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root/OpenMD/trunk/src/math/RectMatrix.hpp

Comparing trunk/src/math/RectMatrix.hpp (file contents):
Revision 385 by tim, Tue Mar 1 20:10:14 2005 UTC vs.
Revision 1933 by gezelter, Fri Aug 23 15:59:23 2013 UTC

#	Line 1 | Line 1
1	<	/*
1	>	/*
2		* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3		*
4		* The University of Notre Dame grants you ("Licensee") a
#	Line 6 | Line 6
6		* redistribute this software in source and binary code form, provided
7		* that the following conditions are met:
8		*
9	<	* 1. Acknowledgement of the program authors must be made in any
10	<	*    publication of scientific results based in part on use of the
11	<	*    program.  An acceptable form of acknowledgement is citation of
12	<	*    the article in which the program was described (Matthew
13	<	*    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14	<	*    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15	<	*    Parallel Simulation Engine for Molecular Dynamics,"
16	<	*    J. Comput. Chem. 26, pp. 252-271 (2005))
17	<	*
18	<	* 2. Redistributions of source code must retain the above copyright
9	>	* 1. Redistributions of source code must retain the above copyright
10		*    notice, this list of conditions and the following disclaimer.
11		*
12	<	* 3. Redistributions in binary form must reproduce the above copyright
12	>	* 2. Redistributions in binary form must reproduce the above copyright
13		*    notice, this list of conditions and the following disclaimer in the
14		*    documentation and/or other materials provided with the
15		*    distribution.
#	Line 37 | Line 28
28		* arising out of the use of or inability to use software, even if the
29		* University of Notre Dame has been advised of the possibility of
30		* such damages.
31	+	*
32	+	* SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33	+	* research, please cite the appropriate papers when you publish your
34	+	* work.  Good starting points are:
35	+	*
36	+	* [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37	+	* [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38	+	* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
39	+	* [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	+	* [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42
43		/**
#	Line 52 | Line 53
53		#include <cmath>
54		#include "Vector.hpp"
55
56	<	namespace oopse {
56	>	namespace OpenMD {
57
58	<	/**
59	<	* @class RectMatrix RectMatrix.hpp "math/RectMatrix.hpp"
60	<	* @brief rectangular matrix class
61	<	*/
62	<	template<typename Real, unsigned int Row, unsigned int Col>
63	<	class RectMatrix {
64	<	public:
65	<	typedef Real ElemType;
66	<	typedef Real* ElemPoinerType;
58	>	/**
59	>	* @class RectMatrix RectMatrix.hpp "math/RectMatrix.hpp"
60	>	* @brief rectangular matrix class
61	>	*/
62	>	template<typename Real, unsigned int Row, unsigned int Col>
63	>	class RectMatrix {
64	>	public:
65	>	typedef Real ElemType;
66	>	typedef Real* ElemPoinerType;
67
68	<	/** default constructor */
69	<	RectMatrix() {
70	<	for (unsigned int i = 0; i < Row; i++)
71	<	for (unsigned int j = 0; j < Col; j++)
72	<	this->data_[i][j] = 0.0;
73	<	}
68	>	/** default constructor */
69	>	RectMatrix() {
70	>	for (unsigned int i = 0; i < Row; i++)
71	>	for (unsigned int j = 0; j < Col; j++)
72	>	this->data_[i][j] = 0.0;
73	>	}
74
75	<	/** Constructs and initializes every element of this matrix to a scalar */
76	<	RectMatrix(Real s) {
77	<	for (unsigned int i = 0; i < Row; i++)
78	<	for (unsigned int j = 0; j < Col; j++)
79	<	this->data_[i][j] = s;
80	<	}
75	>	/** Constructs and initializes every element of this matrix to a scalar */
76	>	RectMatrix(Real s) {
77	>	for (unsigned int i = 0; i < Row; i++)
78	>	for (unsigned int j = 0; j < Col; j++)
79	>	this->data_[i][j] = s;
80	>	}
81
82	<	RectMatrix(Real* array) {
83	<	for (unsigned int i = 0; i < Row; i++)
84	<	for (unsigned int j = 0; j < Col; j++)
85	<	this->data_[i][j] = array[i * Row + j];
86	<	}
82	>	RectMatrix(Real* array) {
83	>	for (unsigned int i = 0; i < Row; i++)
84	>	for (unsigned int j = 0; j < Col; j++)
85	>	this->data_[i][j] = array[i * Row + j];
86	>	}
87
88	<	/** copy constructor */
89	<	RectMatrix(const RectMatrix<Real, Row, Col>& m) {
90	<	*this = m;
91	<	}
88	>	/** copy constructor */
89	>	RectMatrix(const RectMatrix<Real, Row, Col>& m) {
90	>	*this = m;
91	>	}
92
93	<	/** destructor*/
94	<	~RectMatrix() {}
93	>	/** destructor*/
94	>	~RectMatrix() {}
95
96	<	/** copy assignment operator */
97	<	RectMatrix<Real, Row, Col>& operator =(const RectMatrix<Real, Row, Col>& m) {
98	<	if (this == &m)
99	<	return *this;
96	>	/** copy assignment operator */
97	>	RectMatrix<Real, Row, Col>& operator =(const RectMatrix<Real, Row, Col>& m) {
98	>	if (this == &m)
99	>	return *this;
100
101	<	for (unsigned int i = 0; i < Row; i++)
102	<	for (unsigned int j = 0; j < Col; j++)
103	<	this->data_[i][j] = m.data_[i][j];
104	<	return *this;
105	<	}
101	>	for (unsigned int i = 0; i < Row; i++)
102	>	for (unsigned int j = 0; j < Col; j++)
103	>	this->data_[i][j] = m.data_[i][j];
104	>	return *this;
105	>	}
106
107	<	/**
108	<	* Return the reference of a single element of this matrix.
