Cantera  2.0
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DenseMatrix Class Reference

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

#include <DenseMatrix.h>

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Public Types

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

Public Member Functions

 DenseMatrix ()
 Default Constructor.
 
 DenseMatrix (size_t n, size_t m, doublereal v=0.0)
 Constructor.
 
 DenseMatrix (const DenseMatrix &y)
 Copy constructor.
 
DenseMatrixoperator= (const DenseMatrix &y)
 Assignment operator.
 
virtual ~DenseMatrix ()
 Destructor. Does nothing.
 
void resize (size_t n, size_t m, doublereal v=0.0)
 Resize the matrix.
 
virtual doublereal *const * colPts ()
 Return a vector of const pointers to the columns.
 
const doublereal *const * const_colPts () const
 Return a const vector of const pointers to the columns.
 
virtual void mult (const double *b, double *prod) const
 Multiply A*b and write result to prod.
 
virtual void leftMult (const double *const b, double *const prod) const
 Left-multiply the matrix by transpose(b), and write the result to prod.
 
vector_intipiv ()
 Return a changeable value of the pivot vector.
 
const vector_intipiv () const
 Return a changeable value of the pivot vector.
 
void copyData (const Array2D &y)
 Copy the data from one array into another without doing any checking.
 
void appendColumn (const vector_fp &c)
 Append a column to the existing matrix using a std vector.
 
void appendColumn (const doublereal *const c)
 Append a column to the existing matrix.
 
void setRow (size_t n, const doublereal *const rw)
 Set the nth row to array rw.
 
void getRow (size_t n, doublereal *const rw)
 Get the nth row and return it in a vector.
 
void setColumn (size_t m, doublereal *const col)
 Set the values in column m to those in array col.
 
void getColumn (size_t m, doublereal *const col)
 Get the values in column m.
 
void axpy (doublereal a, const Array2D &x, const Array2D &y)
 Evaluate z = a*x + y.
 
void zero ()
 Set all of the entries to zero.
 
doublereal & operator() (size_t i, size_t j)
 Allows setting elements using the syntax A(i,j) = x.
 
doublereal operator() (size_t i, size_t j) const
 Allows retrieving elements using the syntax x = A(i,j).
 
doublereal & value (size_t i, size_t j)
 Returns a changeable reference to position in the matrix.
 
doublereal value (size_t i, size_t j) const
 Returns the value of a single matrix entry.
 
size_t nRows () const
 Number of rows.
 
size_t nColumns () const
 Number of columns.
 
iterator begin ()
 Return an iterator pointing to the first element.
 
const_iterator begin () const
 Return a const iterator pointing to the first element.
 
iterator end ()
 Return an iterator pointing past the last element.
 
const_iterator end () const
 Return a const iterator pointing to past the last element.
 
vector_fpdata ()
 Return a reference to the data vector.
 
const vector_fpdata () const
 Return a const reference to the data vector.
 
doublereal * ptrColumn (size_t j)
 Return a pointer to the top of column j, columns are contiguous in memory.
 
const doublereal * ptrColumn (size_t j) const
 Return a const pointer to the top of column j, columns are contiguous in memory.
 

Public Attributes

int m_useReturnErrorCode
 Error Handling Flag.
 
int m_printLevel
 Print Level.
 

Protected Attributes

vector_int m_ipiv
 Vector of pivots. Length is equal to the max of m and n.
 
std::vector< doublereal * > m_colPts
 Vector of column pointers.
 
vector_fp m_data
 Data stored in a single array.
 
size_t m_nrows
 Number of rows.
 
size_t m_ncols
 Number of columns.
 

Friends

int solve (DenseMatrix &A, double *b)
 Solve Ax = b. Array b is overwritten on exit with x.
 
int solve (DenseMatrix &A, DenseMatrix &b)
 Solve Ax = b for multiple right-hand-side vectors.
 
int invert (DenseMatrix &A, int nn)
 

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.

Member Typedef Documentation

typedef vector_fp::iterator iterator
inherited

Type definition for the iterator class that is can be used by Array2D types.

this is just equal to vector_fp iterator.

Definition at line 43 of file Array.h.

typedef vector_fp::const_iterator const_iterator
inherited

Type definition for the const_iterator class that is can be used by Array2D types.

this is just equal to vector_fp const_iterator.

Definition at line 51 of file Array.h.

Constructor & Destructor Documentation

Default Constructor.

