OpenMD 3.0
Molecular Dynamics in the Open
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PropertyMap.hpp
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35 * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
36 * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
37 * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
38 * [4] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
39 * [5] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012).
40 * [6] Lamichhane, Gezelter & Newman, J. Chem. Phys. 141, 134109 (2014).
41 * [7] Lamichhane, Newman & Gezelter, J. Chem. Phys. 141, 134110 (2014).
42 * [8] Bhattarai, Newman & Gezelter, Phys. Rev. B 99, 094106 (2019).
43 */
44
45/**
46 * @file PropertyMap.hpp
47 * @author tlin
48 * @date 09/21/2004
49 * @version 1.0
50 */
51
52#ifndef UTIL_PROPERTYMAP_HPP
53#define UTIL_PROPERTYMAP_HPP
54
55#include <map>
56#include <memory>
57#include <string>
58#include <vector>
59
60#include <utils/GenericData.hpp>
61
62namespace OpenMD {
63
64 /**
65 * @class PropertyMap
66 * PropertyMap class maintains a list of GenericData. Type of Property is
67 * actually GenericData.
68 */
70 public:
71 /** trivial constructor */
73
74 /**
75 * Virtual Destructor responsible for deleting all of the generc data in
76 * PropertyMap
77 */
78 virtual ~PropertyMap() = default;
79
80 /**
81 * Adds property into property map
82 *
83 * @param genData GenericData to be added into PropertyMap
84 *
85 * @see #removeProperty
86 * @see #clearProperties
87 */
88 void addProperty(std::shared_ptr<GenericData> genData);
89
90 /**
91 * Removes property from PropertyMap by name
92 *
93 * @param propName the name of property to be removed
94 *
95 * @see #addProperty
96 * @see #clearProperties
97 */
98 bool removeProperty(const std::string& propName);
99
100 /**
101 * Returns all names of properties
102 *
103 * @return all names of properties
104 */
105 std::vector<std::string> getPropertyNames();
106
107 /**
108 * Returns all of the properties in PropertyMap
109 *
110 * @return all of the properties in PropertyMap
111 *
112 * @see #getPropertyByName
113 */
114 std::vector<std::shared_ptr<GenericData>> getProperties();
115
116 /**
117 * Checks if property is in this PropertyMap
118 *
119 * @param propName name of property
120 *
121 * @return boolean
122 *
123 * @see #getProperties, #getPropertyByName
124 */
125 bool hasProperty(const std::string& propName);
126
127 /**
128 * Returns property
129 *
130 * @param propName name of property
131 *
132 * @return a pointer point to property with propName. If no property named
133 * propName exists, return NULL
134 *
135 * @see #getProperties
136 */
137 std::shared_ptr<GenericData> getPropertyByName(const std::string& propName);
138 // template<typename T = GenericData*> T getPropertyByName(std:std::string&
139 // propName);
140
141 protected:
142 std::map<std::string, std::shared_ptr<GenericData>> propMap_;
143
144 private:
145 /** prevent copy constructing */
146 PropertyMap(const PropertyMap&);
147
148 /** prevent copy assignment */
149 PropertyMap& operator=(const PropertyMap&);
150 };
151} // namespace OpenMD
152
153#endif // UTIL_PROPERTYMAP_HPP
PropertyMap class maintains a list of GenericData.
virtual ~PropertyMap()=default
Virtual Destructor responsible for deleting all of the generc data in PropertyMap.
std::shared_ptr< GenericData > getPropertyByName(const std::string &propName)
Returns property.
std::vector< std::shared_ptr< GenericData > > getProperties()
Returns all of the properties in PropertyMap.
void addProperty(std::shared_ptr< GenericData > genData)
Adds property into property map.
bool removeProperty(const std::string &propName)
Removes property from PropertyMap by name.
PropertyMap()
trivial constructor
bool hasProperty(const std::string &propName)
Checks if property is in this PropertyMap.
std::vector< std::string > getPropertyNames()
Returns all names of properties.
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.