109	<	* @return the reference of a single element of this matrix
110	<	* @param i row index
111	<	* @param j Column index
112	<	*/
113	<	Real& operator()(unsigned int i, unsigned int j) {
114	<	//assert( i < Row && j < Col);
115	<	return this->data_[i][j];
116	<	}
107	>	/**
108	>	* Return the reference of a single element of this matrix.
109	>	* @return the reference of a single element of this matrix
110	>	* @param i row index
111	>	* @param j Column index
112	>	*/
113	>	Real& operator()(unsigned int i, unsigned int j) {
114	>	//assert( i < Row && j < Col);
115	>	return this->data_[i][j];
116	>	}
117
118	<	/**
119	<	* Return the value of a single element of this matrix.
120	<	* @return the value of a single element of this matrix
121	<	* @param i row index
122	<	* @param j Column index
123	<	*/
124	<	Real operator()(unsigned int i, unsigned int j) const  {
118	>	/**
119	>	* Return the value of a single element of this matrix.
120	>	* @return the value of a single element of this matrix
121	>	* @param i row index
122	>	* @param j Column index
123	>	*/
124	>	Real operator()(unsigned int i, unsigned int j) const  {
125
126	<	return this->data_[i][j];
127	<	}
126	>	return this->data_[i][j];
127	>	}
128
129	<	/**
130	<	* Copy the internal data to an array
131	<	* @param array the pointer of destination array
132	<	*/
133	<	void getArray(Real* array) {
134	<	for (unsigned int i = 0; i < Row; i++) {
135	<	for (unsigned int j = 0; j < Col; j++) {
136	<	array[i * Row + j] = this->data_[i][j];
137	<	}
138	<	}
139	<	}
129	>	/**
130	>	* Copy the internal data to an array
131	>	* @param array the pointer of destination array
132	>	*/
133	>	void getArray(Real* array) {
134	>	for (unsigned int i = 0; i < Row; i++) {
135	>	for (unsigned int j = 0; j < Col; j++) {
136	>	array[i * Row + j] = this->data_[i][j];
137	>	}
138	>	}
139	>	}
140
141
142	<	/** Returns the pointer of internal array */
143	<	Real* getArrayPointer() {
144	<	return &this->data_[0][0];
145	<	}
142	>	/** Returns the pointer of internal array */
143	>	Real* getArrayPointer() {
144	>	return &this->data_[0][0];
145	>	}
146
147	<	/**
148	<	* Returns a row of  this matrix as a vector.
149	<	* @return a row of  this matrix as a vector
150	<	* @param row the row index
151	<	*/
152	<	Vector<Real, Row> getRow(unsigned int row) {
153	<	Vector<Real, Row> v;
147	>	/**
148	>	* Returns a row of  this matrix as a vector.
149	>	* @return a row of  this matrix as a vector
150	>	* @param row the row index
151	>	*/
152	>	Vector<Real, Row> getRow(unsigned int row) {
153	>	Vector<Real, Row> v;
154
155	<	for (unsigned int i = 0; i < Row; i++)
156	<	v[i] = this->data_[row][i];
155	>	for (unsigned int i = 0; i < Col; i++)
156	>	v[i] = this->data_[row][i];
157
158	<	return v;
159	<	}
158	>	return v;
159	>	}
160
161	<	/**
162	<	* Sets a row of  this matrix
163	<	* @param row the row index
164	<	* @param v the vector to be set
165	<	*/
166	<	void setRow(unsigned int row, const Vector<Real, Row>& v) {
161	>	/**
162	>	* Sets a row of  this matrix
163	>	* @param row the row index
164	>	* @param v the vector to be set
165	>	*/
166	>	void setRow(unsigned int row, const Vector<Real, Row>& v) {
167
168	<	for (unsigned int i = 0; i < Row; i++)
169	<	this->data_[row][i] = v[i];
170	<	}
168	>	for (unsigned int i = 0; i < Col; i++)
169	>	this->data_[row][i] = v[i];
170	>	}
171
172	<	/**
173	<	* Returns a column of  this matrix as a vector.
174	<	* @return a column of  this matrix as a vector
175	<	* @param col the column index
176	<	*/
177	<	Vector<Real, Col> getColumn(unsigned int col) {
178	<	Vector<Real, Col> v;
172	>	/**
173	>	* Returns a column of  this matrix as a vector.
