A class for full (non-sparse) matrices with Fortran-compatible data storage. More...

#include <SquareMatrix.h>

Inheritance diagram for SquareMatrix:

Collaboration diagram for SquareMatrix:

Public Member Functions
	SquareMatrix ()
	Base Constructor. More...

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

	SquareMatrix (const SquareMatrix &right)
	Copy Constructor. More...

SquareMatrix &	operator= (const SquareMatrix &right)
	Assignment operator. More...

int	solve (doublereal *b, size_t nrhs=1, size_t ldb=0)
	Solves the Ax = b system returning x in the b spot. More...

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

void	zero ()
	Zero the matrix. More...

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

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

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

int	factor ()
	Factors the A matrix, overwriting A. More...

virtual int	factorQR ()
	Factors the A matrix using the QR algorithm, overwriting A. More...

virtual doublereal	rcondQR ()
	Returns an estimate of the inverse of the condition number for the matrix. More...

virtual doublereal	rcond (doublereal a1norm)
	Returns an estimate of the inverse of the condition number for the matrix. More...

virtual doublereal	oneNorm () const
	Calculate the one norm of the matrix. More...

int	solveQR (doublereal *b)
	Solves the linear problem Ax=b using the QR algorithm returning x in the b spot. More...

void	setFactorFlag ()
	set the factored flag More...

virtual void	useFactorAlgorithm (int fAlgorithm)
	Change the way the matrix is factored. More...

virtual int	factorAlgorithm () const
	Returns the factor algorithm used. More...

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

virtual doublereal &	operator() (size_t i, size_t j)
	Index into the (i,j) element. More...

virtual void	copyData (const GeneralMatrix &y)

virtual doublereal	operator() (size_t i, size_t j) const
	Constant Index into the (i,j) element. More...

virtual size_t	nRows () const
	Return the number of rows in the matrix. More...

size_t	nRowsAndStruct (size_t *const iStruct=0) const
	Return the size and structure of the matrix. More...

virtual GeneralMatrix *	duplMyselfAsGeneralMatrix () const
	Duplicator member function. More...

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

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

virtual doublereal const	colPts ()

virtual size_t	checkRows (doublereal &valueSmall) const
	Check to see if we have any zero rows in the Jacobian. More...

virtual size_t	checkColumns (doublereal &valueSmall) const
	Check to see if we have any zero columns in the Jacobian. More...

Public Member Functions inherited from DenseMatrix
	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...

const doublereal const	const_colPts () const
	Return a const vector of const pointers to the columns. 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 Member Functions inherited from GeneralMatrix
	GeneralMatrix (int matType)
	Base Constructor. More...

	GeneralMatrix (const GeneralMatrix &right)
	Copy Constructor. More...

GeneralMatrix &	operator= (const GeneralMatrix &right)
	Assignment operator. More...

virtual	~GeneralMatrix ()
	Destructor. Does nothing. More...

virtual void	clearFactorFlag ()
	clear the factored flag More...

virtual bool	factored () const
	true if the current factorization is up to date with the matrix More...

Public Attributes
vector_fp	tau
	Work vector for QR algorithm. More...

vector_fp	work
	Work vector for QR algorithm. More...

std::vector< int >	iwork_
	Integer work vector for QR algorithms. More...

Public Attributes inherited from DenseMatrix
int	m_useReturnErrorCode
	Error Handling Flag. More...

int	m_printLevel
	Print Level. More...

Public Attributes inherited from GeneralMatrix
int	matrixType_
	Matrix type. More...

Protected Attributes
doublereal	a1norm_
	1-norm of the matrix. This is determined immediately before every factorization More...

int	useQR_
	Use the QR algorithm to factor and invert the matrix. More...

Protected Attributes inherited from DenseMatrix
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...

Protected Attributes inherited from GeneralMatrix
int	m_factored
	Indicates whether the matrix is factored. More...

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.

Adds matrix inversion operations to this class from DenseMatrix.

Definition at line 26 of file SquareMatrix.h.

Constructor & Destructor Documentation

SquareMatrix ( )

Base Constructor.

