forked from lijiext/lammps
193 lines
8.8 KiB
C++
193 lines
8.8 KiB
C++
#ifndef MATRIXDEF_H
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#define MATRIXDEF_H
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/******************************************************************************
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* Common definitions for Matrix and Vector classes
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* This header file contains macros and inline functions needed for the matrix
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* classes. All error checking should be defined here as a macro so that it is
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* neatly disabled when ATC_PRINT_DEBUGGING is not defined
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******************************************************************************/
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/******************************************************************************
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* Headers and namespaces used by Matrix and Vector classes
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******************************************************************************/
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#include <iostream>
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#include <fstream>
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#include <map>
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#include <vector>
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#include <set>
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#include <cstring>
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#include <string>
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#include <iomanip>
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#include <cmath>
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#include "Utility.h"
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namespace ATC_matrix {
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/******************************************************************************
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* Typedefs used by Matrix and Vector classes
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******************************************************************************/
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//* @typedef INDEX
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//* @brief indexing type (default: unsigned) for matrix classes
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// can switch typedef back to unsigned to be more precise, but will cause warnings everywhere
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//typedef unsigned INDEX;
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typedef int INDEX;
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//* @typedef CLONE_TYPE
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//* @brief dimension of matrix to clone
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enum CLONE_TYPE { CLONE_ROW=0, CLONE_COL=1, CLONE_DIAG=2 };
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//* @struct TRIPLET
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//* @brief Triplet output entity
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template <typename T>
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struct TRIPLET { TRIPLET<T>(int _i=0, int _j=0, T _v=T(0)) : i(_i), j(_j), v(_v) {}
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INDEX i, j; T v; };
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/******************************************************************************
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* Definitions for row/column major storage
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******************************************************************************/
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#define COL_STORAGE /* <--- comment out this line for row-major storage*/
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#ifdef COL_STORAGE
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#define DATA(i,j) _data[(i)+_nRows*(j)]
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#else
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#define ROW_STORAGE
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#define DATA(i,j) _data[(i)*_nCols+(j)]
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#endif
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/******************************************************************************
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* error checking macros
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* MICK: checks if index (i,j) is in range MATRIX ONLY
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* VICK: checks if index (i) is in range VECTOR ONLY
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* MICM: checks if index (i,j) is in range, displays message MATRIX ONLY
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* VICM: checks if index (i) is in range, displays message VECTOR ONLY
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* SQCK: checks if matrix is square, displays message MATRIX ONLY
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* SSCK: checks if a has the same size as b VECTOR/MATRIX
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* GCK: generic two object check, checks if c is true VECTOR/MATRIX
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* GCHK: generic check, checks if c is true ANYTHING
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******************************************************************************/
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#define ERROR_FOR_BACKTRACE /**/
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#define MICK(i,j) /**/
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#define VICK(i) /**/
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#define MICM(i,j,m) /**/
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#define VICM(i,m) /**/
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#define SQCK(a,m) /**/
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#define SICK(a,b,m) /**/
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#define SSCK(a,b,m) /**/
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#define GCK(a,b,c,m) /**/
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#define GCHK(c,m) /**/
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// the following two convert __LINE__ to a string
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#define STRING2(x) #x
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#define STRING(x) STRING2(x)
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// prints file and line number for error messages
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#define ERROR(x) __FILE__":"STRING(__LINE__)" "x
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/******************************************************************************
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* BLAS and LAPACK definitions
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******************************************************************************/
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#ifdef MKL
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#include "mkl.h"
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#define dgemv_ dgemv
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#define dgemm_ dgemm
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#define dgetrf_ dgetrf
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#define dgetri_ dgetri
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#define dgecon_ dgecon
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#define dlange_ dlange
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#define dsygvd_ dsygvd
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#define dgesvd_ dgesvd
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#define dgesdd_ dgesdd
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#else
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extern "C"
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{
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extern void dgemv_(char*,int*,int*,double*,const double*,int*,const double*,int *,double*,double*,int*);
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extern void dgemm_(char*,char*,int*,int*,int*,double*,const double*,int*,const double*,int*,double*,double*,int*);
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extern void dgetrf_(int*,int*,double*,int*,int*,int*);
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extern void dgetri_(int*,double*,int*,int*,double*,int*,int*);
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extern void dgecon_(char*,int*,double*,int*,double*,double*,double*,int*,int*);
