, and Array2D::operator=().

Referenced by SquareMatrix::operator=().

void resize	(	size_t	n,
		size_t	m,
		doublereal	v = `0.0`
	)

Resize the matrix.

Resize the matrix to n rows by m cols.

Parameters

n	New number of rows
m	New number of columns
v	Default fill value. defaults to zero.

Definition at line 71 of file DenseMatrix.cpp.

References DenseMatrix::m_colPts, Array2D::m_data, DenseMatrix::m_ipiv, Array2D::m_ncols, Array2D::m_nrows, and Array2D::resize().

Referenced by LTI_Pairwise_Interaction::getMatrixTransProp(), LTI_StefanMaxwell_PPN::getMatrixTransProp(), LiquidTranInteraction::init(), MultiPhase::init(), GasTransport::initGas(), MultiTransport::initGas(), PecosTransport::initGas(), DustyGasTransport::initialize(), LiquidTransport::initLiquid(), AqueousTransport::initLiquid(), MultiPhaseEquil::MultiPhaseEquil(), LTI_StefanMaxwell_PPN::setParameters(), TransportFactory::setupLiquidTransport(), TransportFactory::setupMM(), and LiquidTransport::stefan_maxwell_solve().

const doublereal *const * const_colPts ( ) const

Return a const vector of const pointers to the columns.

Note, the jacobian can not be altered by this routine, and therefore the member function is const.

Returns: returns a vector of pointers to the top of the columns of the matrices.

Definition at line 88 of file DenseMatrix.cpp.

References DenseMatrix::m_colPts.

Referenced by DenseMatrix::mult().

void mult	(	const DenseMatrix &	b,
		DenseMatrix &	prod
	)		const

virtual

Multiply A*B and write result to prod.

Parameters

b	input DenseMatrix B of size NxN
prod	output output DenseMatrix prod size NxN

Reimplemented in SquareMatrix.

Definition at line 101 of file DenseMatrix.cpp.

References DenseMatrix::const_colPts(), Array2D::m_ncols, Array2D::m_nrows, Array2D::nColumns(), and Array2D::nRows().

void leftMult	(	const double *const	b,
		double *const	prod
	)		const

virtual

Left-multiply the matrix by transpose(b), and write the result to prod.

Parameters

b	left multiply by this vector. The length must be equal to n the number of rows in the matrix.
prod	Resulting vector. This is of length m, the number of columns in the matrix

Reimplemented in SquareMatrix.

Definition at line 115 of file DenseMatrix.cpp.

References Array2D::nColumns(), Array2D::nRows(), and Array2D::value().

Referenced by SquareMatrix::leftMult().

vector_int & ipiv ( )

Return a changeable value of the pivot vector.

Returns: Returns a reference to the pivot vector as a vector_int

Definition at line 129 of file DenseMatrix.cpp.

References DenseMatrix::m_ipiv.

Referenced by DenseMatrix::DenseMatrix(), SquareMatrix::factor(), MultiTransport::getMassFluxes(), MultiTransport::getSpeciesFluxes(), Cantera::invert(), DenseMatrix::operator=(), SquareMatrix::solve(), and Cantera::solve().

const vector_int& ipiv ( ) const

inline

Return a changeable value of the pivot vector.

Returns: Returns a reference to the pivot vector as a vector_int

Definition at line 148 of file DenseMatrix.h.

References DenseMatrix::m_ipiv.

Friends And Related Function Documentation

int solve	(	DenseMatrix &	A,
		double *	b
	)

friend

Solve Ax = b. Array b is overwritten on exit with x.

The solve class uses the LAPACK routine dgetrf to invert the m xy n matrix.

The factorization has the form A = P * L * U where P is a permutation matrix, L is lower triangular with unit diagonal elements (lower trapezoidal if m > n), and U is upper triangular (upper trapezoidal if m < n).

The system is then solved using the LAPACK routine dgetrs

Parameters

A	Dense matrix to be factored
b	rhs to be solved.

Definition at line 134 of file DenseMatrix.cpp.

int solve	(	DenseMatrix &	A,
		DenseMatrix &	b
	)

friend

Solve Ax = b for multiple right-hand-side vectors.

Parameters

A	Dense matrix to be factored
b	Dense matrix of rhs's. Each column is a rhs

Definition at line 180 of file DenseMatrix.cpp.

Member Data Documentation

vector_int m_ipiv

protected

Vector of pivots. Length is equal to the max of m and n.

Definition at line 154 of file DenseMatrix.h.

Referenced by DenseMatrix::DenseMatrix(), DenseMatrix::ipiv(), DenseMatrix::operator=(), and DenseMatrix::resize().

std::vector<doublereal*> m_colPts

protected

Vector of column pointers.

Definition at line 157 of file DenseMatrix.h.

Referenced by DenseMatrix::const_colPts(), DenseMatrix::DenseMatrix(), DenseMatrix::operator=(), and DenseMatrix::resize().

int m_useReturnErrorCode

Error Handling Flag.

The default is to set this to 0. In this case, if a factorization is requested and can't be achieved, a CESingularMatrix exception is triggered. No return code is used, because an exception is thrown. If this is set to 1, then an exception is not thrown. Routines return with an error code, that is up to the calling routine to handle correctly. Negative return codes always throw an exception.

Definition at line 167 of file DenseMatrix.h.

Referenced by SquareMatrix::factor(), SquareMatrix::factorQR(), Cantera::invert(), DenseMatrix::operator=(), SquareMatrix::rcond(), SquareMatrix::rcondQR(), SquareMatrix::solve(), Cantera::solve(), and SquareMatrix::solveQR().