cantera/include/cantera/numerics/GeneralMatrix.h

/**
 *  @file GeneralMatrix.h
 *   Declarations for the class GeneralMatrix which is a virtual base class for matrices handled by solvers
 *    (see class \ref numerics and \link Cantera::GeneralMatrix GeneralMatrix\endlink).
 */

// 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_GENERALMATRIX_H
#define CT_GENERALMATRIX_H

#include "cantera/base/ct_defs.h"
#include "cantera/base/ctexceptions.h"
#include "cantera/base/global.h"

namespace Cantera
{

//! Generic matrix
class GeneralMatrix
{
public:
    //! Base Constructor
    GeneralMatrix() : m_factored(false) {}

    virtual ~GeneralMatrix() {}

    //! Zero the matrix elements
    virtual void zero() = 0;

    //! Multiply A*b and write result to prod.
    /*!
     * @param b    Vector to do the rh multiplication
     * @param prod OUTPUT vector to receive the result
     */
    virtual void mult(const doublereal* b, doublereal* prod) const = 0;

    //! Multiply b*A and write result to prod.
    /*!
     * @param b    Vector to do the lh multiplication
     * @param prod OUTPUT vector to receive the result
     */
    virtual void leftMult(const doublereal* const b, doublereal* const prod) const = 0;

    //! Factors the A matrix, overwriting A.
    /*!
     * We flip m_factored boolean to indicate that the matrix is now A-1.
     */
    virtual int factor() = 0;

    //! 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 the info variable from LAPACK
     */
    virtual int factorQR() {
        throw NotImplementedError("GeneralMatrix::factorQR");
    }

    //! 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 the inverse of the condition number
     */
    virtual doublereal rcondQR() {
        throw NotImplementedError("GeneralMatrix::rcondQR");
    }

    //! Returns an estimate of the inverse of the condition number for the matrix
    /*!
     * The matrix must have been previously factored using the LU algorithm
     *
     * @param a1norm Norm of the matrix
     * @returns the inverse of the condition number
     */
    virtual doublereal rcond(doublereal a1norm) = 0;

    //! Change the way the matrix is factored
    /*!
     *  @param fAlgorithm   integer
     *                   0 LU factorization
     *                   1 QR factorization
     */
    virtual void useFactorAlgorithm(int fAlgorithm) {
        throw NotImplementedError("GeneralMatrix::useFactorAlgorithm");
    };

    //! Return the factor algorithm used
    virtual int factorAlgorithm() const = 0;

    //! Calculate the one norm of the matrix
    virtual doublereal oneNorm() const = 0;

    //! Return the number of rows in the matrix
    virtual size_t nRows() const = 0;

    //! clear the factored flag
    virtual void clearFactorFlag() {
        m_factored = 0;
    };

    //! Solves the Ax = b system returning x in the b spot.
    /*!
     * @param b    Vector for the RHS of the equation system
     * @param nrhs Number of right-hand sides to solve, default 1
     * @param ldb  Leading dimension of the right-hand side array. Defaults to
     *              nRows()
     */
    virtual int solve(doublereal* b, size_t nrhs=1, size_t ldb=0) = 0;

    //! true if the current factorization is up to date with the matrix
    virtual bool factored() const {
        return (m_factored != 0);
    }

    //! Return a pointer to the top of column j, columns are assumed to be
    //! contiguous in memory
    /*!
     * @param j   Value of the column
     * @returns a pointer to the top of the column
     */
    virtual doublereal* ptrColumn(size_t j) = 0;

    //! Index into the (i,j) element
    /*!
     * @param i  row
     * @param j  column
     * @returns a changeable reference to the matrix entry
     */
    virtual doublereal& operator()(size_t i, size_t j) = 0;

    //! Constant Index into the (i,j) element
    /*!
     * @param i  row
     * @param j  column
     * @returns an unchangeable reference to the matrix entry
     */
    virtual doublereal operator()(size_t i, size_t j) const = 0;

    //! Return an iterator pointing to the first element
    /*!
     * We might drop this later
     */
    virtual vector_fp::iterator begin() = 0;

    //! Return a const iterator pointing to the first element
    /*!
     * We might drop this later
     */
    virtual vector_fp::const_iterator begin() const = 0;

    //! 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 a vector of pointers to the top of the columns of the matrices.
     */
    virtual doublereal* const* colPts() = 0;

    //! 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
     *
     * @param valueSmall  OUTPUT value of the largest coefficient in the smallest row
     * @return index of the row that is most nearly zero
     */
    virtual size_t checkRows(doublereal& valueSmall) const = 0;

    //! 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
     *
     * @param valueSmall  OUTPUT value of the largest coefficient in the smallest column
     * @return index of the column that is most nearly zero
     */
    virtual size_t checkColumns(doublereal& valueSmall) const = 0;

protected:
    //! Indicates whether the matrix is factored. 0 for unfactored; Non-zero
    //! values indicate a particular factorization (LU=1, QR=2).
    int m_factored;
};

}
#endif