OpenMD 3.1
Molecular Dynamics in the Open
Loading...
Searching...
No Matches
LatticeFactory.hpp
Go to the documentation of this file.
1/*
2 * Copyright (c) 2004-present, The University of Notre Dame. All rights
3 * reserved.
4 *
5 * Redistribution and use in source and binary forms, with or without
6 * modification, are permitted provided that the following conditions are met:
7 *
8 * 1. Redistributions of source code must retain the above copyright notice,
9 * this list of conditions and the following disclaimer.
10 *
11 * 2. Redistributions in binary form must reproduce the above copyright notice,
12 * this list of conditions and the following disclaimer in the documentation
13 * and/or other materials provided with the distribution.
14 *
15 * 3. Neither the name of the copyright holder nor the names of its
16 * contributors may be used to endorse or promote products derived from
17 * this software without specific prior written permission.
18 *
19 * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
20 * AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
21 * IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
22 * ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE
23 * LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR
24 * CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF
25 * SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS
26 * INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN
27 * CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE)
28 * ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
29 * POSSIBILITY OF SUCH DAMAGE.
30 *
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
45/**
46 * @file LatticeFactory.hpp
47 * @author Teng Lin
48 * @date 10/24/2004
49 * @version 1.0
50 */
51
52#ifndef LATTICE_LATTICEFACTORY_HPP
53#define LATTICE_LATTICEFACTORY_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 Lattice;
65 class LatticeCreator;
66 /**
67 * @class LatticeFactory
68 * Factory pattern and Singleton Pattern are used to define an interface for
69 * creating an Lattice.
70 */
72 public:
73 using CreatorMapType = std::map<std::string, LatticeCreator*>;
74 using IdentVectorType = std::vector<std::string>;
75 using IdentVectorIterator = std::vector<std::string>::iterator;
76
77 /**
78 * Returns an instance of Lattice factory
79 * @return an instance of Lattice factory
80 */
82 static LatticeFactory instance {};
83 return instance;
84 }
85
86 /**
87 * Registers a creator with a type identifier
88 * @return true if registration is succeed, otherwise return false
89 * @param creator the object responsible to create the concrete object
90 */
91 bool registerLattice(LatticeCreator* creator);
92
93 /**
94 * Unregisters the creator for the given type identifier. If the type
95 * identifier was previously registered, the function returns true.
96 * @return truethe type identifier was previously registered and the creator
97 * is removed, otherwise return false
98 * @param id the identification of the concrete object
99 */
100 bool unregisterLattice(const std::string& id);
101 /**
102 * Looks up the type identifier in the internal map. If it is found, it
103 * invokes the corresponding creator for the type identifier and returns its
104 * result.
105 * @return a pointer of the concrete object, return NULL if no creator is
106 * registed for creating this concrete object
107 * @param id the identification of the concrete object
108 */
109 Lattice* createLattice(const std::string& id);
110
111 /**
112 * Returns all of the registed type identifiers
113 * @return all of the registed type identifiers
114 */
115 IdentVectorType getIdents();
116
117 private:
118 LatticeFactory() = default;
120
121 LatticeFactory(const LatticeFactory&) = delete;
122 LatticeFactory& operator=(const LatticeFactory&) = delete;
123
124 CreatorMapType creatorMap_;
125 };
126
127 /** write out all of the type identifiers to an output stream */
128 std::ostream& operator<<(std::ostream& o, LatticeFactory& factory);
129
130} // namespace OpenMD
131
132#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:131