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root/OpenMD/branches/development/src/utils/PropertyMap.hpp
Revision: 1710
Committed: Fri May 18 21:44:02 2012 UTC (12 years, 11 months ago) by gezelter
File size: 4745 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 /**
44 * @file PropertyMap.hpp
45 * @author tlin
46 * @date 09/21/2004
47 * @time 9:20am
48 * @version 1.0
49 */
50
51 #ifndef UTIL_PROPERTYMAP_HPP
52 #define UTIL_PROPERTYMAP_HPP
53
54 #include <map>
55 #include <string>
56 #include <vector>
57
58 #include <utils/GenericData.hpp>
59
60 namespace OpenMD{
61
62 /**
63 * @class PropertyMap
64 * PropertyMap class maintains a list of GenericData. Type of Property is actually GenericData.
65 */
66 class PropertyMap{
67 public:
68
69 /** trivial constructor */
70 PropertyMap() {}
71
72 /**
73 * Virtual Destructor responsible for deleting all of the generc data in PropertyMap
74 */
75 virtual ~PropertyMap();
76
77 /**
78 * Adds property into property map
79 *
80 * @param genData GenericData to be added into PropertyMap
81 *
82 * @see #removeProperty
83 * @see #clearProperties
84 */
85 void addProperty(GenericData* genData);
86
87 /**
88 * Removes property from PropertyMap by name
89 *
90 * @param propName the name of property to be removed
91 *
92 * @see #addProperty
93 * @see #clearProperties
94 */
95 bool removeProperty(const std::string& propName);
96
97 /**
98 * clear all of the properties
99 *
100 * @see #addProperty
101 * @see #removeProperty
102 */
103 void clearProperties();
104
105 /**
106 * Returns all names of properties
107 *
108 * @return all names of properties
109 */
110 std::vector<std::string> getPropertyNames();
111
112 /**
113 * Returns all of the properties in PropertyMap
114 *
115 * @return all of the properties in PropertyMap
116 *
117 * @see #getPropertyByName
118 */
119 std::vector<GenericData*> getProperties();
120
121 /**
122 * Checks if property is in this PropertyMap
123 *
124 * @param propName name of property
125 *
126 * @return boolean
127 *
128 * @see #getProperties, #getPropertyByName
129 */
130 bool hasProperty(const std::string& propName);
131
132 /**
133 * Returns property
134 *
135 * @param propName name of property
136 *
137 * @return a pointer point to property with propName. If no property named propName
138 * exists, return NULL
139 *
140 * @see #getProperties
141 */
142 GenericData* getPropertyByName(const std::string& propName);
143 //template<typename T = GenericData*> T getPropertyByName(std:std::string& propName);
144
145 protected:
146 std::map<std::string, GenericData*> propMap_;
147
148 private:
149
150 /** prevent copy constructing */
151 PropertyMap(const PropertyMap&);
152
153 /** prevent copy assignment */
154 PropertyMap& operator=(const PropertyMap&);
155 };
156
157 }// namespace OpenMD
158
159 #endif //UTIL_PROPERTYMAP_HPP

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