Definition at line 18 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
nNew number of rows
mNew number of columns
vDefault fill value. defaults to zero.

Definition at line 30 of file DenseMatrix.cpp.

References DenseMatrix::m_colPts, Array2D::m_data, DenseMatrix::m_ipiv, Array2D::m_nrows, and ckr::max().

DenseMatrix ( const DenseMatrix y)

Copy constructor.

Parameters
yObject to be copied

Definition at line 49 of file DenseMatrix.cpp.

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

~DenseMatrix ( )
virtual

Destructor. Does nothing.

Definition at line 82 of file DenseMatrix.cpp.

Member Function Documentation

DenseMatrix & operator= ( const DenseMatrix y)
void resize ( size_t  n,
size_t  m,
doublereal  v = 0.0 
)
doublereal *const * colPts ( )
virtual

Return a vector of const pointers to the columns.

Note the value of the pointers are protected by their being const. However, the value of the matrix is open to being changed.

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

Reimplemented in SquareMatrix.

Definition at line 98 of file DenseMatrix.cpp.

References DenseMatrix::m_colPts.

Referenced by SquareMatrix::colPts().

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 103 of file DenseMatrix.cpp.

References DenseMatrix::m_colPts.

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

Multiply A*b and write result to prod.

Parameters
binput vector b with length N
prodoutput output vector prod length = M

Reimplemented in SquareMatrix, and L_Matrix.

Definition at line 108 of file DenseMatrix.cpp.

References Array2D::nRows(), and Array2D::ptrColumn().

Referenced by SquareMatrix::mult().

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
bleft multiply by this vector. The length must be equal to n the number of rows in the matrix.
prodResulting vector. This is of length m, the number of columns in the matrix

Reimplemented in SquareMatrix.

Definition at line 116 of file DenseMatrix.cpp.

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

Referenced by ChemEquil::equilibrate(), and 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 130 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 161 of file DenseMatrix.h.

References DenseMatrix::m_ipiv.

void copyData ( const Array2D y)
inlineinherited

Copy the data from one array into another without doing any checking.

This differs from the assignment operator as no resizing is done and memcpy() is used.

Parameters
yArray to be copied

Definition at line 139 of file Array.h.

References DATA_PTR, Array2D::m_data, Array2D::m_ncols, Array2D::m_nrows, and Array2D::ptrColumn().

Referenced by SquareMatrix::copyData().

void appendColumn ( const vector_fp c)
inlineinherited

Append a column to the existing matrix using a std vector.

This operation will add a column onto the existing matrix.

Parameters
cThis vector<doublereal> is the entries in the column to be added. It must have a length equal to m_nrows or greater.

Definition at line 152 of file Array.h.

References Array2D::m_data, Array2D::m_ncols, Array2D::m_nrows, and Array2D::value().

void appendColumn ( const doublereal *const  c)
inlineinherited

Append a column to the existing matrix.

This operation will add a column onto the existing matrix.

Parameters
cThis vector of doubles is the entries in the column to be added. It must have a length equal to m_nrows or greater.

Definition at line 169 of file Array.h.

References Array2D::m_data, Array2D::m_ncols, Array2D::m_nrows, and Array2D::value().

void setRow ( size_t  n,
const doublereal *const  rw 
)
inlineinherited

Set the nth row to array rw.

Parameters
nIndex of the row to be changed
rwVector for the row. Must have a length of m_ncols.

Definition at line 183 of file Array.h.

References Array2D::m_data, Array2D::m_ncols, and Array2D::m_nrows.

void getRow ( size_t  n,
doublereal *const  rw 
)
inlineinherited

Get the nth row and return it in a vector.

Parameters
nIndex of the row to be returned.
rwReturn Vector for the operation. Must have a length of m_ncols.

Definition at line 195 of file Array.h.

References Array2D::m_data, Array2D::m_ncols, and Array2D::m_nrows.

Referenced by StFlow::save().

void setColumn ( size_t  m,
doublereal *const  col 
)
inlineinherited

Set the values in column m to those in array col.

A(i,m) = col(i)

Parameters
mColumn to set
colpointer to a col vector. Vector must have a length of m_nrows.

Definition at line 209 of file Array.h.

References Array2D::m_data, and Array2D::m_nrows.

void getColumn ( size_t  m,
doublereal *const  col 
)
inlineinherited

Get the values in column m.

col(i) = A(i,m)

Parameters
mColumn to set
colpointer to a col vector that will be returned

Definition at line 222 of file Array.h.

