/** * @file DenseMatrix.cpp */ // Copyright 2001 California Institute of Technology #include "cantera/numerics/ctlapack.h" #include "cantera/numerics/DenseMatrix.h" #include "cantera/base/stringUtils.h" namespace Cantera { DenseMatrix::DenseMatrix() : m_useReturnErrorCode(0), m_printLevel(0) { } DenseMatrix::DenseMatrix(size_t n, size_t m, doublereal v) : Array2D(n, m, v), m_useReturnErrorCode(0), m_printLevel(0) { m_ipiv.resize(std::max(n, m)); m_colPts.resize(m); if (!m_data.empty()) { for (size_t j = 0; j < m; j++) { m_colPts[j] = &(m_data[m_nrows*j]); } } } DenseMatrix::DenseMatrix(const DenseMatrix& y) : Array2D(y), m_useReturnErrorCode(0), m_printLevel(0) { m_ipiv = y.ipiv(); m_colPts.resize(m_ncols); if (!m_data.empty()) { for (size_t j = 0; j < m_ncols; j++) { m_colPts[j] = &(m_data[m_nrows*j]); } } } DenseMatrix& DenseMatrix::operator=(const DenseMatrix& y) { if (&y == this) { return *this; } Array2D::operator=(y); m_ipiv = y.ipiv(); m_colPts.resize(m_ncols); for (size_t j = 0; j < m_ncols; j++) { m_colPts[j] = &(m_data[m_nrows*j]); } m_useReturnErrorCode = y.m_useReturnErrorCode; m_printLevel = y.m_printLevel; return *this; } void DenseMatrix::resize(size_t n, size_t m, doublereal v) { Array2D::resize(n,m,v); m_ipiv.resize(std::max(n,m)); m_colPts.resize(m_ncols); if (!m_data.empty()) { for (size_t j = 0; j < m_ncols; j++) { m_colPts[j] = &(m_data[m_nrows*j]); } } } doublereal* const* DenseMatrix::colPts() { return &(m_colPts[0]); } const doublereal* const* DenseMatrix::const_colPts() const { return &(m_colPts[0]); } void DenseMatrix::mult(const double* b, double* prod) const { ct_dgemv(ctlapack::ColMajor, ctlapack::NoTranspose, static_cast(nRows()), static_cast(nRows()), 1.0, ptrColumn(0), static_cast(nRows()), b, 1, 0.0, prod, 1); } void DenseMatrix::mult(const DenseMatrix& B, DenseMatrix& prod) const { if (m_ncols != B.nColumns() || m_nrows != B.nRows() || m_ncols != m_nrows || m_ncols != prod.nColumns() || m_nrows != prod.nColumns()) { throw CanteraError("mult(const DenseMatrix &B, DenseMatrix &prod)", "Cannot multiply matrices that are not square and/or not the same size."); } const doublereal* const* bcols = B.const_colPts(); doublereal* const* prodcols = prod.colPts(); for (size_t col=0; col < m_ncols; ++col) { // Loop over ncols multiplying A*column of B and storing in corresponding prod column mult(bcols[col], prodcols[col]); } } void DenseMatrix::leftMult(const double* const b, double* const prod) const { size_t nc = nColumns(); size_t nr = nRows(); double sum = 0.0; for (size_t n = 0; n < nc; n++) { sum = 0.0; for (size_t i = 0; i < nr; i++) { sum += value(i,n)*b[i]; } prod[n] = sum; } } vector_int& DenseMatrix::ipiv() { return m_ipiv; } int solve(DenseMatrix& A, double* b, size_t nrhs, size_t ldb) { int info = 0; if (A.nColumns() != A.nRows()) { if (A.m_printLevel) { writelogf("solve(DenseMatrix& A, double* b): Can only solve a square matrix\n"); } throw CELapackError("solve(DenseMatrix& A, double* b)", "Can only solve a square matrix"); } ct_dgetrf(A.nRows(), A.nColumns(), A.ptrColumn(0), A.nRows(), &A.ipiv()[0], info); if (info > 0) { if (A.m_printLevel) { writelogf("solve(DenseMatrix& A, double* b): DGETRF returned INFO = %d U(i,i) is exactly zero. The factorization has" " been completed, but the factor U is exactly singular, and division by zero will occur if " "it is used to solve a system of equations.\n", info); } if (!A.m_useReturnErrorCode) { throw CELapackError("solve(DenseMatrix& A, double* b)", "DGETRF returned INFO = "+int2str(info) + ". U(i,i) is exactly zero. The factorization has" " been completed, but the factor U is exactly singular, and division by zero will occur if " "it is used to solve a system of equations."); } return info; } else if (info < 0) { if (A.m_printLevel) { writelogf("solve(DenseMatrix& A, double* b): DGETRF returned INFO = %d. The argument i has an illegal value\n", info); } throw CELapackError("solve(DenseMatrix& A, double* b)", "DGETRF returned INFO = "+int2str(info) + ". The argument i has an illegal value"); } if (ldb == 0) { ldb = A.nColumns(); } ct_dgetrs(ctlapack::NoTranspose, A.nRows(), nrhs, A.ptrColumn(0), A.nRows(), &A.ipiv()[0], b, ldb, info); if (info != 0) { if (A.m_printLevel) { writelogf("solve(DenseMatrix& A, double* b): DGETRS returned INFO = %d\n", info); } if (info < 0 || !A.m_useReturnErrorCode) { throw CELapackError("solve(DenseMatrix& A, double* b)", "DGETRS returned INFO = "+int2str(info)); } } return info; } int solve(DenseMatrix& A, DenseMatrix& b) { return solve(A, b.ptrColumn(0), b.nColumns(), b.nRows()); } void multiply(const DenseMatrix& A, const double* const b, double* const prod) { ct_dgemv(ctlapack::ColMajor, ctlapack::NoTranspose, static_cast(A.nRows()), static_cast(A.nColumns()), 1.0, A.ptrColumn(0), static_cast(A.nRows()), b, 1, 0.0, prod, 1); } void increment(const DenseMatrix& A, const double* b, double* prod) { ct_dgemv(ctlapack::ColMajor, ctlapack::NoTranspose, static_cast(A.nRows()), static_cast(A.nRows()), 1.0, A.ptrColumn(0), static_cast(A.nRows()), b, 1, 1.0, prod, 1); } int invert(DenseMatrix& A, size_t nn) { integer n = static_cast(nn != npos ? nn : A.nRows()); int info=0; ct_dgetrf(n, n, A.ptrColumn(0), static_cast(A.nRows()), &A.ipiv()[0], info); if (info != 0) { if (A.m_printLevel) { writelogf("invert(DenseMatrix& A, int nn): DGETRS returned INFO = %d\n", info); } if (! A.m_useReturnErrorCode) { throw CELapackError("invert(DenseMatrix& A, int nn)", "DGETRS returned INFO = "+int2str(info)); } return info; } vector_fp work(n); integer lwork = static_cast(work.size()); ct_dgetri(n, A.ptrColumn(0), static_cast(A.nRows()), &A.ipiv()[0], &work[0], lwork, info); if (info != 0) { if (A.m_printLevel) { writelogf("invert(DenseMatrix& A, int nn): DGETRS returned INFO = %d\n", info); } if (! A.m_useReturnErrorCode) { throw CELapackError("invert(DenseMatrix& A, int nn)", "DGETRI returned INFO="+int2str(info)); } } return info; } }