| [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 | */
|
|---|
| 25 | struct 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 |
|
|---|
| 73 | private:
|
|---|
| 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_ */
|
|---|
