OpenMD 3.2
Molecular Dynamics in the Open
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LatticeFactory.hpp
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33 *
34 * [1] Drisko et al., J. Open Source Softw. 9, 7004 (2024).
35 *
36 * Good starting points for code and simulation methodology are:
37 *
38 * [2] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
39 * [3] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
40 * [4] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
41 * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
42 * [6] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012).
43 * [7] Lamichhane, Gezelter & Newman, J. Chem. Phys. 141, 134109 (2014).
44 * [8] Bhattarai, Newman & Gezelter, Phys. Rev. B 99, 094106 (2019).
45 * [9] Drisko & Gezelter, J. Chem. Theory Comput. 20, 4986-4997 (2024).
46 */
47
48/**
49 * @file LatticeFactory.hpp
50 * @author Teng Lin
51 * @date 10/24/2004
52 * @version 1.0
53 */
54
55#ifndef LATTICE_LATTICEFACTORY_HPP
56#define LATTICE_LATTICEFACTORY_HPP
57
58#include <cassert>
59#include <iostream>
60#include <map>
61#include <string>
62#include <vector>
63
64namespace OpenMD {
65
66 // forward declaration
67 class Lattice;
68 class LatticeCreator;
69 /**
70 * @class LatticeFactory
71 * Factory pattern and Singleton Pattern are used to define an interface for
72 * creating an Lattice.
73 */
74 class LatticeFactory {
75 public:
76 using CreatorMapType = std::map<std::string, LatticeCreator*>;
77 using IdentVectorType = std::vector<std::string>;
78 using IdentVectorIterator = std::vector<std::string>::iterator;
79
80 /**
81 * Returns an instance of Lattice factory
82 * @return an instance of Lattice factory
83 */
84 static LatticeFactory& getInstance() {
85 static LatticeFactory instance {};
86 return instance;
87 }
88
89 /**
90 * Registers a creator with a type identifier
91 * @return true if registration is succeed, otherwise return false
92 * @param creator the object responsible to create the concrete object
93 */
94 bool registerLattice(LatticeCreator* creator);
95
96 /**
97 * Unregisters the creator for the given type identifier. If the type
98 * identifier was previously registered, the function returns true.
99 * @return truethe type identifier was previously registered and the creator
100 * is removed, otherwise return false
101 * @param id the identification of the concrete object
102 */
103 bool unregisterLattice(const std::string& id);
104 /**
105 * Looks up the type identifier in the internal map. If it is found, it
106 * invokes the corresponding creator for the type identifier and returns its
107 * result.
108 * @return a pointer of the concrete object, return NULL if no creator is
109 * registed for creating this concrete object
110 * @param id the identification of the concrete object
111 */
112 Lattice* createLattice(const std::string& id);
113
114 /**
115 * Returns all of the registed type identifiers
116 * @return all of the registed type identifiers
117 */
118 IdentVectorType getIdents();
119
120 private:
121 LatticeFactory() = default;
123
124 LatticeFactory(const LatticeFactory&) = delete;
125 LatticeFactory& operator=(const LatticeFactory&) = delete;
126
127 CreatorMapType creatorMap_;
128 };
129
130 /** write out all of the type identifiers to an output stream */
131 std::ostream& operator<<(std::ostream& o, LatticeFactory& factory);
132
133} // namespace OpenMD
134
135#endif // USETHEFORCE_FORCEFIELDFACTORY_HPP
Factory pattern and Singleton Pattern are used to define an interface for creating an Lattice.
Lattice * createLattice(const std::string &id)
Looks up the type identifier in the internal map.
bool unregisterLattice(const std::string &id)
Unregisters the creator for the given type identifier.
IdentVectorType getIdents()
Returns all of the registed type identifiers.
static LatticeFactory & getInstance()
Returns an instance of Lattice factory.
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.
void registerLattice()
Register all lattice.
Definition Register.cpp:134