174	>	* @return a column of  this matrix as a vector
175	>	* @param col the column index
176	>	*/
177	>	Vector<Real, Col> getColumn(unsigned int col) {
178	>	Vector<Real, Col> v;
179
180	<	for (unsigned int j = 0; j < Col; j++)
181	<	v[j] = this->data_[j][col];
180	>	for (unsigned int j = 0; j < Row; j++)
181	>	v[j] = this->data_[j][col];
182
183	<	return v;
184	<	}
183	>	return v;
184	>	}
185
186	<	/**
187	<	* Sets a column of  this matrix
188	<	* @param col the column index
189	<	* @param v the vector to be set
190	<	*/
191	<	void setColumn(unsigned int col, const Vector<Real, Col>& v){
186	>	/**
187	>	* Sets a column of  this matrix
188	>	* @param col the column index
189	>	* @param v the vector to be set
190	>	*/
191	>	void setColumn(unsigned int col, const Vector<Real, Col>& v){
192
193	<	for (unsigned int j = 0; j < Col; j++)
194	<	this->data_[j][col] = v[j];
195	<	}
193	>	for (unsigned int j = 0; j < Row; j++)
194	>	this->data_[j][col] = v[j];
195	>	}
196
197	<	/**
198	<	* swap two rows of this matrix
199	<	* @param i the first row
200	<	* @param j the second row
201	<	*/
202	<	void swapRow(unsigned int i, unsigned int j){
203	<	assert(i < Row && j < Row);
197	>	/**
198	>	* swap two rows of this matrix
199	>	* @param i the first row
200	>	* @param j the second row
201	>	*/
202	>	void swapRow(unsigned int i, unsigned int j){
203	>	assert(i < Row && j < Row);
204
205	<	for (unsigned int k = 0; k < Col; k++)
206	<	std::swap(this->data_[i][k], this->data_[j][k]);
207	<	}
205	>	for (unsigned int k = 0; k < Col; k++)
206	>	std::swap(this->data_[i][k], this->data_[j][k]);
207	>	}
208
209	<	/**
210	<	* swap two Columns of this matrix
211	<	* @param i the first Column
212	<	* @param j the second Column
213	<	*/
214	<	void swapColumn(unsigned int i, unsigned int j){
215	<	assert(i < Col && j < Col);
209	>	/**
210	>	* swap two Columns of this matrix
211	>	* @param i the first Column
212	>	* @param j the second Column
213	>	*/
214	>	void swapColumn(unsigned int i, unsigned int j){
215	>	assert(i < Col && j < Col);
216
217	<	for (unsigned int k = 0; k < Row; k++)
218	<	std::swap(this->data_[k][i], this->data_[k][j]);
219	<	}
217	>	for (unsigned int k = 0; k < Row; k++)
218	>	std::swap(this->data_[k][i], this->data_[k][j]);
219	>	}
220
221	<	/**
222	<	* Tests if this matrix is identical to matrix m
223	<	* @return true if this matrix is equal to the matrix m, return false otherwise
224	<	* @m matrix to be compared
225	<	*
226	<	* @todo replace operator == by template function equal
227	<	*/
228	<	bool operator ==(const RectMatrix<Real, Row, Col>& m) {
229	<	for (unsigned int i = 0; i < Row; i++)
230	<	for (unsigned int j = 0; j < Col; j++)
231	<	if (!equal(this->data_[i][j], m.data_[i][j]))
232	<	return false;
221	>	/**
222	>	* Tests if this matrix is identical to matrix m
223	>	* @return true if this matrix is equal to the matrix m, return false otherwise
224	>	* @param m matrix to be compared
225	>	*
226	>	* @todo replace operator == by template function equal
227	>	*/
228	>	bool operator ==(const RectMatrix<Real, Row, Col>& m) {
229	>	for (unsigned int i = 0; i < Row; i++)
230	>	for (unsigned int j = 0; j < Col; j++)
231	>	if (!equal(this->data_[i][j], m.data_[i][j]))
232	>	return false;
233
234	<	return true;
235	<	}
234	>	return true;
235	>	}
236
237	<	/**
238	<	* Tests if this matrix is not equal to matrix m
239	<	* @return true if this matrix is not equal to the matrix m, return false otherwise
240	<	* @m matrix to be compared
241	<	*/
242	<	bool operator !=(const RectMatrix<Real, Row, Col>& m) {
243	<	return !(*this == m);
244	<	}
237	>	/**
238	>	* Tests if this matrix is not equal to matrix m
239	>	* @return true if this matrix is not equal to the matrix m, return false otherwise
240	>	* @param m matrix to be compared
241	>	*/
242	>	bool operator !=(const RectMatrix<Real, Row, Col>& m) {
243	>	return !(*this == m);
244	>	}
245
246	<	/** Negates the value of this matrix in place. */
247	<	inline void negate() {
248	<	for (unsigned int i = 0; i < Row; i++)
249	<	for (unsigned int j = 0; j < Col; j++)
250	<	this->data_[i][j] = -this->data_[i][j];
251	<	}
246	>	/** Negates the value of this matrix in place. */
247	>	inline void negate() {
248	>	for (unsigned int i = 0; i < Row; i++)
249	>	for (unsigned int j = 0; j < Col; j++)
250	>	this->data_[i][j] = -this->data_[i][j];
251	>	}
252
253	<	/**
254	<	* Sets the value of this matrix to the negation of matrix m.
255	<	* @param m the source matrix
256	<	*/
257	<	inline void negate(const RectMatrix<Real, Row, Col>& m) {
258	<	for (unsigned int i = 0; i < Row; i++)
259	<	for (unsigned int j = 0; j < Col; j++)
260	<	this->data_[i][j] = -m.data_[i][j];
261	<	}
253	>	/**
254	>	* Sets the value of this matrix to the negation of matrix m.
255	>	* @param m the source matrix
256	>	*/
257	>	inline void negate(const RectMatrix<Real, Row, Col>& m) {
258	>	for (unsigned int i = 0; i < Row; i++)
259	>	for (unsigned int j = 0; j < Col; j++)
260	>	this->data_[i][j] = -m.data_[i][j];
261	>	}
262
263	<	/**
264	<	* Sets the value of this matrix to the sum of itself and m (*this += m).