References Array2D::m_data, and Array2D::m_nrows.

void axpy ( doublereal  a,
const Array2D x,
const Array2D y 
)
inlineinherited

Evaluate z = a*x + y.

This function evaluates the AXPY operation, and stores the result in the object's Array2D object. It's assumed that all 3 objects have the same dimensions, but no error checking is done.

Parameters
ascalar to multiply x with
xFirst Array2D object to be used
ySecond Array2D object to be used

Definition at line 246 of file Array.h.

References Array2D::begin(), and Array2D::end().

void zero ( )
inlineinherited
doublereal& operator() ( size_t  i,
size_t  j 
)
inlineinherited

Allows setting elements using the syntax A(i,j) = x.

Parameters
irow index
jcolumn index.
Returns
Returns a reference to A(i,j) which may be assigned.

Definition at line 274 of file Array.h.

References Array2D::value().

Referenced by SquareMatrix::operator()().

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

Allows retrieving elements using the syntax x = A(i,j).

Parameters
iIndex for the row to be retrieved
jIndex for the column to be retrieved.
Returns
Returns the value of the matrix entry

Definition at line 286 of file Array.h.

References Array2D::value().

doublereal& value ( size_t  i,
size_t  j 
)
inlineinherited

Returns a changeable reference to position in the matrix.

This is a key entry. Returns a reference to the matrixes (i,j) element. This may be used as an L value.

Parameters
iThe row index
jThe column index
Returns
Returns a changeable reference to the matrix entry

Definition at line 300 of file Array.h.

References Array2D::m_data, and Array2D::m_nrows.

Referenced by Array2D::appendColumn(), SquareMatrix::checkColumns(), SquareMatrix::checkRows(), DenseMatrix::leftMult(), Array2D::operator()(), and DebyeHuckel::s_update_lnMolalityActCoeff().

doublereal value ( size_t  i,
size_t  j 
) const
inlineinherited

Returns the value of a single matrix entry.

This is a key entry. Returns the value of the matrix position (i,j) element.

Parameters
iThe row index
jThe column index

Definition at line 312 of file Array.h.

References Array2D::m_data, and Array2D::m_nrows.

size_t nRows ( ) const
inlineinherited
size_t nColumns ( ) const
inlineinherited
iterator begin ( )
inlineinherited

Return an iterator pointing to the first element.

Definition at line 327 of file Array.h.

References Array2D::m_data.

Referenced by Array2D::axpy(), Cantera::operator*=(), and Cantera::operator+=().

const_iterator begin ( ) const
inlineinherited

Return a const iterator pointing to the first element.

Definition at line 337 of file Array.h.

References Array2D::m_data.

iterator end ( )
inlineinherited

Return an iterator pointing past the last element.

Definition at line 332 of file Array.h.

References Array2D::m_data.

Referenced by Array2D::axpy(), Cantera::operator*=(), and Cantera::operator+=().

const_iterator end ( ) const
inlineinherited

Return a const iterator pointing to past the last element.

Definition at line 342 of file Array.h.

References Array2D::m_data.

vector_fp& data ( )
inlineinherited

Return a reference to the data vector.

Definition at line 347 of file Array.h.

References Array2D::m_data.

const vector_fp& data ( ) const
inlineinherited

Return a const reference to the data vector.

Definition at line 352 of file Array.h.

References Array2D::m_data.

doublereal* ptrColumn ( size_t  j)
inlineinherited
const doublereal* ptrColumn ( size_t  j) const
inlineinherited

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

Parameters
jValue of the column
Returns
Returns a const pointer to the top of the column

Definition at line 374 of file Array.h.

References Array2D::m_data, and Array2D::m_nrows.

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
ADense matrix to be factored
brhs to be solved.

Definition at line 135 of file DenseMatrix.cpp.

int solve ( DenseMatrix A,
DenseMatrix b 
)
friend

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

Parameters
ADense matrix to be factored
bDense matrix of rhs's. Each column is a rhs

Definition at line 181 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 168 of file DenseMatrix.h.

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

std::vector<doublereal*> m_colPts
protected
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 182 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().

int m_printLevel

Print Level.

Printing is done to the log file using the routine writelogf().

Level of printing that is carried out. Only error conditions are printed out, if this value is nonzero.

Definition at line 190 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().

vector_fp m_data
protectedinherited
size_t m_nrows
protectedinherited
size_t m_ncols
protectedinherited

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