31 #ifndef KIM_MODEL_DRIVER_CREATE_HPP_ 32 #define KIM_MODEL_DRIVER_CREATE_HPP_ 37 #ifndef KIM_FUNCTION_TYPES_HPP_ 47 class ModelRoutineName;
52 class TemperatureUnit;
54 class ModelDriverCreateImplementation;
110 std::string
const **
const parameterFileName)
const;
129 int const index, std::string
const **
const parameterFileBasename)
const;
191 int const numberOfNeighborLists,
192 double const *
const cutoffs,
193 int const *
const modelWillNotRequestNeighborsOfNoncontributingParticles);
272 std::string
const & name,
273 std::string
const & description);
278 std::string
const & name,
279 std::string
const & description);
366 double const lengthExponent,
367 double const energyExponent,
368 double const chargeExponent,
369 double const temperatureExponent,
370 double const timeExponent,
371 double *
const conversionFactor);
389 std::string
const & message,
390 int const lineNumber,
391 std::string
const & fileName)
const;
395 std::stringstream
const & message,
396 int const lineNumber,
397 std::string
const & fileName)
const;
409 std::string
const &
ToString()
const;
419 ModelDriverCreateImplementation * pimpl;
423 #endif // KIM_MODEL_DRIVER_CREATE_HPP_ int GetParameterFileBasename(int const index, std::string const **const parameterFileBasename) const
Get a particular parameter file basename. The file is located in the Model's parameter file directory...
std::string const & ToString() const
Get a string representing the internal state of the Model object.
An Extensible Enumeration for the TemperatureUnit's supported by the KIM API.
An Extensible Enumeration for the TimeUnit's supported by the KIM API.
An Extensible Enumeration for the ModelRoutineName's supported by the KIM API.
void GetNumberOfParameterFiles(int *const numberOfParameterFiles) const
Get the number of parameter files provided by the parameterized model.
void SetModelBufferPointer(void *const ptr)
Set the Model's buffer pointer within the Model object.
SupportStatus const required
The standard required status.
An Extensible Enumeration for the LengthUnit's supported by the KIM API.
void LogEntry(LogVerbosity const logVerbosity, std::string const &message, int const lineNumber, std::string const &fileName) const
Write a log entry into the log file.
void() Function(void)
Generic function type.
int SetModelNumbering(Numbering const numbering)
Set the Model's particle Numbering.
Provides the interface to a KIM API Model object for use by models within their MODEL_ROUTINE_NAME::C...
An Extensible Enumeration for the LogVerbosity's supported by the KIM API.
An Extensible Enumeration for the LanguageName's supported by the KIM API.
An Extensible Enumeration for the Numbering's supported by the KIM API.
int GetParameterFileName(int const index, std::string const **const parameterFileName) const
Get a particular parameter file name.
int SetUnits(LengthUnit const lengthUnit, EnergyUnit const energyUnit, ChargeUnit const chargeUnit, TemperatureUnit const temperatureUnit, TimeUnit const timeUnit)
Set the Model's base unit values.
An Extensible Enumeration for the EnergyUnit's supported by the KIM API.
void SetNeighborListPointers(int const numberOfNeighborLists, double const *const cutoffs, int const *const modelWillNotRequestNeighborsOfNoncontributingParticles)
Set the Model's neighbor list data pointers.
int SetRoutinePointer(ModelRoutineName const modelRoutineName, LanguageName const languageName, int const required, Function *const fptr)
Set the function pointer for the ModelRoutineName of interest.
void GetParameterFileDirectoryName(std::string const **const directoryName) const
Get absolute path name of the temporary directory where parameter files provided by the model are wri...
int SetParameterPointer(int const extent, int *const ptr, std::string const &name, std::string const &description)
Set the next parameter data pointer to be provided by the model.
An Extensible Enumeration for the ChargeUnit's supported by the KIM API.
int SetSpeciesCode(SpeciesName const speciesName, int const code)
Set integer code for supported SpeciesName.
An Extensible Enumeration for the SpeciesName's supported by the KIM API.
void SetInfluenceDistancePointer(double const *const influenceDistance)
Set the Model's influence distance data pointer.
static 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)
Get the multiplicative factor to convert between a derived unit represented in two different sets of ...