Definition at line 21 of file SquareMatrix.cpp.

Referenced by SquareMatrix::duplMyselfAsGeneralMatrix().

SquareMatrix	(	size_t	n,
		doublereal	v = `0.0`
	)

Constructor.

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

Parameters

n	size of the square matrix
v	initial value of all matrix components.

Definition at line 28 of file SquareMatrix.cpp.

SquareMatrix ( const SquareMatrix & right )

Copy Constructor.

Definition at line 37 of file SquareMatrix.cpp.

Member Function Documentation

SquareMatrix & operator= ( const SquareMatrix & right )

Assignment operator.

Definition at line 45 of file SquareMatrix.cpp.

References SquareMatrix::a1norm_, GeneralMatrix::operator=(), DenseMatrix::operator=(), and SquareMatrix::useQR_.

int solve	(	doublereal *	b,
		size_t	nrhs = `1`,
		size_t	ldb = `0`
	)

virtual

Solves the Ax = b system returning x in the b spot.

Parameters

b	Vector for the RHS of the equation system
nrhs	Number of right-hand sides to solve, default 1
ldb	Leading dimension of the right-hand side array. Defaults to nRows()

Implements GeneralMatrix.

Definition at line 57 of file SquareMatrix.cpp.

References SquareMatrix::begin(), DATA_PTR, SquareMatrix::factor(), Cantera::int2str(), DenseMatrix::ipiv(), GeneralMatrix::m_factored, DenseMatrix::m_printLevel, DenseMatrix::m_useReturnErrorCode, Array2D::nColumns(), SquareMatrix::nRows(), SquareMatrix::solveQR(), SquareMatrix::useQR_, and Cantera::writelogf().

Referenced by MultiTransport::getMassFluxes(), MultiTransport::getSpeciesFluxes(), solveProb::solve(), and solveSP::solveSurfProb().

void zero ( )

virtual

Zero the matrix.

Implements GeneralMatrix.

Definition at line 92 of file SquareMatrix.cpp.

References Array2D::m_data, and SquareMatrix::nRows().

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 from DenseMatrix.

Definition at line 116 of file SquareMatrix.cpp.

void leftMult	(	const doublereal *const	b,
		doublereal *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 from DenseMatrix.

Definition at line 121 of file SquareMatrix.cpp.

References DenseMatrix::leftMult().

int factor ( )

virtual

Factors the A matrix, overwriting A.

Implements GeneralMatrix.

Definition at line 126 of file SquareMatrix.cpp.

References SquareMatrix::a1norm_, SquareMatrix::begin(), DATA_PTR, SquareMatrix::factorQR(), Cantera::int2str(), DenseMatrix::ipiv(), GeneralMatrix::m_factored, Array2D::m_nrows, DenseMatrix::m_printLevel, DenseMatrix::m_useReturnErrorCode, SquareMatrix::nRows(), SquareMatrix::useQR_, and Cantera::writelogf().

Referenced by MultiTransport::getMassFluxes(), MultiTransport::getSpeciesFluxes(), SquareMatrix::solve(), solveProb::solve(), and solveSP::solveSurfProb().

int factorQR ( )

virtual

Factors the A matrix using the QR algorithm, overwriting A.

we set m_factored to 2 to indicate the matrix is now QR factored

Returns: Returns the info variable from LAPACK

Reimplemented from GeneralMatrix.

Definition at line 152 of file SquareMatrix.cpp.

References SquareMatrix::a1norm_, SquareMatrix::begin(), DATA_PTR, Cantera::int2str(), GeneralMatrix::m_factored, Array2D::m_nrows, DenseMatrix::m_printLevel, DenseMatrix::m_useReturnErrorCode, SquareMatrix::tau, SquareMatrix::work, and Cantera::writelogf().

Referenced by SquareMatrix::factor(), and SquareMatrix::solveQR().

doublereal rcondQR ( )

virtual

Returns an estimate of the inverse of the condition number for the matrix.

The matrix must have been previously factored using the QR algorithm

Returns: returns the inverse of the condition number

Reimplemented from GeneralMatrix.

