130 lines
3.5 KiB
C++
130 lines
3.5 KiB
C++
//! @file SquareMatrix.h Dense, Square (not sparse) matrices.
|
|
|
|
// This file is part of Cantera. See License.txt in the top-level directory or
|
|
// at http://www.cantera.org/license.txt for license and copyright information.
|
|
|
|
#ifndef CT_SQUAREMATRIX_H
|
|
#define CT_SQUAREMATRIX_H
|
|
|
|
#include "DenseMatrix.h"
|
|
#include "GeneralMatrix.h"
|
|
|
|
namespace Cantera
|
|
{
|
|
|
|
/**
|
|
* A class for full (non-sparse) matrices with Fortran-compatible data storage.
|
|
* Adds matrix inversion operations to this class from DenseMatrix.
|
|
* @deprecated Use class DenseMatrix instead. To be removed after Cantera 2.3.
|
|
*/
|
|
class SquareMatrix: public DenseMatrix, public GeneralMatrix
|
|
{
|
|
public:
|
|
//! Base Constructor.
|
|
SquareMatrix();
|
|
|
|
//! Constructor.
|
|
/*!
|
|
* Create an \c n by \c n matrix, and initialize all elements to \c v.
|
|
*
|
|
* @param n size of the square matrix
|
|
* @param v initial value of all matrix components.
|
|
*/
|
|
SquareMatrix(size_t n, doublereal v = 0.0);
|
|
|
|
SquareMatrix(const SquareMatrix& right);
|
|
SquareMatrix& operator=(const SquareMatrix& right);
|
|
|
|
int solve(doublereal* b, size_t nrhs=1, size_t ldb=0);
|
|
|
|
void resize(size_t n, size_t m, doublereal v = 0.0);
|
|
|
|
//! Zero the matrix
|
|
void zero();
|
|
|
|
virtual void mult(const doublereal* b, doublereal* prod) const;
|
|
virtual void mult(const DenseMatrix& b, DenseMatrix& prod) const;
|
|
virtual void leftMult(const doublereal* const b, doublereal* const prod) const;
|
|
|
|
int factor();
|
|
virtual int factorQR();
|
|
|
|
virtual doublereal rcondQR();
|
|
virtual doublereal rcond(doublereal a1norm);
|
|
|
|
virtual doublereal oneNorm() const;
|
|
|
|
//! Solves the linear problem Ax=b using the QR algorithm returning x in the
|
|
//! b spot
|
|
/*!
|
|
* @param b RHS to be solved.
|
|
*/
|
|
int solveQR(doublereal* b);
|
|
|
|
//! set the factored flag
|
|
void setFactorFlag();
|
|
|
|
virtual void useFactorAlgorithm(int fAlgorithm);
|
|
|
|
//! Returns the factor algorithm used
|
|
/*!
|
|
* 0 LU decomposition
|
|
* 1 QR decomposition
|
|
*
|
|
* This routine will always return 0
|
|
*/
|
|
virtual int factorAlgorithm() const;
|
|
|
|
virtual doublereal* ptrColumn(size_t j);
|
|
|
|
virtual doublereal& operator()(size_t i, size_t j) {
|
|
return Array2D::operator()(i, j);
|
|
}
|
|
|
|
virtual doublereal operator()(size_t i, size_t j) const {
|
|
return Array2D::operator()(i, j);
|
|
}
|
|
|
|
virtual size_t nRows() const;
|
|
|
|
//! Return the size and structure of the matrix
|
|
/*!
|
|
* This is inherited from GeneralMatrix
|
|
*
|
|
* @param iStruct OUTPUT Pointer to a vector of ints that describe the
|
|
* structure of the matrix. not used
|
|
*
|
|
* @returns the number of rows and columns in the matrix.
|
|
* @deprecated Unused. To be removed after Cantera 2.3.
|
|
*/
|
|
size_t nRowsAndStruct(size_t* const iStruct = 0) const;
|
|
|
|
virtual GeneralMatrix* duplMyselfAsGeneralMatrix() const;
|
|
|
|
virtual vector_fp::iterator begin();
|
|
virtual vector_fp::const_iterator begin() const;
|
|
|
|
virtual doublereal* const* colPts();
|
|
|
|
virtual size_t checkRows(doublereal& valueSmall) const;
|
|
virtual size_t checkColumns(doublereal& valueSmall) const;
|
|
|
|
//! Work vector for QR algorithm
|
|
vector_fp tau;
|
|
|
|
//! Work vector for QR algorithm
|
|
vector_fp work;
|
|
|
|
//! Integer work vector for QR algorithms
|
|
vector_int iwork_;
|
|
protected:
|
|
//! 1-norm of the matrix. This is determined immediately before every
|
|
//! factorization
|
|
doublereal a1norm_;
|
|
|
|
//! Use the QR algorithm to factor and invert the matrix
|
|
int useQR_;
|
|
};
|
|
}
|
|
|
|
#endif
|