src/brains/Exclude.cpp

/*
 * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
 *
 * The University of Notre Dame grants you ("Licensee") a
 * non-exclusive, royalty free, license to use, modify and
 * redistribute this software in source and binary code form, provided
 * that the following conditions are met:
 *
 * 1. Acknowledgement of the program authors must be made in any
 *    publication of scientific results based in part on use of the
 *    program.  An acceptable form of acknowledgement is citation of
 *    the article in which the program was described (Matthew
 *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
 *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
 *    Parallel Simulation Engine for Molecular Dynamics,"
 *    J. Comput. Chem. 26, pp. 252-271 (2005))
 *
 * 2. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 3. Redistributions in binary form must reproduce the above copyright
 *    notice, this list of conditions and the following disclaimer in the
 *    documentation and/or other materials provided with the
 *    distribution.
 *
 * This software is provided "AS IS," without a warranty of any
 * kind. All express or implied conditions, representations and
 * warranties, including any implied warranty of merchantability,
 * fitness for a particular purpose or non-infringement, are hereby
 * excluded.  The University of Notre Dame and its licensors shall not
 * be liable for any damages suffered by licensee as a result of
 * using, modifying or distributing the software or its
 * derivatives. In no event will the University of Notre Dame or its
 * licensors be liable for any lost revenue, profit or data, or for
 * direct, indirect, special, consequential, incidental or punitive
 * damages, however caused and regardless of the theory of liability,
 * arising out of the use of or inability to use software, even if the
 * University of Notre Dame has been advised of the possibility of
 * such damages.
 */
 
#include <functional>
#include <iterator>
#include <utility>

#include "brains/Exclude.hpp"

namespace oopse {

  int *Exclude::getExcludeList() {

    if (modified_) {
      excludeList_.clear();

      for (std::set<std::pair<int,int> >::iterator i = excludeSet_.begin();i != excludeSet_.end(); ++i) {
        excludeList_.push_back(i->first + 1);
        excludeList_.push_back(i->second + 1);            
      }
      modified_ = false;
    } 

    return excludeList_.size() > 0 ? &(excludeList_[0]) : NULL;    
  }

  void Exclude::addPair(int i, int j) {

    if (i == j) {
      return;
    } else if (i > j) {
      std::swap(i, j);
    }

    std::set<std::pair<int, int> >::iterator iter = excludeSet_.find(std::make_pair(i, j));

    if (iter == excludeSet_.end()) {
      excludeSet_.insert(std::make_pair(i, j));
      modified_ = true;
    }
  }

void Exclude::addPairs(std::set<int>& set1, std::set<int>& set2) {
    for (std::set<int>::iterator iter1 = set1.begin(); iter1 !=  set1.end(); ++ iter1) {
        for(std::set<int>::iterator iter2 = set2.begin(); iter2 != set2.end(); ++ iter2) {
            this->addPair(*iter1, * iter2);
        }
    }    
}

template<typename IterType1, typename IterType2>
void Exclude::addPairs(IterType1 iter1_first, IterType1 iter1_last, IterType2 iter2_first, IterType2 iter2_last) {
    for (IterType1 iter1 = iter1_first; iter1 != iter1_last; ++ iter1) {
        for(IterType2 iter2 = iter2_first; iter2 != iter2_last; ++ iter2) {
            this->addPair(*iter1, * iter2);
        }
    }
}

  void Exclude::removePair(int i, int j) {

    if (i == j) {
      return;
    } else if (i > j) {
      std::swap(i, j);
    }


    std::set<std::pair<int, int> >::iterator iter = excludeSet_.find(std::make_pair(i, j));

    if (iter != excludeSet_.end()) {
      excludeSet_.erase(iter);
      modified_ = true;
    }
  }

void Exclude::removePairs(std::set<int>& set1, std::set<int>& set2) {
    for (std::set<int>::iterator iter1 = set1.begin(); iter1 !=  set1.end(); ++ iter1) {
        for(std::set<int>::iterator iter2 = set2.begin(); iter2 != set2.end(); ++ iter2) {
            this->removePair(*iter1, * iter2);
        }
    }    
}

template<typename IterType1, typename IterType2>
void Exclude::removePairs(IterType1 iter1_first, IterType1 iter1_last, IterType2 iter2_first, IterType2 iter2_last) {
    for (IterType1 iter1 = iter1_first; iter1 != iter1_last; ++ iter1) {
        for(IterType2 iter2 = iter2_first; iter2 != iter2_last; ++ iter2) {
            this->removePair(*iter1, * iter2);
        }
    }
}

  bool Exclude::hasPair(int i, int j) {

    if (i == j) {
      return false;
    } else if (i > j) {
      std::swap(i, j);
    }

    std::set<std::pair<int, int> >::iterator  iter = excludeSet_.find(std::make_pair(i, j));
    return iter == excludeSet_.end() ? false : true; 
  }