265	<	* @param m the other matrix
266	<	*/
267	<	inline void add( const RectMatrix<Real, Row, Col>& m ) {
268	<	for (unsigned int i = 0; i < Row; i++)
269	<	for (unsigned int j = 0; j < Col; j++)
270	<	this->data_[i][j] += m.data_[i][j];
271	<	}
263	>	/**
264	>	* Sets the value of this matrix to the sum of itself and m (*this += m).
265	>	* @param m the other matrix
266	>	*/
267	>	inline void add( const RectMatrix<Real, Row, Col>& m ) {
268	>	for (unsigned int i = 0; i < Row; i++)
269	>	for (unsigned int j = 0; j < Col; j++)
270	>	this->data_[i][j] += m.data_[i][j];
271	>	}
272
273	<	/**
274	<	* Sets the value of this matrix to the sum of m1 and m2 (*this = m1 + m2).
275	<	* @param m1 the first matrix
276	<	* @param m2 the second matrix
277	<	*/
278	<	inline void add( const RectMatrix<Real, Row, Col>& m1, const RectMatrix<Real, Row, Col>& m2 ) {
279	<	for (unsigned int i = 0; i < Row; i++)
280	<	for (unsigned int j = 0; j < Col; j++)
281	<	this->data_[i][j] = m1.data_[i][j] + m2.data_[i][j];
282	<	}
273	>	/**
274	>	* Sets the value of this matrix to the sum of m1 and m2 (*this = m1 + m2).
275	>	* @param m1 the first matrix
276	>	* @param m2 the second matrix
277	>	*/
278	>	inline void add( const RectMatrix<Real, Row, Col>& m1, const RectMatrix<Real, Row, Col>& m2 ) {
279	>	for (unsigned int i = 0; i < Row; i++)
280	>	for (unsigned int j = 0; j < Col; j++)
281	>	this->data_[i][j] = m1.data_[i][j] + m2.data_[i][j];
282	>	}
283
284	<	/**
285	<	* Sets the value of this matrix to the difference  of itself and m (*this -= m).
286	<	* @param m the other matrix
287	<	*/
288	<	inline void sub( const RectMatrix<Real, Row, Col>& m ) {
289	<	for (unsigned int i = 0; i < Row; i++)
290	<	for (unsigned int j = 0; j < Col; j++)
291	<	this->data_[i][j] -= m.data_[i][j];
292	<	}
284	>	/**
285	>	* Sets the value of this matrix to the difference  of itself and m (*this -= m).
286	>	* @param m the other matrix
287	>	*/
288	>	inline void sub( const RectMatrix<Real, Row, Col>& m ) {
289	>	for (unsigned int i = 0; i < Row; i++)
290	>	for (unsigned int j = 0; j < Col; j++)
291	>	this->data_[i][j] -= m.data_[i][j];
292	>	}
293
294	<	/**
295	<	* Sets the value of this matrix to the difference of matrix m1 and m2 (*this = m1 - m2).
296	<	* @param m1 the first matrix
297	<	* @param m2 the second matrix
298	<	*/
299	<	inline void sub( const RectMatrix<Real, Row, Col>& m1, const RectMatrix<Real, Row, Col>& m2){
300	<	for (unsigned int i = 0; i < Row; i++)
301	<	for (unsigned int j = 0; j < Col; j++)
302	<	this->data_[i][j] = m1.data_[i][j] - m2.data_[i][j];
303	<	}
294	>	/**
295	>	* Sets the value of this matrix to the difference of matrix m1 and m2 (*this = m1 - m2).
296	>	* @param m1 the first matrix
297	>	* @param m2 the second matrix
298	>	*/
299	>	inline void sub( const RectMatrix<Real, Row, Col>& m1, const RectMatrix<Real, Row, Col>& m2){
300	>	for (unsigned int i = 0; i < Row; i++)
301	>	for (unsigned int j = 0; j < Col; j++)
302	>	this->data_[i][j] = m1.data_[i][j] - m2.data_[i][j];
303	>	}
304
305	<	/**
306	<	* Sets the value of this matrix to the scalar multiplication of itself (*this *= s).
307	<	* @param s the scalar value
308	<	*/
309	<	inline void mul( Real s ) {
310	<	for (unsigned int i = 0; i < Row; i++)
311	<	for (unsigned int j = 0; j < Col; j++)
312	<	this->data_[i][j] *= s;
313	<	}
305	>	/**
306	>	* Sets the value of this matrix to the scalar multiplication of itself (*this *= s).
307	>	* @param s the scalar value
308	>	*/
309	>	inline void mul( Real s ) {
310	>	for (unsigned int i = 0; i < Row; i++)
311	>	for (unsigned int j = 0; j < Col; j++)
312	>	this->data_[i][j] *= s;
313	>	}
314
315	<	/**
316	<	* Sets the value of this matrix to the scalar multiplication of matrix m  (*this = s * m).
317	<	* @param s the scalar value
318	<	* @param m the matrix
319	<	*/
320	<	inline void mul( Real s, const RectMatrix<Real, Row, Col>& m ) {
321	<	for (unsigned int i = 0; i < Row; i++)
322	<	for (unsigned int j = 0; j < Col; j++)
323	<	this->data_[i][j] = s * m.data_[i][j];
324	<	}
315	>	/**
316	>	* Sets the value of this matrix to the scalar multiplication of matrix m  (*this = s * m).
