[6efcae] | 1 | /*
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| 2 | * SerializablePotential.hpp
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| 3 | *
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| 4 | * Created on: 23.11.2012
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef SERIALIZABLEPOTENTIAL_HPP_
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| 9 | #define SERIALIZABLEPOTENTIAL_HPP_
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| 10 |
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| 11 | // include config.h
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| 12 | #ifdef HAVE_CONFIG_H
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| 13 | #include <config.h>
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| 14 | #endif
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| 15 |
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| 16 | #include <iosfwd>
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| 17 | #include <vector>
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| 18 |
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| 19 | /** SerializablePotential is a potential that can be parsed from and stored to
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| 20 | * a .potentials file.
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| 21 | *
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| 22 | * All required functionality for printing and parsing the set of parameters
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| 23 | * is set as virtual functions and have to be implemented specifically, e.g.
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| 24 | * -# ParameterNames: Should be static instance as are the same over each
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| 25 | * potential type despite although there may be more than one instance.
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| 26 | * \note If the parameter name is left empty, the value is neither printed
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| 27 | * nor parsed. This may be issued to skip internal parameters (e.g. offset).
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| 28 | * -# ParticleTypes: has been implemented here, as is different per instance.
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| 29 | *
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| 30 | * Specifically, what you need to do when inheriting is:
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| 31 | * -# implement getParameters() and setParameters()
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| 32 | * -# have some static const ParameterNames_t in your class and implement
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| 33 | * getParameterNames() as a getter for it (or any other way you prefer).
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| 34 | * The static instance can be easily initialized via boost::assign::list_of.
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| 35 | *
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| 36 | */
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| 37 | class SerializablePotential
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| 38 | {
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| 39 | public:
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| 40 | //!> typedef for particle designation
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| 41 | typedef int ParticleType_t;
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| 42 | //!> typedef for a vector of particle designations
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| 43 | typedef std::vector<ParticleType_t> ParticleTypes_t;
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| 44 | //!> typedef for a vector of parameter names
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| 45 | typedef std::vector<std::string> ParameterNames_t;
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| 46 | //!> typedef for a single parameter degree of freedom of the function
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| 47 | typedef double parameter_t;
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| 48 | //!> typedef for the whole set of parameters of the function
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| 49 | typedef std::vector<parameter_t> parameters_t;
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| 50 |
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| 51 | public:
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| 52 | SerializablePotential(const ParticleTypes_t &_ParticleTypes) :
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| 53 | ParticleTypes(_ParticleTypes)
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| 54 | {}
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[96c7d2] | 55 | virtual ~SerializablePotential() {}
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[6efcae] | 56 |
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| 57 | /** Return the token name of this specific potential.
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| 58 | *
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| 59 | * \return token name of the potential
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| 60 | */
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| 61 | virtual const std::string& getToken() const=0;
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| 62 |
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| 63 | /** Return the name of this specific potential.
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| 64 | *
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| 65 | * This is required for storage in a Registry. The name is the token name
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| 66 | * followed by "_" and the particle types to make it unique.
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| 67 | *
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| 68 | * \return name of the potential
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| 69 | */
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| 70 | const std::string getName() const;
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| 71 |
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| 72 |
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| 73 | /** Getter for the parameters of this model function.
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| 74 | *
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| 75 | * \return current set of parameters of the model function
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| 76 | */
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| 77 | virtual parameters_t getParameters() const=0;
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| 78 |
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| 79 | /** Getter for the number of parameters of this model function.
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| 80 | *
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| 81 | * \return number of parameters
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| 82 | */
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| 83 | virtual size_t getParameterDimension() const=0;
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| 84 |
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| 85 | /** Returns a vector of particle designations.
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| 86 | *
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| 87 | * These designations denote the particle types for which this potential
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| 88 | * has been parametrized.
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| 89 | *
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| 90 | * \return vector of particle type
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| 91 | */
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| 92 | const ParticleTypes_t& getParticleTypes() const
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| 93 | { return ParticleTypes; }
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| 94 |
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| 95 | /** Returns a vector of parameter names.
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| 96 | *
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| 97 | * This is required from the specific implementation
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| 98 | *
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| 99 | * \return vector of strings containing parameter names
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| 100 | */
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| 101 | virtual const ParameterNames_t& getParameterNames() const=0;
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| 102 |
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| 103 | /** Returns the index associated to a specific parameter \a _name.
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| 104 | *
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| 105 | * \param _name parameter name to look up index for
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| 106 | * \return index to the given \a _name or (size_t)-1 if none found
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| 107 | */
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| 108 | const size_t getParameterIndex(const std::string &_name) const;
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| 109 |
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[3d2559] | 110 | /** Print parameters to given stream \a ost.
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| 111 | *
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| 112 | * These are virtual functions to allow for overriding and hence
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| 113 | * changing the default behavior.
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| 114 | *
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| 115 | * @param ost stream to print to
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| 116 | */
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| 117 | virtual void stream_to(std::ostream &ost) const;
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| 118 |
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| 119 | /** Parse parameters from given stream \a ist.
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| 120 | *
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| 121 | * These are virtual functions to allow for overriding and hence
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| 122 | * changing the default behavior.
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| 123 | *
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| 124 | * @param ist stream to parse from
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| 125 | */
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| 126 | virtual void stream_from(std::istream &ist);
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| 127 |
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[6efcae] | 128 | protected:
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| 129 |
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| 130 | /** Setter for the parameters of the model function.
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| 131 | *
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| 132 | * \param params set of parameters to set
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| 133 | */
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| 134 | virtual void setParameters(const parameters_t ¶ms)=0;
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| 135 |
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| 136 | /** Setter for a given particle type.
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| 137 | *
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| 138 | * \param index index of type to set
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| 139 | * \param _designation type to set to
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| 140 | */
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| 141 | void setParticleType(const size_t index, const ParticleType_t& _designation)
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| 142 | {
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[5f0c60] | 143 | if (ParticleTypes.size() <= index)
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| 144 | const_cast<ParticleTypes_t &>(ParticleTypes).resize(index+1);
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[6efcae] | 145 | const_cast<ParticleTypes_t &>(ParticleTypes)[index] = _designation;
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| 146 | }
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| 147 |
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[713888] | 148 | protected:
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| 149 | /** Default constructor for class EmpiricalPotential.
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| 150 | *
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| 151 | * Callable only by derived functions.
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| 152 | *
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| 153 | */
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| 154 | SerializablePotential();
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| 155 |
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[6efcae] | 156 | private:
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| 157 |
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| 158 | //!> static definition of the particle types for this potential
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| 159 | const ParticleTypes_t ParticleTypes;
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| 160 | };
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| 161 |
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| 162 | /** Output operations stores .potentials line containing these parameters
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| 163 | * coefficients and designations.
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| 164 | *
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| 165 | * \param ost output stream to print to
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| 166 | * \param potential potential whose coefficients to print
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| 167 | * \return output stream for concatenation
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| 168 | */
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| 169 | std::ostream& operator<<(std::ostream &ost, const SerializablePotential &potential);
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| 170 |
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| 171 | /** Input operation parses coefficients from a given line of a .potentials
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| 172 | * file.
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| 173 | *
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| 174 | * \param ist input stream to parse from
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| 175 | * \param potential potential to set
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| 176 | * \return input stream for concatenation
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| 177 | */
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| 178 | std::istream& operator>>(std::istream &ist, SerializablePotential &potential);
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| 179 |
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| 180 |
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| 181 | #endif /* SERIALIZABLEPOTENTIAL_HPP_ */
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