OpenMD 3.2
Molecular Dynamics in the Open
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HydrodynamicsModelFactory.cpp
1/*
2 * Copyright (c) 2004-present, The University of Notre Dame. All rights
3 * reserved.
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6 * modification, are permitted provided that the following conditions are met:
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9 * this list of conditions and the following disclaimer.
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12 * this list of conditions and the following disclaimer in the documentation
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17 * this software without specific prior written permission.
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19 * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
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30 *
31 * SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
32 * research, please cite the following paper when you publish your work:
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
49
50#include "brains/SimInfo.hpp"
51#include "hydrodynamics/HydrodynamicsModel.hpp"
52#include "hydrodynamics/HydrodynamicsModelCreator.hpp"
53#include "utils/MemoryUtils.hpp"
54
55namespace OpenMD {
56
57 // initialize instance of HydrodynamicsModelFactory
58 HydrodynamicsModelFactory* HydrodynamicsModelFactory::instance_ = NULL;
59
60 HydrodynamicsModelFactory::~HydrodynamicsModelFactory() {
61 Utils::deletePointers(creatorMap_);
62 }
63
66 return creatorMap_
67 .insert(CreatorMapType::value_type(creator->getIdent(), creator))
68 .second;
69 }
70
72 const std::string& id) {
73 return creatorMap_.erase(id) == 1;
74 }
75
77 const std::string& id) {
78 CreatorMapType::iterator i = creatorMap_.find(id);
79 if (i != creatorMap_.end()) {
80 // invoke functor to create object
81 return (i->second)->create();
82 } else {
83 return NULL;
84 }
85 }
86
87 std::vector<std::string> HydrodynamicsModelFactory::getIdents() {
88 IdentVectorType idents;
89 CreatorMapType::iterator i;
90
91 for (i = creatorMap_.begin(); i != creatorMap_.end(); ++i) {
92 idents.push_back(i->first);
93 }
94
95 return idents;
96 }
97
98 std::ostream& operator<<(std::ostream& o,
100 HydrodynamicsModelFactory::IdentVectorType idents;
101 HydrodynamicsModelFactory::IdentVectorIterator i;
102
103 idents = factory.getIdents();
104
105 o << "Avaliable type identifiers in this factory: " << std::endl;
106 for (i = idents.begin(); i != idents.end(); ++i) {
107 o << *i << std::endl;
108 }
109
110 return o;
111 }
112
113} // namespace OpenMD
Factory pattern and Singleton Pattern are used to define an interface for creating an HydrodynamicsMo...
bool registerHydrodynamicsModel(HydrodynamicsModelCreator *creator)
Registers a creator with a type identifier.
IdentVectorType getIdents()
Returns all of the registed type identifiers.
HydrodynamicsModel * createHydrodynamicsModel(const std::string &id)
Looks up the type identifier in the internal map.
bool unregisterHydrodynamicsModel(const std::string &id)
Unregisters the creator for the given type identifier.
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.