317	>	* @param s the scalar value
318	>	* @param m the matrix
319	>	*/
320	>	inline void mul( Real s, const RectMatrix<Real, Row, Col>& m ) {
321	>	for (unsigned int i = 0; i < Row; i++)
322	>	for (unsigned int j = 0; j < Col; j++)
323	>	this->data_[i][j] = s * m.data_[i][j];
324	>	}
325
326	<	/**
327	<	* Sets the value of this matrix to the scalar division of itself  (*this /= s ).
328	<	* @param s the scalar value
329	<	*/
330	<	inline void div( Real s) {
331	<	for (unsigned int i = 0; i < Row; i++)
332	<	for (unsigned int j = 0; j < Col; j++)
333	<	this->data_[i][j] /= s;
334	<	}
326	>	/**
327	>	* Sets the value of this matrix to the scalar division of itself  (*this /= s ).
328	>	* @param s the scalar value
329	>	*/
330	>	inline void div( Real s) {
331	>	for (unsigned int i = 0; i < Row; i++)
332	>	for (unsigned int j = 0; j < Col; j++)
333	>	this->data_[i][j] /= s;
334	>	}
335
336	<	/**
337	<	* Sets the value of this matrix to the scalar division of matrix m  (*this = m /s).
338	<	* @param s the scalar value
339	<	* @param m the matrix
340	<	*/
341	<	inline void div( Real s, const RectMatrix<Real, Row, Col>& m ) {
342	<	for (unsigned int i = 0; i < Row; i++)
343	<	for (unsigned int j = 0; j < Col; j++)
344	<	this->data_[i][j] = m.data_[i][j] / s;
345	<	}
336	>	/**
337	>	* Sets the value of this matrix to the scalar division of matrix m  (*this = m /s).
338	>	* @param s the scalar value
339	>	* @param m the matrix
340	>	*/
341	>	inline void div( Real s, const RectMatrix<Real, Row, Col>& m ) {
342	>	for (unsigned int i = 0; i < Row; i++)
343	>	for (unsigned int j = 0; j < Col; j++)
344	>	this->data_[i][j] = m.data_[i][j] / s;
345	>	}
346
347	<	/**
348	<	*  Multiples a scalar into every element of this matrix.
349	<	* @param s the scalar value
350	<	*/
351	<	RectMatrix<Real, Row, Col>& operator *=(const Real s) {
352	<	this->mul(s);
353	<	return *this;
354	<	}
347	>	/**
348	>	*  Multiples a scalar into every element of this matrix.
349	>	* @param s the scalar value
350	>	*/
351	>	RectMatrix<Real, Row, Col>& operator *=(const Real s) {
352	>	this->mul(s);
353	>	return *this;
354	>	}
355
356	<	/**
357	<	*  Divides every element of this matrix by a scalar.
358	<	* @param s the scalar value
359	<	*/
360	<	RectMatrix<Real, Row, Col>& operator /=(const Real s) {
361	<	this->div(s);
362	<	return *this;
363	<	}
356	>	/**
357	>	*  Divides every element of this matrix by a scalar.
358	>	* @param s the scalar value
359	>	*/
360	>	RectMatrix<Real, Row, Col>& operator /=(const Real s) {
361	>	this->div(s);
362	>	return *this;
363	>	}
364
365	<	/**
366	<	* Sets the value of this matrix to the sum of the other matrix and itself (*this += m).
367	<	* @param m the other matrix
368	<	*/
369	<	RectMatrix<Real, Row, Col>& operator += (const RectMatrix<Real, Row, Col>& m) {
370	<	add(m);
371	<	return *this;
372	<	}
365	>	/**
366	>	* Sets the value of this matrix to the sum of the other matrix and itself (*this += m).
367	>	* @param m the other matrix
368	>	*/
369	>	RectMatrix<Real, Row, Col>& operator += (const RectMatrix<Real, Row, Col>& m) {
370	>	add(m);
371	>	return *this;
372	>	}
373
374	<	/**
375	<	* Sets the value of this matrix to the differerence of itself and the other matrix (*this -= m)
376	<	* @param m the other matrix
377	<	*/
378	<	RectMatrix<Real, Row, Col>& operator -= (const RectMatrix<Real, Row, Col>& m){
379	<	sub(m);
380	<	return *this;
381	<	}
374	>	/**
375	>	* Sets the value of this matrix to the differerence of itself and the other matrix (*this -= m)
376	>	* @param m the other matrix
377	>	*/
378	>	RectMatrix<Real, Row, Col>& operator -= (const RectMatrix<Real, Row, Col>& m){
379	>	sub(m);
380	>	return *this;
381	>	}
382
383	<	/** Return the transpose of this matrix */
384	<	RectMatrix<Real,  Col, Row> transpose() const{
385	<	RectMatrix<Real,  Col, Row> result;
383	>	/** Return the transpose of this matrix */
384	>	RectMatrix<Real,  Col, Row> transpose() const{
385	>	RectMatrix<Real,  Col, Row> result;
386
387	<	for (unsigned int i = 0; i < Row; i++)
388	<	for (unsigned int j = 0; j < Col; j++)
389	<	result(j, i) = this->data_[i][j];
387	>	for (unsigned int i = 0; i < Row; i++)
388	>	for (unsigned int j = 0; j < Col; j++)
