src/utils/TypeContainer.hpp

/*
 * 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.
 */
 
/**
 * @file TypeContainer.hpp
 * @author tlin
 * @date 11/04/2004
 * @time 13:51am
 * @version 1.0
 */

#ifndef UTILS_TYPECONTAINER_HPP
#define UTILS_TYPECONTAINER_HPP
#include <algorithm>
#include <map>
#include <vector>

#include "utils/Utility.hpp"

namespace oopse {

  /**
   * @class TypeContainer TypeContainer.hpp "utils/TypeContainer.hpp"
   */
  template<class ElemType, int SIZE>
  class TypeContainer {
  public:
            
    typedef ElemType* ElemPtr;
    typedef std::vector<std::string> KeyType;
    typedef typename KeyType::iterator KeyTypeIterator;
    typedef std::pair<int, ElemPtr> ValueType;
    typedef typename std::map<KeyType, ValueType> MapType;
    typedef typename std::map<KeyType, ValueType>::iterator MapTypeIterator;
    typedef typename MapType::value_type value_type;
    typedef typename std::vector<int> MutableValues;

    TypeContainer() : index_(0) {}
            
    ~TypeContainer() {
      MapTypeIterator i;
      for (i = data_.begin(); i != data_.end(); ++i) {
        delete (i->second).second;
      }
      data_.clear();
    }
            
    bool add(KeyType& keys, ElemPtr elem) {
      assert(keys.size() == SIZE);
      assert(elem);
      return data_.insert(value_type(keys, std::make_pair(index_++,elem))).second;
    }

    bool replace(KeyType& keys, ElemPtr elem) {
      assert(keys.size() == SIZE);
      assert(elem);     

      MapTypeIterator i;
      i = data_.find(keys);
      if (i!=data_.end()) {
        data_[keys] = std::make_pair((i->second).first, elem);
        return true;
      } else {
        return data_.insert(value_type(keys, std::make_pair(index_++,elem))).second;
      }      
    }

    /** Exact Match */
    ElemPtr find(KeyType& keys) {
      assert(keys.size() == SIZE);
      MapTypeIterator i;
      ValueType foundType;
                
      i = data_.find(keys);
      if (i != data_.end()) {
        return (i->second).second;
      }

      KeyType reversedKeys = keys;
      std::reverse(reversedKeys.begin(), reversedKeys.end());

      i = data_.find(reversedKeys);
      if (i != data_.end()) {
        return (i->second).second;
      } else {
        return NULL;
      }
                
    }

    ElemPtr permutedFindSkippingFirstElement(KeyType& keys) {
      assert(keys.size() == SIZE);
      MapTypeIterator i;
      ValueType foundType;
                
      KeyType permutedKeys = keys;

      // skip the first element:
      KeyTypeIterator start;
      start = permutedKeys.begin();
      start++;

      std::sort(start, permutedKeys.end());

      do {
        i = data_.find(permutedKeys);
        if (i != data_.end()) {
          return (i->second).second;      
        }       
      } while ( std::next_permutation(start, permutedKeys.end()) );

      return NULL;                
    }


    /**
     * @todo 
     */
    ElemPtr find(KeyType& keys, const std::string& wildCard) {
      assert(keys.size() == SIZE);
                
      std::vector<KeyTypeIterator> iterCont;
      KeyType replacedKey;
      MapTypeIterator i;
      std::vector<ValueType> foundTypes;
                
      while (replaceWithWildCard(iterCont, keys, replacedKey, wildCard)) {                    
        i = data_.find(replacedKey);
        if (i != data_.end()) {
          foundTypes.push_back(i->second);
        }
      }

      //reverse the order of keys
      KeyType reversedKeys = keys;
      std::reverse(reversedKeys.begin(), reversedKeys.end());

      //if the reversedKeys is the same as keys, just skip it
      if (reversedKeys != keys) {

                    
        //empty the iterator container
        iterCont.clear();

        while (replaceWithWildCard(iterCont, reversedKeys, replacedKey, wildCard)) {
          i = data_.find(replacedKey);
          if (i != data_.end()) {
            foundTypes.push_back(i->second);
          }
        }

