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root/OpenMD/branches/development/src/utils/PropertyMap.cpp
Revision: 1710
Committed: Fri May 18 21:44:02 2012 UTC (12 years, 11 months ago) by gezelter
File size: 4384 byte(s)
Log Message:
Added an adapter layer between the AtomType and the rest of the code to 
handle the bolt-on capabilities of new types. 

Fixed a long-standing bug in how storageLayout was being set to the maximum
possible value.

Started to add infrastructure for Polarizable and fluc-Q calculations.

File Contents

# 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. Redistributions of source code must retain the above copyright
10 * notice, this list of conditions and the following disclaimer.
11 *
12 * 2. Redistributions in binary form must reproduce the above copyright
13 * notice, this list of conditions and the following disclaimer in the
14 * documentation and/or other materials provided with the
15 * distribution.
16 *
17 * This software is provided "AS IS," without a warranty of any
18 * kind. All express or implied conditions, representations and
19 * warranties, including any implied warranty of merchantability,
20 * fitness for a particular purpose or non-infringement, are hereby
21 * excluded. The University of Notre Dame and its licensors shall not
22 * be liable for any damages suffered by licensee as a result of
23 * using, modifying or distributing the software or its
24 * derivatives. In no event will the University of Notre Dame or its
25 * licensors be liable for any lost revenue, profit or data, or for
26 * direct, indirect, special, consequential, incidental or punitive
27 * damages, however caused and regardless of the theory of liability,
28 * arising out of the use of or inability to use software, even if the
29 * University of Notre Dame has been advised of the possibility of
30 * such damages.
31 *
32 * SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
33 * research, please cite the appropriate papers when you publish your
34 * work. Good starting points are:
35 *
36 * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37 * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38 * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39 * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
40 * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41 */
42
43 #include "utils/PropertyMap.hpp"
44 #include <cassert>
45 #include <utility>
46
47 namespace OpenMD {
48
49 PropertyMap::~PropertyMap(){
50 clearProperties();
51 }
52
53
54 void PropertyMap::addProperty(GenericData* genData){
55 std::map<std::string, GenericData*>::iterator iter;
56
57 iter = propMap_.find(genData->getID());
58
59 if (iter == propMap_.end()){
60 propMap_.insert(std::make_pair(genData->getID(), genData));
61 } else {
62 delete iter->second;
63 iter->second = genData;
64 }
65 }
66
67 bool PropertyMap::removeProperty(const std::string& propName){
68 std::map<std::string, GenericData*>::iterator iter;
69
70 iter = propMap_.find(propName);
71
72 if (iter != propMap_.end()){
73 delete iter->second;
74 propMap_.erase(iter);
75 return true;
76 } else {
77 //logger.warn("Can not find property with name: " + propName);
78 return false;
79 }
80 }
81
82 void PropertyMap::clearProperties(){
83 std::map<std::string, GenericData*>::iterator iter;
84
85 for (iter = propMap_.begin(); iter != propMap_.end(); ++iter)
86 delete iter->second;
87
88 propMap_.clear();
89 }
90
91 std::vector<std::string> PropertyMap::getPropertyNames(){
92 std::vector<std::string> propNames;
93 std::map<std::string, GenericData*>::iterator iter;
94
95 for (iter = propMap_.begin(); iter != propMap_.end(); ++iter)
96 propNames.push_back(iter->first);
97
98 return propNames;
99 }
100
101 std::vector<GenericData*> PropertyMap::getProperties(){
102 std::vector<GenericData*> properties;
103 std::map<std::string, GenericData*>::iterator iter;
104
105 for (iter = propMap_.begin(); iter != propMap_.end(); ++iter)
106 properties.push_back(iter->second);
107
108 return properties;
109 }
110
111 bool PropertyMap::hasProperty(const std::string& propName){
112 std::map<std::string, GenericData*>::iterator iter;
113
114 iter = propMap_.find(propName);
115
116 if (iter != propMap_.end())
117 return true;
118 else
119 return false;
120 }
121
122 GenericData* PropertyMap::getPropertyByName(const std::string& propName){
123 std::map<std::string, GenericData*>::iterator iter;
124
125 iter = propMap_.find(propName);
126
127 if (iter != propMap_.end())
128 return iter->second;
129 else
130 return NULL;
131 }
132
133 }//end namespace OpenMD

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