389	>	result(j, i) = this->data_[i][j];
390
391	<	return result;
392	<	}
392	<
393	<	protected:
394	<	Real data_[Row][Col];
395	<	};
391	>	return result;
392	>	}
393
394	<	/** Negate the value of every element of this matrix. */
395	<	template<typename Real, unsigned int Row, unsigned int Col>
396	<	inline RectMatrix<Real, Row, Col> operator -(const RectMatrix<Real, Row, Col>& m) {
397	<	RectMatrix<Real, Row, Col> result(m);
394	>	template<class MatrixType>
395	>	void setSubMatrix(unsigned int beginRow, unsigned int beginCol, const MatrixType& m) {
396	>	assert(beginRow + m.getNRow() -1 <= getNRow());
397	>	assert(beginCol + m.getNCol() -1 <= getNCol());
398
399	<	result.negate();
399	>	for (unsigned int i = 0; i < m.getNRow(); ++i)
400	>	for (unsigned int j = 0; j < m.getNCol(); ++j)
401	>	this->data_[beginRow+i][beginCol+j] = m(i, j);
402	>	}
403
404	<	return result;
404	>	template<class MatrixType>
405	>	void getSubMatrix(unsigned int beginRow, unsigned int beginCol, MatrixType& m) {
406	>	assert(beginRow + m.getNRow() -1 <= getNRow());
407	>	assert(beginCol + m.getNCol() - 1 <= getNCol());
408	>
409	>	for (unsigned int i = 0; i < m.getNRow(); ++i)
410	>	for (unsigned int j = 0; j < m.getNCol(); ++j)
411	>	m(i, j) = this->data_[beginRow+i][beginCol+j];
412		}
413
414	<	/**
415	<	* Return the sum of two matrixes  (m1 + m2).
409	<	* @return the sum of two matrixes
410	<	* @param m1 the first matrix
411	<	* @param m2 the second matrix
412	<	*/
413	<	template<typename Real, unsigned int Row, unsigned int Col>
414	<	inline RectMatrix<Real, Row, Col> operator + (const RectMatrix<Real, Row, Col>& m1,const RectMatrix<Real, Row, Col>& m2) {
415	<	RectMatrix<Real, Row, Col> result;
414	>	unsigned int getNRow() const {return Row;}
415	>	unsigned int getNCol() const {return Col;}
416
417	<	result.add(m1, m2);
417	>	protected:
418	>	Real data_[Row][Col];
419	>	};
420
421	<	return result;
422	<	}
421	>	/** Negate the value of every element of this matrix. */
422	>	template<typename Real, unsigned int Row, unsigned int Col>
423	>	inline RectMatrix<Real, Row, Col> operator -(const RectMatrix<Real, Row, Col>& m) {
424	>	RectMatrix<Real, Row, Col> result(m);
425	>
426	>	result.negate();
427	>
428	>	return result;
429	>	}
430
431	<	/**
432	<	* Return the difference of two matrixes  (m1 - m2).
433	<	* @return the sum of two matrixes
434	<	* @param m1 the first matrix
435	<	* @param m2 the second matrix
436	<	*/
437	<	template<typename Real, unsigned int Row, unsigned int Col>
438	<	inline RectMatrix<Real, Row, Col> operator - (const RectMatrix<Real, Row, Col>& m1, const RectMatrix<Real, Row, Col>& m2) {
439	<	RectMatrix<Real, Row, Col> result;
431	>	/**
432	>	* Return the sum of two matrixes  (m1 + m2).
433	>	* @return the sum of two matrixes
434	>	* @param m1 the first matrix
435	>	* @param m2 the second matrix
436	>	*/
437	>	template<typename Real, unsigned int Row, unsigned int Col>
438	>	inline RectMatrix<Real, Row, Col> operator + (const RectMatrix<Real, Row, Col>& m1,const RectMatrix<Real, Row, Col>& m2) {
439	>	RectMatrix<Real, Row, Col> result;
440
441	<	result.sub(m1, m2);
441	>	result.add(m1, m2);
442
443	<	return result;
444	<	}
443	>	return result;
444	>	}
445	>
446	>	/**
447	>	* Return the difference of two matrixes  (m1 - m2).
448	>	* @return the sum of two matrixes
449	>	* @param m1 the first matrix
450	>	* @param m2 the second matrix
451	>	*/
452	>	template<typename Real, unsigned int Row, unsigned int Col>
453	>	inline RectMatrix<Real, Row, Col> operator - (const RectMatrix<Real, Row, Col>& m1, const RectMatrix<Real, Row, Col>& m2) {
454	>	RectMatrix<Real, Row, Col> result;
455
456	<	/**
438	<	* Return the multiplication of scalra and  matrix  (m * s).
439	<	* @return the multiplication of a scalra and  a matrix
440	<	* @param m the matrix
441	<	* @param s the scalar
442	<	*/
443	<	template<typename Real, unsigned int Row, unsigned int Col>
444	<	inline RectMatrix<Real, Row, Col> operator *(const RectMatrix<Real, Row, Col>& m, Real s) {
445	<	RectMatrix<Real, Row, Col> result;
456	>	result.sub(m1, m2);
457
458	<	result.mul(s, m);
458	>	return result;
459	>	}
460
461	<	return result;
462	<	}
461	>	/**
462	>	* Return the multiplication of scalra and  matrix  (m * s).