  int Exclude::getSize() {
    return excludeSet_.size();
  }

  std::ostream& operator <<(std::ostream& o, Exclude& e) {
    std::set<std::pair<int, int> >::iterator i;

    int index;

    index = 0;

    for(i = e.excludeSet_.begin(); i != e.excludeSet_.end(); ++i) {
      o << "exclude[" << index << "] i, j: " << (*i).first << " - "
        << (*i).second << "\n";
      index++;
    }

    return o;
  }

}

  
Revision:	749
Committed:	Wed Nov 16 23:10:02 2005 UTC (19 years, 11 months ago) by tim
File size:	5340 byte(s)
Log Message:	OptionSectionParser get compiled
#	Content
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
42	#include <functional>
43	#include <iterator>
44	#include <utility>
45
46	#include "brains/Exclude.hpp"
47
48	namespace oopse {
49
50	int *Exclude::getExcludeList() {
51
52	if (modified_) {
53	excludeList_.clear();
54
55	for (std::set<std::pair<int,int> >::iterator i = excludeSet_.begin();i != excludeSet_.end(); ++i) {
56	excludeList_.push_back(i->first + 1);
57	excludeList_.push_back(i->second + 1);
58	}
59	modified_ = false;
60	}
61
62	return excludeList_.size() > 0 ? &(excludeList_[0]) : NULL;
63	}
64
65	void Exclude::addPair(int i, int j) {
66
67	if (i == j) {
68	return;
69	} else if (i > j) {
70	std::swap(i, j);
71	}
72
73	std::set<std::pair<int, int> >::iterator iter = excludeSet_.find(std::make_pair(i, j));
74
75	if (iter == excludeSet_.end()) {
76	excludeSet_.insert(std::make_pair(i, j));
77	modified_ = true;
78	}
79	}
80
81	void Exclude::addPairs(std::set<int>& set1, std::set<int>& set2) {
82	for (std::set<int>::iterator iter1 = set1.begin(); iter1 != set1.end(); ++ iter1) {
83	for(std::set<int>::iterator iter2 = set2.begin(); iter2 != set2.end(); ++ iter2) {
84	this->addPair(iter1, iter2);
85	}
86	}
87	}
88
89	template<typename IterType1, typename IterType2>
90	void Exclude::addPairs(IterType1 iter1_first, IterType1 iter1_last, IterType2 iter2_first, IterType2 iter2_last) {
91	for (IterType1 iter1 = iter1_first; iter1 != iter1_last; ++ iter1) {
92	for(IterType2 iter2 = iter2_first; iter2 != iter2_last; ++ iter2) {
93	this->addPair(iter1, iter2);
94	}
95	}
96	}
97
98	void Exclude::removePair(int i, int j) {
99
100	if (i == j) {
101	return;
102	} else if (i > j) {
103	std::swap(i, j);
104	}
105
106
107	std::set<std::pair<int, int> >::iterator iter = excludeSet_.find(std::make_pair(i, j));
108
109	if (iter != excludeSet_.end()) {
110	excludeSet_.erase(iter);
111	modified_ = true;
112	}
113	}
114
115	void Exclude::removePairs(std::set<int>& set1, std::set<int>& set2) {
116	for (std::set<int>::iterator iter1 = set1.begin(); iter1 != set1.end(); ++ iter1) {
117	for(std::set<int>::iterator iter2 = set2.begin(); iter2 != set2.end(); ++ iter2) {
118	this->removePair(iter1, iter2);
119	}
120	}
121	}
122
123	template<typename IterType1, typename IterType2>
124	void Exclude::removePairs(IterType1 iter1_first, IterType1 iter1_last, IterType2 iter2_first, IterType2 iter2_last) {
125	for (IterType1 iter1 = iter1_first; iter1 != iter1_last; ++ iter1) {
126	for(IterType2 iter2 = iter2_first; iter2 != iter2_last; ++ iter2) {
127	this->removePair(iter1, iter2);
128	}
129	}
130	}
131
132	bool Exclude::hasPair(int i, int j) {
133
134	if (i == j) {
135	return false;
136	} else if (i > j) {
137	std::swap(i, j);
138	}
139
140	std::set<std::pair<int, int> >::iterator iter = excludeSet_.find(std::make_pair(i, j));
141	return iter == excludeSet_.end() ? false : true;
142	}
143
144	int Exclude::getSize() {
145	return excludeSet_.size();
146	}
147
148	std::ostream& operator <<(std::ostream& o, Exclude& e) {
149	std::set<std::pair<int, int> >::iterator i;
150
151	int index;
152
153	index = 0;
154
155	for(i = e.excludeSet_.begin(); i != e.excludeSet_.end(); ++i) {
156	o << "exclude[" << index << "] i, j: " << (*i).first << " - "
157	<< (*i).second << "\n";
158	index++;
159	}
160
161	return o;
162	}
163
164	}
165
166