34 #ifndef KIM_MODEL_HPP_ 35 #define KIM_MODEL_HPP_ 54 class TemperatureUnit;
56 class ComputeArguments;
57 class ModelImplementation;
69 std::string
const & modelName,
70 int *
const requestedUnitsAccepted,
71 Model **
const model);
77 double const **
const cutoffs,
78 int const **
const paddingNeighborHints,
79 int const **
const halfListHints)
const;
94 int *
const speciesIsSupported,
95 int *
const code)
const;
99 int const index,
DataType *
const dataType,
int * extent,
100 std::string
const **
const description)
const;
101 int GetParameter(
int const parameterIndex,
int const arrayIndex,
102 int *
const parameterValue)
const;
103 int GetParameter(
int const parameterIndex,
int const arrayIndex,
104 double *
const parameterValue)
const;
105 int SetParameter(
int const parameterIndex,
int const arrayIndex,
106 int const parameterValue);
107 int SetParameter(
int const parameterIndex,
int const arrayIndex,
108 double const parameterValue);
113 std::string
const &
String()
const;
115 void SetLogID(std::string
const & logID);
122 void operator=(
Model const &);
127 ModelImplementation * pimpl;
130 #endif // KIM_MODEL_HPP_ void SetLogID(std::string const &logID)
static int Create(Numbering const numbering, LengthUnit const requestedLengthUnit, EnergyUnit const requestedEnergyUnit, ChargeUnit const requestedChargeUnit, TemperatureUnit const requestedTemperatureUnit, TimeUnit const requestedTimeUnit, std::string const &modelName, int *const requestedUnitsAccepted, Model **const model)
void GetUnits(LengthUnit *const lengthUnit, EnergyUnit *const energyUnit, ChargeUnit *const chargeUnit, TemperatureUnit *const temperatureUnit, TimeUnit *const timeUnit) const
void GetNeighborListPointers(int *const numberOfNeighborLists, double const **const cutoffs, int const **const paddingNeighborHints, int const **const halfListHints) const
void SetSimulatorBufferPointer(void *const ptr)
int ComputeArgumentsCreate(ComputeArguments **const computeArguments) const
int Compute(ComputeArguments const *const computeArguments) const
int SetParameter(int const parameterIndex, int const arrayIndex, int const parameterValue)
void GetInfluenceDistance(double *const influenceDistance) const
static void Destroy(Model **const model)
void GetSimulatorBufferPointer(void **const ptr) const
void GetNumberOfParameters(int *const numberOfParameters) const
std::string const & String() const
int GetParameter(int const parameterIndex, int const arrayIndex, int *const parameterValue) const
int GetSpeciesSupportAndCode(SpeciesName const speciesName, int *const speciesIsSupported, int *const code) const
int ComputeArgumentsDestroy(ComputeArguments **const computeArguments) const
int GetParameterDataTypeExtentAndDescription(int const index, DataType *const dataType, int *extent, std::string const **const description) const
void PushLogVerbosity(LogVerbosity const logVerbosity)