463	>	* @return the multiplication of a scalra and  a matrix
464	>	* @param m the matrix
465	>	* @param s the scalar
466	>	*/
467	>	template<typename Real, unsigned int Row, unsigned int Col>
468	>	inline RectMatrix<Real, Row, Col> operator *(const RectMatrix<Real, Row, Col>& m, Real s) {
469	>	RectMatrix<Real, Row, Col> result;
470
471	<	/**
453	<	* Return the multiplication of a scalra and  a matrix  (s * m).
454	<	* @return the multiplication of a scalra and  a matrix
455	<	* @param s the scalar
456	<	* @param m the matrix
457	<	*/
458	<	template<typename Real, unsigned int Row, unsigned int Col>
459	<	inline RectMatrix<Real, Row, Col> operator *(Real s, const RectMatrix<Real, Row, Col>& m) {
460	<	RectMatrix<Real, Row, Col> result;
471	>	result.mul(s, m);
472
473	<	result.mul(s, m);
473	>	return result;
474	>	}
475
476	<	return result;
477	<	}
476	>	/**
477	>	* Return the multiplication of a scalra and  a matrix  (s * m).
478	>	* @return the multiplication of a scalra and  a matrix
479	>	* @param s the scalar
480	>	* @param m the matrix
481	>	*/
482	>	template<typename Real, unsigned int Row, unsigned int Col>
483	>	inline RectMatrix<Real, Row, Col> operator *(Real s, const RectMatrix<Real, Row, Col>& m) {
484	>	RectMatrix<Real, Row, Col> result;
485	>
486	>	result.mul(s, m);
487	>
488	>	return result;
489	>	}
490
491	<	/**
492	<	* Return the multiplication of two matrixes  (m1 * m2).
493	<	* @return the multiplication of two matrixes
494	<	* @param m1 the first matrix
495	<	* @param m2 the second matrix
496	<	*/
497	<	template<typename Real, unsigned int Row, unsigned int Col, unsigned int SameDim>
498	<	inline RectMatrix<Real, Row, Col> operator *(const RectMatrix<Real, Row, SameDim>& m1, const RectMatrix<Real, SameDim, Col>& m2) {
499	<	RectMatrix<Real, Row, Col> result;
491	>	/**
492	>	* Return the multiplication of two matrixes  (m1 * m2).
493	>	* @return the multiplication of two matrixes
494	>	* @param m1 the first matrix
495	>	* @param m2 the second matrix
496	>	*/
497	>	template<typename Real, unsigned int Row, unsigned int Col, unsigned int SameDim>
498	>	inline RectMatrix<Real, Row, Col> operator *(const RectMatrix<Real, Row, SameDim>& m1, const RectMatrix<Real, SameDim, Col>& m2) {
499	>	RectMatrix<Real, Row, Col> result;
500
501	<	for (unsigned int i = 0; i < Row; i++)
502	<	for (unsigned int j = 0; j < Col; j++)
503	<	for (unsigned int k = 0; k < SameDim; k++)
504	<	result(i, j)  += m1(i, k) * m2(k, j);
501	>	for (unsigned int i = 0; i < Row; i++)
502	>	for (unsigned int j = 0; j < Col; j++)
503	>	for (unsigned int k = 0; k < SameDim; k++)
504	>	result(i, j)  += m1(i, k) * m2(k, j);
505
506	<	return result;
507	<	}
506	>	return result;
507	>	}
508
509	<	/**
510	<	* Return the multiplication of  a matrix and a vector  (m * v).
511	<	* @return the multiplication of a matrix and a vector
512	<	* @param m the matrix
513	<	* @param v the vector
514	<	*/
515	<	template<typename Real, unsigned int Row, unsigned int Col>
516	<	inline Vector<Real, Row> operator *(const RectMatrix<Real, Row, Col>& m, const Vector<Real, Col>& v) {
517	<	Vector<Real, Row> result;
509	>	/**
510	>	* Returns the multiplication of  a matrix and a vector  (m * v).
511	>	* @return the multiplication of a matrix and a vector
512	>	* @param m the matrix
513	>	* @param v the vector
514	>	*/
515	>	template<typename Real, unsigned int Row, unsigned int Col>
516	>	inline Vector<Real, Row> operator *(const RectMatrix<Real, Row, Col>& m, const Vector<Real, Col>& v) {
517	>	Vector<Real, Row> result;
518
519	<	for (unsigned int i = 0; i < Row ; i++)
520	<	for (unsigned int j = 0; j < Col ; j++)
521	<	result[i] += m(i, j) * v[j];
519	>	for (unsigned int i = 0; i < Row ; i++)
520	>	for (unsigned int j = 0; j < Col ; j++)
521	>	result[i] += m(i, j) * v[j];
522
523	<	return result;
524	<	}
523	>	return result;
524	>	}
525
526	<	/**
527	<	* Return the scalar division of matrix   (m / s).
528	<	* @return the scalar division of matrix
529	<	* @param m the matrix
530	<	* @param s the scalar
531	<	*/
532	<	template<typename Real, unsigned int Row, unsigned int Col>
533	<	inline RectMatrix<Real, Row, Col> operator /(const RectMatrix<Real, Row, Col>& m, Real s) {
534	<	RectMatrix<Real, Row, Col> result;
526	>	/**
527	>	* Returns the multiplication of a vector transpose and a matrix  (v^T * m).