        //replaceWithWildCard can not generate this particular sequence, we have to 
        //do it manually                
        KeyType allWildCards(SIZE, wildCard);
        i = data_.find(replacedKey);
        if (i != data_.end()) {
          foundTypes.push_back(i->second);
        }

      }

      typename std::vector<ValueType>::iterator j;                
      j = std::min_element(foundTypes.begin(), foundTypes.end());

      return j == foundTypes.end() ? NULL : j->second;
    }

    unsigned int size() {
      return data_.size();
    }

    ElemPtr beginType(MapTypeIterator& i) {
      i = data_.begin();
      return i  != data_.end() ? (i->second).second : NULL;
    }

    ElemPtr nextType(MapTypeIterator& i) {
      ++i;
      return i  != data_.end() ? (i->second).second : NULL;
    }
            
  private:
    int index_;
    MapType data_;        
            
  };


}//end namespace oopse

#endif //UTILS_TYPECONTAINER_HPP
Revision:	3460
Committed:	Mon Oct 13 21:35:22 2008 UTC (15 years, 8 months ago) by cli2
File size:	6730 byte(s)
Log Message:	Fixes for Inversions for use with Amber
#	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	gezelter	2204	/**
43			* @file TypeContainer.hpp
44			* @author tlin
45			* @date 11/04/2004
46			* @time 13:51am
47			* @version 1.0
48			*/
49	gezelter	1930
50			#ifndef UTILS_TYPECONTAINER_HPP
51			#define UTILS_TYPECONTAINER_HPP
52			#include <algorithm>
53			#include <map>
54			#include <vector>
55
56			#include "utils/Utility.hpp"
57
58			namespace oopse {
59
60	gezelter	2204	/**
61			* @class TypeContainer TypeContainer.hpp "utils/TypeContainer.hpp"
62			*/
63			template<class ElemType, int SIZE>
64			class TypeContainer {
65			public:
66	gezelter	1930
67	gezelter	2204	typedef ElemType* ElemPtr;
68			typedef std::vector<std::string> KeyType;
69			typedef typename KeyType::iterator KeyTypeIterator;
70			typedef std::pair<int, ElemPtr> ValueType;
71			typedef typename std::map<KeyType, ValueType> MapType;
72			typedef typename std::map<KeyType, ValueType>::iterator MapTypeIterator;
73			typedef typename MapType::value_type value_type;
74	cli2	3460	typedef typename std::vector<int> MutableValues;
75	gezelter	1930
76	gezelter	2204	TypeContainer() : index_(0) {}
77	gezelter	1930
78	gezelter	2204	~TypeContainer() {
79			MapTypeIterator i;
80			for (i = data_.begin(); i != data_.end(); ++i) {
81			delete (i->second).second;
82			}
83			data_.clear();
84			}
85	gezelter	1930
86	gezelter	2204	bool add(KeyType& keys, ElemPtr elem) {
87			assert(keys.size() == SIZE);
88			assert(elem);
89			return data_.insert(value_type(keys, std::make_pair(index_++,elem))).second;
90			}
91	gezelter	1930
92	gezelter	3437	bool replace(KeyType& keys, ElemPtr elem) {
93			assert(keys.size() == SIZE);
94			assert(elem);
95
96			MapTypeIterator i;
97			i = data_.find(keys);
98			if (i!=data_.end()) {
99			data_[keys] = std::make_pair((i->second).first, elem);
100			return true;
101			} else {
102			return data_.insert(value_type(keys, std::make_pair(index_++,elem))).second;
103			}
104			}
105
106	gezelter	2204	/** Exact Match */
107			ElemPtr find(KeyType& keys) {
108			assert(keys.size() == SIZE);
109			MapTypeIterator i;
110			ValueType foundType;
111	gezelter	1930
112	gezelter	2204	i = data_.find(keys);
113			if (i != data_.end()) {