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extern double dlange_(char*,int*,int*,const double*,int*,double*);
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extern double dsygvd_(int*,char*,char*,int*,double*,int*,double*,int*,double*,double*,int*,int*,int*,int*);
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extern double dgesvd_(char*,char*,int*,int*,double*,int*,double*,double*,int*,double*,int*,double*,int*,int*);
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extern double dgesdd_(char*,char*,int*,int*,double*,int*,double*,double*,int*,double*,int*,double*,int*,int*);
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};
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#endif
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// forward declarations of matrix and vector classes
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template<typename T> class Matrix;
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template<typename T> class DenseMatrix;
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template<typename T> class ParDenseMatrix;
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template<typename T> class SparseMatrix;
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template<typename T> class ParSparseMatrix;
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template<typename T> class SparseVector;
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template<typename T> class DiagonalMatrix;
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template<typename T> class ParDiagonalMatrix;
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template<typename T> class Vector;
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template<typename T> class DenseVector;
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template<typename T> class CloneVector;
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template<typename T> class WrapMatrix;
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template<typename T> class WrapVector;
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//* forward declaration of operations
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//@{
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template<class T> DenseVector<T> operator*(const Matrix<T> &M, const SparseVector<T> &v);
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template<class T> DenseVector<T> operator*(const SparseVector<T> &v, const Matrix<T> &M);
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template<class T> SparseVector<T> operator*(const SparseMatrix<T> &M, const SparseVector<T> &v);
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template<class T> SparseVector<T> operator*(const SparseVector<T> &v, const SparseMatrix<T> &M);
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template<class T> DenseVector<T> operator*(const SparseMatrix<T> &A, const Vector<T>& x);
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template<class T> DenseVector<T> operator*(const Vector<T> &A, const SparseMatrix<T>& x);
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template<class T> DenseMatrix<T> operator*(const SparseMatrix<T> &A, const Matrix<T>& D);
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template<class T> SparseMatrix<T> operator*(const SparseMatrix<T> &A, const DiagonalMatrix<T>& D);
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template<class T> SparseMatrix<T> operator*(const SparseMatrix<T> &A, const SparseMatrix<T> &B);
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template<class T> T dot(const SparseVector<T> &a, const SparseVector<T> &b);
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//@}
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template<class T> CloneVector<T> column(Matrix<T> &c, INDEX i) {
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return CloneVector<T>(c, CLONE_COL, i);
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}
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template<class T> CloneVector<T> row(Matrix<T> &c, INDEX i) {
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return CloneVector<T>(c, CLONE_ROW, i);
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}
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template<class T> CloneVector<T> diagonal(Matrix<T> &c) {
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return CloneVector<T>(c, CLONE_DIAG);
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}
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template<class T> const CloneVector<T> column(const Matrix<T> &c, INDEX i) {
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return CloneVector<T>(c, CLONE_COL, i);
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}
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template<class T> const CloneVector<T> row(const Matrix<T> &c, INDEX i) {
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return CloneVector<T>(c, CLONE_ROW, i);
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}
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template<class T> const CloneVector<T> diagonal(const Matrix<T> &c) {
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return CloneVector<T>(c, CLONE_DIAG);
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}
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template<class T> const SparseMatrix<T> *sparse_cast(const Matrix<T> *m);
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template<class T> const DiagonalMatrix<T> *diag_cast(const Matrix<T> *m);
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template<class T> void copy_sparse_to_matrix(const SparseMatrix<T> *s, Matrix<T> &m);
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template<typename T> DenseMatrix<T> operator*(const DiagonalMatrix<T>& A, const Matrix<T> &B);
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template<typename T> DenseMatrix<T> operator*(const Matrix<T> &B, const DiagonalMatrix<T>& A);
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// double precision shortcuts
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typedef Matrix<double> MATRIX; // matrix of double
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typedef Vector<double> VECTOR; // vector of double
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typedef DenseMatrix<double> DENS_MAT; // dense matrix of double type
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typedef ParDenseMatrix<double> PAR_DENS_MAT; // parallel dense matrix of doubles
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typedef CloneVector<double> CLON_VEC; // cloned vector of double type
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typedef DenseVector<double> DENS_VEC; // dense vector of double type
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typedef DiagonalMatrix<double> DIAG_MAT; // diagonal matrix of double type
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typedef ParDiagonalMatrix<double> PAR_DIAG_MAT; // diagonal matrix of double type
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typedef SparseMatrix<double> SPAR_MAT; // sparse matrix of double type
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typedef ParSparseMatrix<double> PAR_SPAR_MAT; // parallel sparse matrix of doubles
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typedef SparseVector<double> SPAR_VEC; // sparse matrix of double type
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typedef std::vector<DenseMatrix<double> > DENS_MAT_VEC;
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typedef std::vector<SparseMatrix<double> * > SPAR_MAT_VEC;
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// int containers
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typedef DenseMatrix<int> INT_ARRAY; // to become vector<int> or Array2D
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//typedef SparseMatrix<int> SPAR_INT_ARRAY; // to become ?
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typedef DenseVector<int> INT_VECTOR; // to become vector<int> or Array
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// forward declaration of error messages
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template<typename T> void ierror(const Matrix<T> &a, const char *FILE, int LINE, INDEX i, INDEX j=0);
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template<typename T> void ierror(const Matrix<T> &a, INDEX i, INDEX j, const std::string m);
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template<typename T> void merror(const Matrix<T> &a, const Matrix<T> &b, const std::string m);
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inline void gerror(const std::string m) { std::cout<<"Error: "<<m<<"\n"; ERROR_FOR_BACKTRACE ; exit(EXIT_FAILURE); }
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} // end namespace
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#endif
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