528	>	* @return the multiplication of a vector transpose and a matrix
529	>	* @param v the vector
530	>	* @param m the matrix
531	>	*/
532	>	template<typename Real, unsigned int Row, unsigned int Col>
533	>	inline Vector<Real, Col> operator *(const Vector<Real, Row>& v, const RectMatrix<Real, Row, Col>& m) {
534	>	Vector<Real, Row> result;
535	>
536	>	for (unsigned int i = 0; i < Col ; i++)
537	>	for (unsigned int j = 0; j < Row ; j++)
538	>	result[i] += v[j] * m(j, i);
539	>
540	>	return result;
541	>	}
542
543	<	result.div(s, m);
543	>	/**
544	>	* Return the scalar division of matrix   (m / s).
545	>	* @return the scalar division of matrix
546	>	* @param m the matrix
547	>	* @param s the scalar
548	>	*/
549	>	template<typename Real, unsigned int Row, unsigned int Col>
550	>	inline RectMatrix<Real, Row, Col> operator /(const RectMatrix<Real, Row, Col>& m, Real s) {
551	>	RectMatrix<Real, Row, Col> result;
552
553	<	return result;
515	<	}
553	>	result.div(s, m);
554
555	+	return result;
556	+	}
557	+
558	+
559		/**
560	<	* Write to an output stream
560	>	* Returns the tensor contraction (double dot product) of two rank 2
561	>	* tensors (or Matrices)
562	>	*
563	>	* \f[ \mathbf{A} \colon \! \mathbf{B} = \sum_\alpha \sum_\beta \mathbf{A}_{\alpha \beta} B_{\alpha \beta} \f]
564	>	*
565	>	* @param t1 first tensor
566	>	* @param t2 second tensor
567	>	* @return the tensor contraction (double dot product) of t1 and t2
568		*/
569	<	template<typename Real,  unsigned int Row, unsigned int Col>
570	<	std::ostream &operator<< ( std::ostream& o, const RectMatrix<Real, Row, Col>& m) {
571	<	for (unsigned int i = 0; i < Row ; i++) {
572	<	o << "(";
573	<	for (unsigned int j = 0; j < Col ; j++) {
574	<	o << m(i, j);
575	<	if (j != Col -1)
576	<	o << "\t";
577	<	}
578	<	o << ")" << std::endl;
579	<	}
580	<	return o;
581	<	}
569	>	template<typename Real, unsigned int Row, unsigned int Col>
570	>	inline Real doubleDot( const RectMatrix<Real, Row, Col>& t1,
571	>	const RectMatrix<Real, Row, Col>& t2 ) {
572	>	Real tmp;
573	>	tmp = 0;
574	>
575	>	for (unsigned int i = 0; i < Row; i++)
576	>	for (unsigned int j =0; j < Col; j++)
577	>	tmp += t1(i,j) * t2(i,j);
578	>
579	>	return tmp;
580	>	}
581	>
582	>
583	>
584	>	/**
585	>	* Returns the vector (cross) product of two matrices.  This
586	>	* operation is defined in:
587	>	*
588	>	* W. Smith, "Point Multipoles in the Ewald Summation (Revisited),"
589	>	* CCP5 Newsletter No 46., pp. 18-30.
590	>	*
591	>	* Equation 21 defines:
592	>	* \f[
593	>	* V_alpha = \sum_\beta \left[ A_{\alpha+1,\beta} * B_{\alpha+2,\beta}
594	>	-A_{\alpha+2,\beta} * B_{\alpha+2,\beta} \right]
595	>	* \f]
596	>
597	>	* where \f[\alpha+1\f] and \f[\alpha+2\f] are regarded as cyclic
598	>	* permuations of the matrix indices (i.e. for a 3x3 matrix, when
599	>	* \f[\alpha = 2\f], \f[\alpha + 1 = 3 \f], and \f[\alpha + 2 = 1 \f] ).
600	>	*
601	>	* @param t1 first matrix
602	>	* @param t2 second matrix
603	>	* @return the cross product (vector product) of t1 and t2
604	>	*/
605	>	template<typename Real, unsigned int Row, unsigned int Col>
606	>	inline Vector<Real, Row> mCross( const RectMatrix<Real, Row, Col>& t1,
607	>	const RectMatrix<Real, Row, Col>& t2 ) {
608	>	Vector<Real, Row> result;
609	>	unsigned int i1;
610	>	unsigned int i2;
611	>
612	>	for (unsigned int i = 0; i < Row; i++) {
613	>	i1 = (i+1)%Row;
614	>	i2 = (i+2)%Row;
615	>	for (unsigned int j = 0; j < Col; j++) {
616	>	result[i] += t1(i1,j) * t2(i2,j) - t1(i2,j) * t2(i1,j);
617	>	}
618	>	}
619	>	return result;
620	>	}
621	>
622	>
623	>	/**
624	>	* Write to an output stream
625	>	*/
626	>	template<typename Real,  unsigned int Row, unsigned int Col>
627	>	std::ostream &operator<< ( std::ostream& o, const RectMatrix<Real, Row, Col>& m) {
628	>	for (unsigned int i = 0; i < Row ; i++) {
629	>	o << "(";
630	>	for (unsigned int j = 0; j < Col ; j++) {
631	>	o << m(i, j);
632	>	if (j != Col -1)
633	>	o << "\t";
634	>	}
635	>	o << ")" << std::endl;
636	>	}
637	>	return o;
638	>	}
639		}
640		#endif //MATH_RECTMATRIX_HPP

Comparing trunk/src/math/RectMatrix.hpp (property svn:keywords):
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Revision 1933 by gezelter, Fri Aug 23 15:59:23 2013 UTC

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