OpenMD 3.0
Molecular Dynamics in the Open
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IntegratorFactory.cpp
1/*
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31 * SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
32 * research, please cite the appropriate papers when you publish your
33 * work. Good starting points are:
34 *
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
46
47#include "integrators/IntegratorCreator.hpp"
48#include "utils/MemoryUtils.hpp"
49
50namespace OpenMD {
51
52 IntegratorFactory::~IntegratorFactory() {
53 Utils::deletePointers(creatorMap_);
54 }
55
57 return creatorMap_
58 .insert(CreatorMapType::value_type(creator->getIdent(), creator))
59 .second;
60 }
61
62 bool IntegratorFactory::unregisterIntegrator(const std::string& id) {
63 return creatorMap_.erase(id) == 1;
64 }
65
67 SimInfo* info) {
68 CreatorMapType::iterator i = creatorMap_.find(id);
69 if (i != creatorMap_.end()) {
70 // invoke functor to create object
71 return (i->second)->create(info);
72 } else {
73 return NULL;
74 }
75 }
76
77 std::vector<std::string> IntegratorFactory::getIdents() {
78 IdentVectorType idents;
79 CreatorMapType::iterator i;
80
81 for (i = creatorMap_.begin(); i != creatorMap_.end(); ++i) {
82 idents.push_back(i->first);
83 }
84
85 return idents;
86 }
87
88 std::ostream& operator<<(std::ostream& o, IntegratorFactory& factory) {
89 IntegratorFactory::IdentVectorType idents;
90 IntegratorFactory::IdentVectorIterator i;
91
92 idents = factory.getIdents();
93
94 o << "Avaliable type identifiers in this factory: " << std::endl;
95 for (i = idents.begin(); i != idents.end(); ++i) {
96 o << *i << std::endl;
97 }
98
99 return o;
100 }
101} // namespace OpenMD
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.
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.