114			return (i->second).second;
115			}
116	gezelter	1930
117	gezelter	2204	KeyType reversedKeys = keys;
118			std::reverse(reversedKeys.begin(), reversedKeys.end());
119	gezelter	1930
120	gezelter	2204	i = data_.find(reversedKeys);
121			if (i != data_.end()) {
122			return (i->second).second;
123			} else {
124			return NULL;
125			}
126	gezelter	1930
127	gezelter	2204	}
128	gezelter	1930
129	cli2	3460	ElemPtr permutedFindSkippingFirstElement(KeyType& keys) {
130			assert(keys.size() == SIZE);
131			MapTypeIterator i;
132			ValueType foundType;
133
134			KeyType permutedKeys = keys;
135
136			// skip the first element:
137			KeyTypeIterator start;
138			start = permutedKeys.begin();
139			start++;
140
141			std::sort(start, permutedKeys.end());
142
143			do {
144			i = data_.find(permutedKeys);
145			if (i != data_.end()) {
146			return (i->second).second;
147			}
148			} while ( std::next_permutation(start, permutedKeys.end()) );
149
150			return NULL;
151			}
152
153
154	gezelter	2204	/**
155			* @todo
156			*/
157			ElemPtr find(KeyType& keys, const std::string& wildCard) {
158			assert(keys.size() == SIZE);
159	gezelter	1930
160	gezelter	2204	std::vector<KeyTypeIterator> iterCont;
161			KeyType replacedKey;
162			MapTypeIterator i;
163			std::vector<ValueType> foundTypes;
164	gezelter	1930
165	gezelter	2204	while (replaceWithWildCard(iterCont, keys, replacedKey, wildCard)) {
166			i = data_.find(replacedKey);
167			if (i != data_.end()) {
168			foundTypes.push_back(i->second);
169			}
170			}
171	gezelter	1930
172	gezelter	2204	//reverse the order of keys
173			KeyType reversedKeys = keys;
174			std::reverse(reversedKeys.begin(), reversedKeys.end());
175	gezelter	1930
176	gezelter	2204	//if the reversedKeys is the same as keys, just skip it
177			if (reversedKeys != keys) {
178	gezelter	1930
179
180	gezelter	2204	//empty the iterator container
181			iterCont.clear();
182	gezelter	1930
183	gezelter	2204	while (replaceWithWildCard(iterCont, reversedKeys, replacedKey, wildCard)) {
184			i = data_.find(replacedKey);
185			if (i != data_.end()) {
186			foundTypes.push_back(i->second);
187			}
188			}
189	gezelter	1930
190	gezelter	2204	//replaceWithWildCard can not generate this particular sequence, we have to
191			//do it manually
192			KeyType allWildCards(SIZE, wildCard);
193			i = data_.find(replacedKey);
194			if (i != data_.end()) {
195			foundTypes.push_back(i->second);
196			}
197	gezelter	1930
198	gezelter	2204	}
199	gezelter	1930
200	gezelter	2204	typename std::vector<ValueType>::iterator j;
201			j = std::min_element(foundTypes.begin(), foundTypes.end());
202	gezelter	1930
203	gezelter	2204	return j == foundTypes.end() ? NULL : j->second;
204			}
205	gezelter	1930
206	gezelter	2204	unsigned int size() {
207			return data_.size();
208			}
209	gezelter	1930
210	gezelter	2204	ElemPtr beginType(MapTypeIterator& i) {
211			i = data_.begin();
212			return i != data_.end() ? (i->second).second : NULL;
213			}
214	gezelter	1930
215	gezelter	2204	ElemPtr nextType(MapTypeIterator& i) {
216			++i;
217			return i != data_.end() ? (i->second).second : NULL;
218			}
219	gezelter	1930
220	gezelter	2204	private:
221			int index_;
222			MapType data_;
223	gezelter	1930
224	gezelter	2204	};
225	gezelter	1930
226
227			}//end namespace oopse
228
229			#endif //UTILS_TYPECONTAINER_HPP