SquareMatrix.h

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//! @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