Definition at line 266 of file SquareMatrix.cpp.

References SquareMatrix::begin(), Cantera::ct_dtrcon(), DATA_PTR, Cantera::int2str(), SquareMatrix::iwork_, GeneralMatrix::m_factored, Array2D::m_nrows, DenseMatrix::m_printLevel, DenseMatrix::m_useReturnErrorCode, SquareMatrix::rcond(), SquareMatrix::work, and Cantera::writelogf().

doublereal rcond ( doublereal a1norm )

virtual

Returns an estimate of the inverse of the condition number for the matrix.

The matrix must have been previously factored using the LU algorithm

Parameters

a1norm Norm of the matrix

Returns: returns the inverse of the condition number

Implements GeneralMatrix.

Definition at line 233 of file SquareMatrix.cpp.

References SquareMatrix::begin(), DATA_PTR, Cantera::int2str(), SquareMatrix::iwork_, GeneralMatrix::m_factored, Array2D::m_nrows, DenseMatrix::m_printLevel, DenseMatrix::m_useReturnErrorCode, SquareMatrix::work, and Cantera::writelogf().

Referenced by SquareMatrix::rcondQR().

doublereal oneNorm ( ) const

virtual

Calculate the one norm of the matrix.

Implements GeneralMatrix.

Definition at line 261 of file SquareMatrix.cpp.

References SquareMatrix::a1norm_.

int solveQR ( doublereal * b )

Solves the linear problem Ax=b using the QR algorithm returning x in the b spot.

Parameters

b	RHS to be solved.

Definition at line 180 of file SquareMatrix.cpp.

References SquareMatrix::begin(), DATA_PTR, SquareMatrix::factorQR(), Cantera::int2str(), GeneralMatrix::m_factored, Array2D::m_nrows, DenseMatrix::m_printLevel, DenseMatrix::m_useReturnErrorCode, SquareMatrix::tau, SquareMatrix::work, and Cantera::writelogf().

Referenced by SquareMatrix::solve().

void setFactorFlag ( )

set the factored flag

Definition at line 147 of file SquareMatrix.cpp.

References GeneralMatrix::m_factored.

void useFactorAlgorithm ( int fAlgorithm )

virtual

Change the way the matrix is factored.

Parameters

fAlgorithm integer 0 LU factorization 1 QR factorization

Reimplemented from GeneralMatrix.

Definition at line 294 of file SquareMatrix.cpp.

References SquareMatrix::useQR_.

int factorAlgorithm ( ) const

virtual

Returns the factor algorithm used.

0 LU decomposition 1 QR decomposition

This routine will always return 0

Implements GeneralMatrix.

Definition at line 299 of file SquareMatrix.cpp.

References SquareMatrix::useQR_.

doublereal * ptrColumn ( size_t j )

virtual

Return a pointer to the top of column j, columns are assumed to be contiguous in memory.

Parameters

j	Value of the column

Returns: Returns a pointer to the top of the column

Implements GeneralMatrix.

Definition at line 304 of file SquareMatrix.cpp.

References Array2D::ptrColumn().

Referenced by solveProb::solveProb().

virtual doublereal& operator()	(	size_t	i,
		size_t	j
	)

inlinevirtual

Index into the (i,j) element.

Parameters

i	row
j	column

Returns a changeable reference to the matrix entry

Implements GeneralMatrix.

Definition at line 88 of file SquareMatrix.h.

References Array2D::operator()().

void copyData ( const GeneralMatrix & y )

virtual

Deprecated:: To be removed after Cantera 2.2.

Implements GeneralMatrix.

Definition at line 309 of file SquareMatrix.cpp.

References Array2D::copyData().

virtual doublereal operator()	(	size_t	i,
		size_t	j
	)		const

inlinevirtual

Constant Index into the (i,j) element.

Parameters

i	row
j	column

Returns an unchangeable reference to the matrix entry

Implements GeneralMatrix.

Definition at line 95 of file SquareMatrix.h.

References Array2D::operator()().

size_t nRows ( ) const

virtual

Return the number of rows in the matrix.

