OpenMD 3.0
Molecular Dynamics in the Open
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LatticeFactory.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 "lattice/LatticeCreator.hpp"
48#include "utils/MemoryUtils.hpp"
49
50namespace OpenMD {
51
52 LatticeFactory::~LatticeFactory() { Utils::deletePointers(creatorMap_); }
53
55 return creatorMap_
56 .insert(CreatorMapType::value_type(creator->getIdent(), creator))
57 .second;
58 }
59
60 bool LatticeFactory::unregisterLattice(const std::string& id) {
61 return creatorMap_.erase(id) == 1;
62 }
63
64 Lattice* LatticeFactory::createLattice(const std::string& id) {
65 CreatorMapType::iterator i = creatorMap_.find(id);
66 if (i != creatorMap_.end()) {
67 // invoke functor to create object
68 return (i->second)->create();
69 } else {
70 return NULL;
71 }
72 }
73
74 std::vector<std::string> LatticeFactory::getIdents() {
75 IdentVectorType idents;
76 CreatorMapType::iterator i;
77
78 for (i = creatorMap_.begin(); i != creatorMap_.end(); ++i) {
79 idents.push_back(i->first);
80 }
81
82 return idents;
83 }
84
85 std::ostream& operator<<(std::ostream& o, LatticeFactory& factory) {
86 LatticeFactory::IdentVectorType idents;
87 LatticeFactory::IdentVectorIterator i;
88
89 idents = factory.getIdents();
90
91 o << "Avaliable type identifiers in this factory: " << std::endl;
92 for (i = idents.begin(); i != idents.end(); ++i) {
93 o << *i << std::endl;
94 }
95
96 return o;
97 }
98
99} // namespace OpenMD
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 registerLattice(LatticeCreator *creator)
Registers a creator with a type identifier.
bool unregisterLattice(const std::string &id)
Unregisters the creator for the given type identifier.
IdentVectorType getIdents()
Returns all of the registed type identifiers.
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.