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root/OpenMD/trunk/src/math/RectMatrix.hpp
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Comparing trunk/src/math/RectMatrix.hpp (file contents):
Revision 137 by tim, Thu Oct 21 21:31:39 2004 UTC vs.
Revision 246 by gezelter, Wed Jan 12 22:41:40 2005 UTC

# Line 1 | Line 1
1 < /*
2 < * Copyright (C) 2000-2004  Object Oriented Parallel Simulation Engine (OOPSE) project
3 < *
4 < * Contact: oopse@oopse.org
5 < *
6 < * This program is free software; you can redistribute it and/or
7 < * modify it under the terms of the GNU Lesser General Public License
8 < * as published by the Free Software Foundation; either version 2.1
9 < * of the License, or (at your option) any later version.
10 < * All we ask is that proper credit is given for our work, which includes
11 < * - but is not limited to - adding the above copyright notice to the beginning
12 < * of your source code files, and to any copyright notice that you may distribute
13 < * with programs based on this work.
14 < *
15 < * This program is distributed in the hope that it will be useful,
16 < * but WITHOUT ANY WARRANTY; without even the implied warranty of
17 < * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
18 < * GNU Lesser General Public License for more details.
19 < *
20 < * You should have received a copy of the GNU Lesser General Public License
21 < * along with this program; if not, write to the Free Software
22 < * Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA  02111-1307, USA.
1 > /*
2 > * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3   *
4 + * The University of Notre Dame grants you ("Licensee") a
5 + * non-exclusive, royalty free, license to use, modify and
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
19 + *    notice, this list of conditions and the following disclaimer.
20 + *
21 + * 3. Redistributions in binary form must reproduce the above copyright
22 + *    notice, this list of conditions and the following disclaimer in the
23 + *    documentation and/or other materials provided with the
24 + *    distribution.
25 + *
26 + * This software is provided "AS IS," without a warranty of any
27 + * kind. All express or implied conditions, representations and
28 + * warranties, including any implied warranty of merchantability,
29 + * fitness for a particular purpose or non-infringement, are hereby
30 + * excluded.  The University of Notre Dame and its licensors shall not
31 + * be liable for any damages suffered by licensee as a result of
32 + * using, modifying or distributing the software or its
33 + * derivatives. In no event will the University of Notre Dame or its
34 + * licensors be liable for any lost revenue, profit or data, or for
35 + * direct, indirect, special, consequential, incidental or punitive
36 + * damages, however caused and regardless of the theory of liability,
37 + * arising out of the use of or inability to use software, even if the
38 + * University of Notre Dame has been advised of the possibility of
39 + * such damages.
40   */
41 <
26 <
41 >
42   /**
43   * @file RectMatrix.hpp
44   * @author Teng Lin
# Line 63 | Line 78 | namespace oopse {
78                          data_[i][j] = s;
79              }
80  
81 +            RectMatrix(Real* array) {
82 +                for (unsigned int i = 0; i < Row; i++)
83 +                    for (unsigned int j = 0; j < Col; j++)
84 +                        data_[i][j] = array[i * Row + j];
85 +            }
86 +
87              /** copy constructor */
88              RectMatrix(const RectMatrix<Real, Row, Col>& m) {
89                  *this = m;
# Line 86 | Line 107 | namespace oopse {
107               * Return the reference of a single element of this matrix.
108               * @return the reference of a single element of this matrix
109               * @param i row index
110 <             * @param j colum index
110 >             * @param j Column index
111               */
112              Real& operator()(unsigned int i, unsigned int j) {
113                  //assert( i < Row && j < Col);
# Line 97 | Line 118 | namespace oopse {
118               * Return the value of a single element of this matrix.
119               * @return the value of a single element of this matrix
120               * @param i row index
121 <             * @param j colum index
121 >             * @param j Column index
122               */        
123              Real operator()(unsigned int i, unsigned int j) const  {
124                  
125                  return data_[i][j];  
126 +            }
127 +
128 +            /**
129 +             * Copy the internal data to an array
130 +             * @param array the pointer of destination array
131 +             */
132 +            void getArray(Real* array) {
133 +                for (unsigned int i = 0; i < Row; i++) {
134 +                    for (unsigned int j = 0; j < Col; j++) {
135 +                        array[i * Row + j] = data_[i][j];
136 +                    }
137 +                }
138              }
139  
140 +
141              /** Returns the pointer of internal array */
142              Real* getArrayPointer() {
143                  return &data_[0][0];
# Line 139 | Line 173 | namespace oopse {
173               * @return a column of  this matrix as a vector
174               * @param col the column index
175               */                
176 <            Vector<Real, Col> getColum(unsigned int col) {
176 >            Vector<Real, Col> getColumn(unsigned int col) {
177                  Vector<Real, Col> v;
178  
179                  for (unsigned int j = 0; j < Col; j++)
# Line 153 | Line 187 | namespace oopse {
187               * @param col the column index
188               * @param v the vector to be set
189               */                
190 <             void setColum(unsigned int col, const Vector<Real, Col>& v){
190 >             void setColumn(unsigned int col, const Vector<Real, Col>& v){
191  
192                  for (unsigned int j = 0; j < Col; j++)
193                      data_[j][col] = v[j];
# Line 172 | Line 206 | namespace oopse {
206              }
207  
208             /**
209 <             * swap two colums of this matrix
210 <             * @param i the first colum
211 <             * @param j the second colum
209 >             * swap two Columns of this matrix
210 >             * @param i the first Column
211 >             * @param j the second Column
212               */
213 <            void swapColum(unsigned int i, unsigned int j){
213 >            void swapColumn(unsigned int i, unsigned int j){
214                      assert(i < Col && j < Col);
215                      
216                      for (unsigned int k = 0; k < Row; k++)
# Line 346 | Line 380 | namespace oopse {
380              }
381  
382              /** Return the transpose of this matrix */
383 <            RectMatrix<Real,  Col, Row> transpose(){
383 >            RectMatrix<Real,  Col, Row> transpose() const{
384                  RectMatrix<Real,  Col, Row> result;
385                  
386                  for (unsigned int i = 0; i < Row; i++)

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