Implements GeneralMatrix.

Definition at line 315 of file SquareMatrix.cpp.

References Array2D::m_nrows.

Referenced by SquareMatrix::factor(), SquareMatrix::solve(), and SquareMatrix::zero().

size_t nRowsAndStruct ( size_t *const iStruct = 0 ) const

virtual

Return the size and structure of the matrix.

This is inherited from GeneralMatrix

Parameters

iStruct OUTPUT Pointer to a vector of ints that describe the structure of the matrix. not used

Returns: returns the number of rows and columns in the matrix.

Implements GeneralMatrix.

Definition at line 320 of file SquareMatrix.cpp.

References Array2D::m_nrows.

GeneralMatrix * duplMyselfAsGeneralMatrix ( ) const

virtual

Duplicator member function.

This function will duplicate the matrix given a generic GeneralMatrix

Returns: Returns a pointer to the malloced object

Implements GeneralMatrix.

Definition at line 325 of file SquareMatrix.cpp.

References SquareMatrix::SquareMatrix().

vector_fp::iterator begin ( )

virtual

Return an iterator pointing to the first element.

We might drop this later

Implements GeneralMatrix.

Definition at line 330 of file SquareMatrix.cpp.

References Array2D::m_data.

Referenced by SquareMatrix::factor(), SquareMatrix::factorQR(), SquareMatrix::rcond(), SquareMatrix::rcondQR(), SquareMatrix::solve(), and SquareMatrix::solveQR().

vector_fp::const_iterator begin ( ) const

virtual

Return a const iterator pointing to the first element.

We might drop this later

Implements GeneralMatrix.

Definition at line 335 of file SquareMatrix.cpp.

References Array2D::m_data.

size_t checkRows ( doublereal & valueSmall ) const

virtual

Check to see if we have any zero rows in the Jacobian.

This utility routine checks to see if any rows are zero. The smallest row is returned along with the largest coefficient in that row

Parameters

valueSmall OUTPUT value of the largest coefficient in the smallest row

Returns: index of the row that is most nearly zero

Implements GeneralMatrix.

Definition at line 345 of file SquareMatrix.cpp.

References Array2D::m_nrows, Cantera::npos, and Array2D::value().

size_t checkColumns ( doublereal & valueSmall ) const

virtual

Check to see if we have any zero columns in the Jacobian.

This utility routine checks to see if any columns are zero. The smallest column is returned along with the largest coefficient in that column

Parameters

valueSmall OUTPUT value of the largest coefficient in the smallest column

Returns: index of the column that is most nearly zero

Implements GeneralMatrix.

Definition at line 362 of file SquareMatrix.cpp.

References Array2D::m_nrows, Cantera::npos, and Array2D::value().

Member Data Documentation

vector_fp tau

Work vector for QR algorithm.

Definition at line 123 of file SquareMatrix.h.

Referenced by SquareMatrix::factorQR(), and SquareMatrix::solveQR().

vector_fp work

Work vector for QR algorithm.

Definition at line 126 of file SquareMatrix.h.

Referenced by SquareMatrix::factorQR(), SquareMatrix::rcond(), SquareMatrix::rcondQR(), and SquareMatrix::solveQR().

std::vector<int> iwork_

Integer work vector for QR algorithms.

Definition at line 129 of file SquareMatrix.h.

Referenced by SquareMatrix::rcond(), and SquareMatrix::rcondQR().

doublereal a1norm_

protected

1-norm of the matrix. This is determined immediately before every factorization

Definition at line 132 of file SquareMatrix.h.

Referenced by SquareMatrix::factor(), SquareMatrix::factorQR(), SquareMatrix::oneNorm(), and SquareMatrix::operator=().

int useQR_

protected

Use the QR algorithm to factor and invert the matrix.

Definition at line 135 of file SquareMatrix.h.

Referenced by SquareMatrix::factor(), SquareMatrix::factorAlgorithm(), SquareMatrix::operator=(), SquareMatrix::solve(), and SquareMatrix::useFactorAlgorithm().

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

Public Member Functions

Public Attributes

Protected Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation