OpenMD 3.0
Molecular Dynamics in the Open
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IntegratorFactory.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 IntegratorFactory.hpp
47 * @author Teng Lin
48 * @date 10/24/2004
49 * @version 1.0
50 */
51
52#ifndef INTEGRATORS_INTEGRATORFACTORY_HPP
53#define INTEGRATORS_INTEGRATORFACTORY_HPP
54
55#include <cassert>
56#include <iostream>
57#include <map>
58#include <string>
59#include <vector>
60
61namespace OpenMD {
62
63 // forward declaration
64 class Integrator;
65 class IntegratorCreator;
66 class SimInfo;
67 /**
68 * @class IntegratorFactory
69 * Factory pattern and Singleton Pattern are used to define an interface for
70 * creating an Integrator.
71 */
73 public:
74 using CreatorMapType = std::map<std::string, IntegratorCreator*>;
75 using IdentVectorType = std::vector<std::string>;
76 using IdentVectorIterator = std::vector<std::string>::iterator;
77
78 /**
79 * Returns an instance of Integrator factory
80 * @return an instance of Integrator factory
81 */
82
84 static IntegratorFactory instance {};
85 return instance;
86 }
87
88 /**
89 * Registers a creator with a type identifier
90 * @return true if registration is successful, otherwise return false
91 * @param creator the object responsible for creating the concrete object
92 */
94
95 /**
96 * Unregisters the creator for the given type identifier. If the type
97 * identifier was previously registered, the function returns true.
98 * @return truethe type identifier was previously registered and the creator
99 * is removed, otherwise return false
100 * @param id the identification of the concrete object
101 */
102 bool unregisterIntegrator(const std::string& id);
103
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 string of the concrete object
111 * @param info pointer to the concrete SimInfo object
112 */
113 Integrator* createIntegrator(const std::string& id, SimInfo* info);
114
115 /**
116 * Returns all of the registed type identifiers
117 * @return all of the registed type identifiers
118 */
119 IdentVectorType getIdents();
120
121 private:
122 IntegratorFactory() = default;
124
125 IntegratorFactory(const IntegratorFactory&) = delete;
126 IntegratorFactory& operator=(const IntegratorFactory&) = delete;
127
128 CreatorMapType creatorMap_;
129 };
130
131 /** write out all of the type identifiers to an output stream */
132 std::ostream& operator<<(std::ostream& o, IntegratorFactory& factory);
133} // namespace OpenMD
134
135#endif // INTEGRATORS_INTEGRATORFACTORY_HPP
Factory pattern and Singleton Pattern are used to define an interface for creating an Integrator.
bool unregisterIntegrator(const std::string &id)
Unregisters the creator for the given type identifier.
IdentVectorType getIdents()
Returns all of the registed type identifiers.
Integrator * createIntegrator(const std::string &id, SimInfo *info)
Looks up the type identifier in the internal map.
static IntegratorFactory & getInstance()
Returns an instance of Integrator factory.
bool registerIntegrator(IntegratorCreator *creator)
Registers a creator with a type identifier.
Declaration of the Integrator base class, which all other integrators inherit from.
One of the heavy-weight classes of OpenMD, SimInfo maintains objects and variables relating to the cu...
Definition SimInfo.hpp:93
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.