284 lines
7.8 KiB
C++
284 lines
7.8 KiB
C++
/**
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* @file SquareMatrix.h
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* Dense, Square (not sparse) matrices.
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*/
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/*
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* Copyright 2004 Sandia Corporation. Under the terms of Contract
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* DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
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* retains certain rights in this software.
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* See file License.txt for licensing information.
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*/
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#ifndef CT_SQUAREMATRIX_H
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#define CT_SQUAREMATRIX_H
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#include "DenseMatrix.h"
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#include "GeneralMatrix.h"
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namespace Cantera
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{
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/**
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* A class for full (non-sparse) matrices with Fortran-compatible
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* data storage. Adds matrix inversion operations to this class from DenseMatrix.
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*/
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class SquareMatrix: public DenseMatrix, public GeneralMatrix
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{
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public:
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//! Base Constructor.
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/*!
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* Create an \c 0 by \c 0 matrix, and initialize all elements to \c 0.
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*/
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SquareMatrix();
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//! Constructor.
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/*!
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* Create an \c n by \c n matrix, and initialize all elements to \c v.
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*
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* @param n size of the square matrix
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* @param v initial value of all matrix components.
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*/
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SquareMatrix(size_t n, doublereal v = 0.0);
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//! Copy Constructor
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/*!
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* @param right Object to be copied
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*/
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SquareMatrix(const SquareMatrix& right);
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//! Assignment operator
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/*!
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* @param right Object to be copied
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*/
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SquareMatrix& operator=(const SquareMatrix& right);
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//! Destructor. Does nothing.
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virtual ~SquareMatrix();
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//! Solves the Ax = b system returning x in the b spot.
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/*!
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* @param b Vector for the rhs of the equation system
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*/
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int solve(doublereal* b);
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//! Resize the matrix
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/*!
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* @param n Number of rows
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* @param m Number of columns
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* @param v double to fill the new space (defaults to zero)
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*/
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void resize(size_t n, size_t m, doublereal v = 0.0);
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/**
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* Zero the matrix
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*/
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void zero();
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//! Multiply A*b and write result to prod.
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/*!
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* @param b Vector to do the rh multiplication
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* @param prod OUTPUT vector to receive the result
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*/
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virtual void mult(const doublereal* b, doublereal* prod) const;
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//! Multiply b*A and write result to prod.
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/*!
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* @param b Vector to do the lh multiplication
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* @param prod OUTPUT vector to receive the result
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*/
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virtual void leftMult(const doublereal* const b, doublereal* const prod) const;
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/**
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* Factors the A matrix, overwriting A. We flip m_factored
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* boolean to indicate that the matrix is now A-1.
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*/
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int factor();
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//! Factors the A matrix using the QR algorithm, overwriting A
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/*!
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* we set m_factored to 2 to indicate the matrix is now QR factored
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*
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* @return Returns the info variable from lapack
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*/
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virtual int factorQR();
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//! Returns an estimate of the inverse of the condition number for the matrix
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/*!
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* The matrix must have been previously factored using the QR algorithm
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*
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* @return returns the inverse of the condition number
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*/
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virtual doublereal rcondQR();
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//! Returns an estimate of the inverse of the condition number for the matrix
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/*!
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* The matrix must have been previously factored using the LU algorithm
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*
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* @param a1norm Norm of the matrix
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*
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* @return returns the inverse of the condition number
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*/
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virtual doublereal rcond(doublereal a1norm);
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//! Returns the one norm of the matrix
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virtual doublereal oneNorm() const;
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//! Solves the linear problem Ax=b using the QR algorithm returning x in the b spot
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/*!
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* @param b RHS to be solved.
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*/
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int solveQR(doublereal* b);
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//! clear the factored flag
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virtual void clearFactorFlag();
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//! set the factored flag
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void setFactorFlag();
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//! Report whether the current matrix has been factored.
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virtual bool factored() const;
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//! Change the way the matrix is factored
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/*!
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* @param fAlgorithm integer
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* 0 LU factorization
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* 1 QR factorization
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*/
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virtual void useFactorAlgorithm(int fAlgorithm);
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//! Returns the factor algorithm used
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/*!
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* 0 LU decomposition
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* 1 QR decomposition
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*
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* This routine will always return 0
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*/
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virtual int factorAlgorithm() const;
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//! Return a pointer to the top of column j, columns are assumed to be contiguous in memory
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/*!
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* @param j Value of the column
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*
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* @return Returns a pointer to the top of the column
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*/
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virtual doublereal* ptrColumn(size_t j);
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//! Index into the (i,j) element
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/*!
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* @param i row
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* @param j column
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*
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* (note, tried a using directive here, and it didn't seem to work)
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*
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* Returns a changeable reference to the matrix entry
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*/
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virtual doublereal& operator()(size_t i, size_t j) {
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return Array2D::operator()(i, j);
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}
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//! Copy the data from one array into another without doing any checking
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/*!
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* This differs from the assignment operator as no resizing is done and memcpy() is used.
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* @param y Array to be copied
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*/
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virtual void copyData(const GeneralMatrix& y);
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//! Constant Index into the (i,j) element
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/*!
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* @param i row
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* @param j column
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*
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* Returns an unchangeable reference to the matrix entry
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*/
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virtual doublereal operator()(size_t i, size_t j) const {
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return Array2D::operator()(i, j);
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}
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//! Return the number of rows in the matrix
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virtual size_t nRows() const;
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//! Return the size and structure of the matrix
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/*!
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* This is inherited from GeneralMatrix
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*
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* @param iStruct OUTPUT Pointer to a vector of ints that describe the structure of the matrix.
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* not used
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*
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* @return returns the number of rows and columns in the matrix.
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*/
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size_t nRowsAndStruct(size_t* const iStruct = 0) const;
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//! Duplicate this object
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virtual GeneralMatrix* duplMyselfAsGeneralMatrix() const;
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//! Return an iterator pointing to the first element
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/*!
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*/
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virtual vector_fp::iterator begin();
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//! Return a const iterator pointing to the first element
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virtual vector_fp::const_iterator begin() const;
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//! Return a vector of const pointers to the columns
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/*!
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* Note the value of the pointers are protected by their being const.
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* However, the value of the matrix is open to being changed.
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*
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* @return returns a vector of pointers to the top of the columns
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* of the matrices.
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*/
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virtual doublereal* const* colPts();
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//! Check to see if we have any zero rows in the jacobian
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/*!
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* This utility routine checks to see if any rows are zero.
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* The smallest row is returned along with the largest coefficient in that row
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*
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* @param valueSmall OUTPUT value of the largest coefficient in the smallest row
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*
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* @return index of the row that is most nearly zero
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*/
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virtual size_t checkRows(doublereal& valueSmall) const;
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//! Check to see if we have any zero columns in the jacobian
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/*!
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* This utility routine checks to see if any columns are zero.
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* The smallest column is returned along with the largest coefficient in that column
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*
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* @param valueSmall OUTPUT value of the largest coefficient in the smallest column
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*
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* @return index of the column that is most nearly zero
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*/
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virtual size_t checkColumns(doublereal& valueSmall) const;
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protected:
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//! the factor flag
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int m_factored;
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public:
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//! Work vector for QR algorithm
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vector_fp tau;
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//! Work vector for QR algorithm
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vector_fp work;
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//! Integer work vector for QR algorithms
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std::vector<int> iwork_;
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protected:
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//! 1-norm of the matrix. This is determined immediately before every factorization
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doublereal a1norm_;
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//! Use the QR algorithm to factor and invert the matrix
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int useQR_;
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};
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}
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#endif
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