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:	2448
Committed:	Wed Nov 16 23:10:02 2005 UTC (18 years, 7 months ago) by tim
File size:	5340 byte(s)
Log Message:	OptionSectionParser get compiled
#	User	Rev	Content
1	gezelter	2204	/*
2	gezelter	1930	* 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	gezelter	1490
46	tim	1492	#include "brains/Exclude.hpp"
47	gezelter	1490
48	gezelter	1930	namespace oopse {
49	gezelter	1490
50	gezelter	2204	int *Exclude::getExcludeList() {
51	gezelter	1490
52	gezelter	1930	if (modified_) {
53	gezelter	2204	excludeList_.clear();
54	gezelter	1490
55	gezelter	2204	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	gezelter	1930	}
61
62			return excludeList_.size() > 0 ? &(excludeList_[0]) : NULL;
63	gezelter	2204	}
64	gezelter	1490
65	gezelter	2204	void Exclude::addPair(int i, int j) {
66	gezelter	1930
67			if (i == j) {
68	gezelter	2204	return;
69	gezelter	1930	} else if (i > j) {
70	gezelter	2204	std::swap(i, j);
71	gezelter	1490	}
72	gezelter	1930
73			std::set<std::pair<int, int> >::iterator iter = excludeSet_.find(std::make_pair(i, j));
74
75			if (iter == excludeSet_.end()) {
76	gezelter	2204	excludeSet_.insert(std::make_pair(i, j));
77			modified_ = true;
78	gezelter	1930	}
79	gezelter	2204	}
80	gezelter	1490
81	tim	2448	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	gezelter	2204	void Exclude::removePair(int i, int j) {
99	gezelter	1490
100	gezelter	1930	if (i == j) {
101	gezelter	2204	return;
102	gezelter	1930	} else if (i > j) {
103	gezelter	2204	std::swap(i, j);
104	gezelter	1490	}
105
106
107	gezelter	1930	std::set<std::pair<int, int> >::iterator iter = excludeSet_.find(std::make_pair(i, j));
108
109			if (iter != excludeSet_.end()) {
110	gezelter	2204	excludeSet_.erase(iter);
111			modified_ = true;
112	gezelter	1930	}
113	gezelter	2204	}
114	gezelter	1490
115	tim	2448	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	gezelter	2204	bool Exclude::hasPair(int i, int j) {
133	gezelter	1490
134	gezelter	1930	if (i == j) {
135	gezelter	2204	return false;
136	gezelter	1930	} else if (i > j) {
137	gezelter	2204	std::swap(i, j);
138	gezelter	1930	}
139	gezelter	1490
140	gezelter	1930	std::set<std::pair<int, int> >::iterator iter = excludeSet_.find(std::make_pair(i, j));
141			return iter == excludeSet_.end() ? false : true;
142	gezelter	2204	}
143	gezelter	1490
144	gezelter	2204	int Exclude::getSize() {
145	gezelter	1930	return excludeSet_.size();
146	gezelter	2204	}
147	gezelter	1490
148	gezelter	2204	std::ostream& operator <<(std::ostream& o, Exclude& e) {
149	gezelter	1930	std::set<std::pair<int, int> >::iterator i;
150	gezelter	1490
151	gezelter	1930	int index;
152	gezelter	1490
153	gezelter	1930	index = 0;
154	gezelter	1490
155	gezelter	1930	for(i = e.excludeSet_.begin(); i != e.excludeSet_.end(); ++i) {
156	gezelter	2204	o << "exclude[" << index << "] i, j: " << (*i).first << " - "
157			<< (*i).second << "\n";
158			index++;
159	gezelter	1930	}
160
161			return o;
162	gezelter	2204	}
163	gezelter	1490
164			}
165	gezelter	1930
166