KIM API V2
KIM_ModelDriverCreate.hpp
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32 
33 
34 #ifndef KIM_MODEL_DRIVER_CREATE_HPP_
35 #define KIM_MODEL_DRIVER_CREATE_HPP_
36 
37 #include <string>
38 #include <sstream>
39 
40 #ifndef KIM_FUNC_HPP_
41 #include "KIM_func.hpp"
42 #endif
43 
44 
45 namespace KIM
46 {
47 // Forward declarations
48 class LogVerbosity;
49 class LanguageName;
50 class Numbering;
51 class SpeciesName;
52 class SupportStatus;
53 class LengthUnit;
54 class EnergyUnit;
55 class ChargeUnit;
56 class TemperatureUnit;
57 class TimeUnit;
58 class ModelDriverCreateImplementation;
59 
60 
62 {
63  public:
64  void GetNumberOfParameterFiles(int * const numberOfParameterFiles) const;
65  int GetParameterFileName(int const index,
66  std::string const ** const parameterFileName) const;
67 
68  int SetModelNumbering(Numbering const numbering);
69 
70  void SetInfluenceDistancePointer(double const * const influenceDistance);
71 
72  void SetNeighborListCutoffsPointer(int const numberOfCutoffs,
73  double const * const cutoffs);
74 
75  int SetRefreshPointer(LanguageName const languageName, func * const fptr);
76  int SetDestroyPointer(LanguageName const languageName, func * const fptr);
77  int SetComputeArgumentsCreatePointer(LanguageName const languageName,
78  func * const fptr);
79  int SetComputeArgumentsDestroyPointer(LanguageName const languageName,
80  func * const fptr);
81  int SetComputePointer(LanguageName const languageName, func * const fptr);
82 
83  int SetSpeciesCode(SpeciesName const speciesName, int const code);
84 
85  int SetParameterPointer(int const extent, int * const ptr,
86  std::string const & description);
87  int SetParameterPointer(int const extent, double * const ptr,
88  std::string const & description);
89 
90  void SetModelBufferPointer(void * const ptr);
91 
92  int SetUnits(LengthUnit const lengthUnit,
93  EnergyUnit const energyUnit,
94  ChargeUnit const chargeUnit,
95  TemperatureUnit const temperatureUnit,
96  TimeUnit const timeUnit);
97 
98  int ConvertUnit(
99  LengthUnit const fromLengthUnit,
100  EnergyUnit const fromEnergyUnit,
101  ChargeUnit const fromChargeUnit,
102  TemperatureUnit const fromTemperatureUnit,
103  TimeUnit const fromTimeUnit,
104  LengthUnit const toLengthUnit,
105  EnergyUnit const toEnergyUnit,
106  ChargeUnit const toChargeUnit,
107  TemperatureUnit const toTemperatureUnit,
108  TimeUnit const toTimeUnit,
109  double const lengthExponent,
110  double const energyExponent,
111  double const chargeExponent,
112  double const temperatureExponent,
113  double const timeExponent,
114  double * const conversionFactor) const;
115 
116  void LogEntry(LogVerbosity const logVerbosity, std::string const & message,
117  int const lineNumber, std::string const & fileName) const;
118  void LogEntry(LogVerbosity const logVerbosity,
119  std::stringstream const & message,
120  int const lineNumber, std::string const & fileName) const;
121 
122  std::string const & String() const;
123 
124  private:
125  // do not allow copy constructor or operator=
127  void operator=(ModelDriverCreate const &);
128 
131 
132  ModelDriverCreateImplementation * pimpl;
133 }; // class ModelDriverCreate
134 } // namespace KIM
135 #endif // KIM_MODEL_DRIVER_CREATE_HPP_
int SetParameterPointer(int const extent, int *const ptr, std::string const &description)
int SetComputeArgumentsCreatePointer(LanguageName const languageName, func *const fptr)
int ConvertUnit(LengthUnit const fromLengthUnit, EnergyUnit const fromEnergyUnit, ChargeUnit const fromChargeUnit, TemperatureUnit const fromTemperatureUnit, TimeUnit const fromTimeUnit, LengthUnit const toLengthUnit, EnergyUnit const toEnergyUnit, ChargeUnit const toChargeUnit, TemperatureUnit const toTemperatureUnit, TimeUnit const toTimeUnit, double const lengthExponent, double const energyExponent, double const chargeExponent, double const temperatureExponent, double const timeExponent, double *const conversionFactor) const
int SetDestroyPointer(LanguageName const languageName, func *const fptr)
int SetRefreshPointer(LanguageName const languageName, func *const fptr)
void GetNumberOfParameterFiles(int *const numberOfParameterFiles) const
void SetModelBufferPointer(void *const ptr)
void LogEntry(LogVerbosity const logVerbosity, std::string const &message, int const lineNumber, std::string const &fileName) const
int SetModelNumbering(Numbering const numbering)
int SetComputePointer(LanguageName const languageName, func *const fptr)
int GetParameterFileName(int const index, std::string const **const parameterFileName) const
std::string const & String() const
int SetUnits(LengthUnit const lengthUnit, EnergyUnit const energyUnit, ChargeUnit const chargeUnit, TemperatureUnit const temperatureUnit, TimeUnit const timeUnit)
void SetNeighborListCutoffsPointer(int const numberOfCutoffs, double const *const cutoffs)
int SetSpeciesCode(SpeciesName const speciesName, int const code)
int SetComputeArgumentsDestroyPointer(LanguageName const languageName, func *const fptr)
void SetInfluenceDistancePointer(double const *const influenceDistance)
void() func()
Definition: KIM_func.hpp:40