source: src/Potentials/TremoloPotentialTypes.hpp@ 0ee9cb3

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Last change on this file since 0ee9cb3 was afb7c0, checked in by Frederik Heber <heber@…>, 9 years ago

Added TremoloPotentialTypes that contains map on tremolo potential types.

  • TREMOLO splits potentials into sections such as "bonds" or "impropers". This information is now contained in new strcut TremoloPotentialTypes.
  • Property mode set to 100644
File size: 1.9 KB
RevLine 
[afb7c0]1/*
2 * TremoloPotentialTypes.hpp
3 *
4 * Created on: Mar 9, 2016
5 * Author: heber
6 */
7
8
9#ifndef TREMOLOPOTENTIALTYPES_HPP_
10#define TREMOLOPOTENTIALTYPES_HPP_
11
12// include config.h
13#ifdef HAVE_CONFIG_H
14#include <config.h>
15#endif
16
17#include <string>
18
19#include <boost/bimap.hpp>
20
21/** This class simply contains associations for each potential token
22 * to its type, e.g. harmonic_bond belongs to "bonds" in the TREMOLO
23 * potentials file.
24 */
25struct TremoloPotentialTypes
26{
27 typedef std::string token_t;
28 typedef std::string type_t;
29 typedef boost::bimap<token_t, type_t> TokenTypeMap_t;
30
31 /** Getter for the type to a given token.
32 *
33 * \param _token requested token
34 * \return type to \a _token
35 */
36 static const type_t& getTypeFromTokenName(const token_t &_token);
37
38 /** Getter for the token to a given type.
39 *
40 * \param _type requested type
41 * \return token to \a _type
42 */
43 static const token_t& getTokenFromType(const type_t &_type);
44
45 //!> enumeration of all TREMOLO types
46 enum tokentype_t
47 {
48 particles,
49 bonds,
50 angles,
51 torsions,
52 impropers,
53 nonbonded_2body_potentials,
54 MAX_tokentype
55 };
56
57 typedef boost::bimap<tokentype_t, type_t> type_name_map_t;
58
59 /** Getter for the enumerated type giving its name \a _type.
60 *
61 * \param _type name of the TREMOLO type
62 * \return enumerated type
63 */
64 static const tokentype_t& getTokenTypeFromType(const type_t &_type);
65
66 /** Getter for the name of a TREMOLO type from its enumerated \a _type.
67 *
68 * \param _type enumerated type
69 * \return name of type
70 */
71 static const type_t& getTypeFromTokenType(const tokentype_t _type);
72
73private:
74
75 //!> static map between the token of an EmpiricalPotential and its TREMOLO type
76 static TokenTypeMap_t TokenTypeMap;
77
78 //!> static map between enumerated type and the TREMOLO type
79 static type_name_map_t TypeNameMap;
80};
81
82
83#endif /* TREMOLOPOTENTIALTYPES_HPP_ */
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