| 1 | /*
 | 
|---|
| 2 |  * Project: MoleCuilder
 | 
|---|
| 3 |  * Description: creates and alters molecular systems
 | 
|---|
| 4 |  * Copyright (C)  2010 University of Bonn. All rights reserved.
 | 
|---|
| 5 |  * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
 | 
|---|
| 6 |  */
 | 
|---|
| 7 | 
 | 
|---|
| 8 | /*
 | 
|---|
| 9 |  * MatrixVector_ops.cpp
 | 
|---|
| 10 |  *
 | 
|---|
| 11 |  *  Created on: Nov 18, 2010
 | 
|---|
| 12 |  *      Author: heber
 | 
|---|
| 13 |  */
 | 
|---|
| 14 | 
 | 
|---|
| 15 | // include config.h
 | 
|---|
| 16 | #ifdef HAVE_CONFIG_H
 | 
|---|
| 17 | #include <config.h>
 | 
|---|
| 18 | #endif
 | 
|---|
| 19 | 
 | 
|---|
| 20 | #include "Helpers/MemDebug.hpp"
 | 
|---|
| 21 | 
 | 
|---|
| 22 | #include <gsl/gsl_blas.h>
 | 
|---|
| 23 | #include <gsl/gsl_vector.h>
 | 
|---|
| 24 | 
 | 
|---|
| 25 | #include "Helpers/Assert.hpp"
 | 
|---|
| 26 | #include "LinearAlgebra/MatrixContent.hpp"
 | 
|---|
| 27 | #include "LinearAlgebra/MatrixVector_ops.hpp"
 | 
|---|
| 28 | #include "LinearAlgebra/Vector.hpp"
 | 
|---|
| 29 | #include "LinearAlgebra/VectorContent.hpp"
 | 
|---|
| 30 | 
 | 
|---|
| 31 | /** Vector-Matrix-product.
 | 
|---|
| 32 |  * @param vec vector
 | 
|---|
| 33 |  * @param mat matrix
 | 
|---|
| 34 |  * @return \f$(\text{vec} \cdot \text{mat})\f$
 | 
|---|
| 35 |  */
 | 
|---|
| 36 | VectorContent const operator*(const VectorContent& vec, const MatrixContent& mat)
 | 
|---|
| 37 | {
 | 
|---|
| 38 |   ASSERT( mat.columns == vec.dimension,
 | 
|---|
| 39 |       "operator*() - column dimension of matrix ("+toString(mat.columns)
 | 
|---|
| 40 |       +") and dimension of this vector ("+toString(vec.dimension)+") not equal!");
 | 
|---|
| 41 |   VectorContent result(mat.rows);
 | 
|---|
| 42 |   gsl_blas_dgemv( CblasNoTrans, 1.0, mat.content, vec.content, 0.0, result.content);
 | 
|---|
| 43 |   return result;
 | 
|---|
| 44 | }
 | 
|---|
| 45 | 
 | 
|---|
| 46 | /** Matrix-Vector-product.
 | 
|---|
| 47 |  * @param mat matrix
 | 
|---|
| 48 |  * @param vec vector
 | 
|---|
| 49 |  * @return \f$(\text{mat} \cdot \text{vec})\f$
 | 
|---|
| 50 |  */
 | 
|---|
| 51 | VectorContent const operator*(const MatrixContent& mat, const VectorContent& vec)
 | 
|---|
| 52 | {
 | 
|---|
| 53 |   ASSERT( mat.columns == vec.dimension,
 | 
|---|
| 54 |       "operator*() - column dimension of this matrix ("+toString(mat.columns)
 | 
|---|
| 55 |       +") and dimension of vector ("+toString(vec.dimension)+") not equal!");
 | 
|---|
| 56 |   VectorContent result(mat.rows);
 | 
|---|
| 57 |   gsl_blas_dgemv( CblasNoTrans, 1.0, mat.content, vec.content, 0.0, result.content);
 | 
|---|
| 58 |   return result;
 | 
|---|
| 59 | }
 | 
|---|
| 60 | 
 | 
|---|
| 61 | /** Matrix-Vector-product.
 | 
|---|
| 62 |  * @param mat matrix
 | 
|---|
| 63 |  * @param vec vector
 | 
|---|
| 64 |  * @return \f$(\text{mat} \cdot \text{vec})\f$
 | 
|---|
| 65 |  */
 | 
|---|
| 66 | Vector const operator*(const MatrixContent &mat, const Vector &vec)
 | 
|---|
| 67 | {
 | 
|---|
| 68 |   VectorContent res = mat*(vec.content);
 | 
|---|
| 69 |   return Vector (res);
 | 
|---|
| 70 | }
 | 
|---|
| 71 | 
 | 
|---|
| 72 | /** Matrix-Vector-product.
 | 
|---|
| 73 |  * @param vec vector
 | 
|---|
| 74 |  * @param mat matrix
 | 
|---|
| 75 |  * @return \f$(\text{vec} \cdot \text{mat})\f$
 | 
|---|
| 76 |  */
 | 
|---|
| 77 | Vector const operator*(const Vector &vec, const MatrixContent &mat)
 | 
|---|
| 78 | {
 | 
|---|
| 79 |   VectorContent res = (vec.content)*mat;
 | 
|---|
| 80 |   return Vector(res);
 | 
|---|
| 81 | }
 | 
|---|
| 82 | 
 | 
|---|