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root/group/trunk/OOPSE-2.0/src/utils/next_combination.hpp
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Comparing trunk/OOPSE-2.0/src/utils/next_combination.hpp (file contents):
Revision 1678 by tim, Thu Oct 28 21:11:12 2004 UTC vs.
Revision 1930 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 <
41 >
42   /**
43 < * @file GenerateCombination.hpp
43 > * @file next_combination.hpp
44   * @author    tlin
45   * @date  10/27/2004
46   * @version 1.0
# Line 39 | Line 55 | namespace oopse {
55   namespace oopse {
56  
57   /**
42 * @fn bool next_combination(IteratorContainer<RandomAccessIterator>& iterContainer,
43 *                                           RandomAccessIterator first, RandomAccessIterator last)
58   * @brief STL next_permuationtation like combination sequence generator.
59   * Given the first and last iterator of a sequence, next_combination iteratively generates all
60 < * possible combination.
60 > * possible combinations.
61   * @return if more combination is availiable, otherwise return false
62   * @param iterContainer iterator container
63   * @param first the first iterator
# Line 66 | Line 80 | namespace oopse {
80   * //1
81   * //8
82   * //1  8
83 + * @endcode
84   */
85   template<class RandomAccessIterator, template<typename ELEM, typename = std::allocator<ELEM> > class IteratorContainer>
86   bool next_combination(IteratorContainer<RandomAccessIterator>& iterContainer, RandomAccessIterator first, RandomAccessIterator last) {
# Line 81 | Line 96 | bool next_combination(IteratorContainer<RandomAccessIt
96          iterContainer.insert(iterContainer.end(), first);
97          return true;
98      } else if (*(--i) != endIter){
99 <        //if the last iterator in iterContainer does not reaches the end, just increment it
99 >        //if the last iterator in iterContainer does not reaches the end, just increase its iterator by 1
100          ++(*i);
101          return true;
102      } else {// the last iterator in iterContainer does not reaches the end
103  
104          //starts at the end of the sequence and works its way towards the front, looking for two
105          //consecutive members of the sequence where the difference between them is greater
106 <        //than one. For example , if the sequence contains 1, 5, 8, 9 (total number is 10, begin
107 <        //index is 0, therefore 9 is the end index, and the current size is 4). At the end of while
106 >        //than one. For example , if the sequence contains 1, 5, 8, 9 (total number is 10, first is 0
107 >        //and the last is 10 (due to STL's half open range)). At the end of while
108          //loop, j will point to 5, and i will point to 8, next combination should be 1, 6, 7, 8.
109          //If j is less than zero, it means it already reaches the last combination of current size.
110          //For instance, sequence may contain 6, 7, 8, 9 at this time, we need to increase the size
# Line 131 | Line 146 | bool next_combination(IteratorContainer<RandomAccessIt
146      }
147   } //end next_combination
148  
134 /**
135 * @fn bool replaceWildCard(std::vector<std::vector<std::string>::iterator>& cont,
136 *                                        std::vector<std::string>& sequence, std::vector<std::string>& result,
137 *                                        const std::string& wildCard)
138 * @brief iteratively replace the sequence with wild cards
139 * @return true if more combination sequence is avaliable, otherwise return true
140 * @param cont iterator container, if expect whole series of combination, just pass an empty iterator
141 * container. The user should not modify the iterator container
142 * @param sequence the whole sequence used to generate combination
143 * @param result a possible combination sequence which is set on return
144 * @wildCard the wild card string. Its value is "X" by default
145 * @note since next_combination never returns an empty sequence, replaceWildCard will not generate
146 * one special combination, which is n identical wild cards (n is equal to the size of the passing sequence)
147 *
148 * @code
149 * std::vector<std::string> sv;
150 * std::vector<std::vector<std::string>::iterator> sic;
151 * std::vector<std::string> resultString;
152 * sv.push_back("H");
153 * sv.push_back("C");
154 * sv.push_back("N");
155
156 * while (replaceWildCard(sic, sv, resultString)) {  
157 *     for(std::vector<std::string>::iterator i = resultString.begin(); i != resultString.end(); ++i) {
158 *         std::cout << *i << "\t";
159 *     }
160 *     std::cout << std::endl;
161 * }
162 * //output
163 * //H X X
164 * //X C X
165 * //X X N
166 * //H C X
167 * //H X N
168 * //X C N
169 * //H C N
170 @endcode
171 */
172 bool replaceWildCard(std::vector<std::vector<std::string>::iterator>& cont,
173                                             std::vector<std::string>& sequence, std::vector<std::string>& result,
174                                             const std::string& wildCard = "X") {
175    if (cont.size() > sequence.size()) {
176        std::cerr << "the size of iterator container is greater than the size of sequence";
177    }
178
179    bool hasMoreCombination = next_combination(cont, sequence.begin(), sequence.end());
180    if (hasMoreCombination) {
181        result.clear();
182        result.insert(result.begin(), sequence.size(), wildCard);
183        std::vector<std::vector<std::string>::iterator>::iterator i;
184        for ( i = cont.begin(); i != cont.end(); i++){
185            result[*i - sequence.begin()] = **i;
186        }
187    }
188
189     return hasMoreCombination;
190    
191 }
192
149   } //end namespace oopse
150   #endif //UTILS_NEXT_COMBINATION_HPP
151  

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