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::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;
    }
}

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:	246
Committed:	Wed Jan 12 22:41:40 2005 UTC (20 years, 3 months ago) by gezelter
File size:	3990 byte(s)
Log Message:	merging new_design branch into OOPSE-2.0
#	User	Rev	Content
1	gezelter	246	/*
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	gezelter	2
46	tim	3	#include "brains/Exclude.hpp"
47	gezelter	2
48	gezelter	246	namespace oopse {
49	gezelter	2
50	gezelter	246	int *Exclude::getExcludeList() {
51	gezelter	2
52	gezelter	246	if (modified_) {
53			excludeList_.clear();
54	gezelter	2
55	gezelter	246	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	gezelter	2	}
64
65	gezelter	246	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	gezelter	2	}
72	gezelter	246
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	gezelter	2	}
80
81	gezelter	246	void Exclude::removePair(int i, int j) {
82	gezelter	2
83	gezelter	246	if (i == j) {
84			return;
85			} else if (i > j) {
86			std::swap(i, j);
87	gezelter	2	}
88
89
90	gezelter	246	std::set<std::pair<int, int> >::iterator iter = excludeSet_.find(std::make_pair(i, j));
91
92			if (iter != excludeSet_.end()) {
93			excludeSet_.erase(iter);
94			modified_ = true;
95			}
96	gezelter	2	}
97
98	gezelter	246	bool Exclude::hasPair(int i, int j) {
99	gezelter	2
100	gezelter	246	if (i == j) {
101			return false;
102			} else if (i > j) {
103			std::swap(i, j);
104			}
105	gezelter	2
106	gezelter	246	std::set<std::pair<int, int> >::iterator iter = excludeSet_.find(std::make_pair(i, j));
107			return iter == excludeSet_.end() ? false : true;
108			}
109	gezelter	2
110	gezelter	246	int Exclude::getSize() {
111			return excludeSet_.size();
112	gezelter	2	}
113
114	gezelter	246	std::ostream& operator <<(std::ostream& o, Exclude& e) {
115			std::set<std::pair<int, int> >::iterator i;
116	gezelter	2
117	gezelter	246	int index;
118	gezelter	2
119	gezelter	246	index = 0;
120	gezelter	2
121	gezelter	246	for(i = e.excludeSet_.begin(); i != e.excludeSet_.end(); ++i) {
122			o << "exclude[" << index << "] i, j: " << (*i).first << " - "
123			<< (*i).second << "\n";
124			index++;
125			}
126
127			return o;
128	gezelter	2	}
129
130			}
131	gezelter	246
132