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