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/* */
/* KIM-API: An API for interatomic models */
/* Copyright (c) 2013--2022, Regents of the University of Minnesota. */
/* All rights reserved. */
/* */
/* Contributors: */
/* Ryan S. Elliott */
/* */
/* SPDX-License-Identifier: LGPL-2.1-or-later */
/* */
/* This library is free software; you can redistribute it and/or */
/* modify it under the terms of the GNU Lesser General Public */
/* License as published by the Free Software Foundation; either */
/* version 2.1 of the License, or (at your option) any later version. */
/* */
/* This library is distributed in the hope that it will be useful, */
/* but WITHOUT ANY WARRANTY; without even the implied warranty of */
/* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU */
/* Lesser General Public License for more details. */
/* */
/* You should have received a copy of the GNU Lesser General Public License */
/* along with this library; if not, write to the Free Software Foundation, */
/* Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA */
/* */
/* */
/* Release: This file is part of the kim-api.git repository. */
/* */
#ifndef KIM_SIMULATOR_MODEL_H_
#define KIM_SIMULATOR_MODEL_H_
/* Forward declarations */
#ifndef KIM_LOG_VERBOSITY_DEFINED_
#define KIM_LOG_VERBOSITY_DEFINED_
/**
** \brief Forward declaration.
**
** \since 2.0
**/
typedef struct KIM_LogVerbosity KIM_LogVerbosity;
#endif
#ifndef KIM_SIMULATOR_MODEL_DEFINED_
#define KIM_SIMULATOR_MODEL_DEFINED_
/**
** \brief \copybrief KIM::SimulatorModel
**
** \copydetails KIM::SimulatorModel
**
** <!-- see also and since not needed here due to use of copydetails -->
**/
typedef struct KIM_SimulatorModel KIM_SimulatorModel;
#endif
/**
** \brief \copybrief KIM::SimulatorModel::Create
**
** \sa KIM::SimulatorModel::Create,
** kim_simulator_model_module::kim_simulator_model_create
**
** \since 2.1
**/
int KIM_SimulatorModel_Create(char const * const simulatorModelName,
KIM_SimulatorModel ** const simulatorModel);
/**
** \brief \copybrief KIM::SimulatorModel::Destroy
**
** \sa KIM::SimulatorModel::Destroy,
** kim_simulator_model_module::kim_simulator_model_destroy
**
** \since 2.1
**/
void KIM_SimulatorModel_Destroy(KIM_SimulatorModel ** const simulatorModel);
/**
** \brief \copybrief KIM::SimulatorModel::GetSimulatorNameAndVersion
**
** \sa KIM::SimulatorModel::GetSimulatorNameAndVersion,
** kim_simulator_model_module::kim_get_simulator_name_and_version
**
** \since 2.1
**/
void KIM_SimulatorModel_GetSimulatorNameAndVersion(
KIM_SimulatorModel const * const simulatorModel,
char const ** const simulatorName,
char const ** const simulatorVersion);
/**
** \brief \copybrief KIM::SimulatorModel::GetNumberOfSupportedSpecies
**
** \sa KIM::SimulatorModel::GetNumberOfSupportedSpecies,
** kim_simulator_model_module::kim_get_number_of_supported_species
**
** \since 2.1
**/
void KIM_SimulatorModel_GetNumberOfSupportedSpecies(
KIM_SimulatorModel const * const simulatorModel,
int * const numberOfSupportedSpecies);
/**
** \brief \copybrief KIM::SimulatorModel::GetSupportedSpecies
**
** \sa KIM::SimulatorModel::GetSupportedSpecies,
** kim_simulator_model_module::kim_get_supported_species
**
** \since 2.1
**/
int KIM_SimulatorModel_GetSupportedSpecies(
KIM_SimulatorModel const * const simulatorModel,
int const index,
char const ** const speciesName);
/**
** \brief \copybrief KIM::SimulatorModel::OpenAndInitializeTemplateMap
**
** \sa KIM::SimulatorModel::OpenAndInitializeTemplateMap,
** kim_simulator_model_module::kim_open_and_initialize_template_map
**
** \since 2.1
**/
void KIM_SimulatorModel_OpenAndInitializeTemplateMap(
KIM_SimulatorModel const * const simulatorModel);
/**
** \brief \copybrief KIM::SimulatorModel::TemplateMapIsOpen
**
** \sa KIM::SimulatorModel::TemplateMapIsOpen,
** kim_simulator_model_module::kim_template_map_is_open
**
** \since 2.1
**/
int KIM_SimulatorModel_TemplateMapIsOpen(
KIM_SimulatorModel const * const simulatorModel);
/**
** \brief \copybrief KIM::SimulatorModel::AddTemplateMap
**
** \sa KIM::SimulatorModel::AddTemplateMap,
** kim_simulator_model_module::kim_add_template_map
**
** \since 2.1
**/
int KIM_SimulatorModel_AddTemplateMap(
KIM_SimulatorModel const * const simulatorModel,
char const * const key,
char const * const value);
/**
** \brief \copybrief KIM::SimulatorModel::CloseTemplateMap
**
** \sa KIM::SimulatorModel::CloseTemplateMap,
** kim_simulator_model_module::kim_close_template_map
**
** \since 2.1
**/
void KIM_SimulatorModel_CloseTemplateMap(
KIM_SimulatorModel const * const simulatorModel);
/**
** \brief \copybrief KIM::SimulatorModel::GetNumberOfSimulatorFields
**
** \sa KIM::SimulatorModel::GetNumberOfSimulatorFields,
** kim_simulator_model_module::kim_get_number_of_simulator_fields
**
** \since 2.1
**/
void KIM_SimulatorModel_GetNumberOfSimulatorFields(
KIM_SimulatorModel const * const simulatorModel,
int * const numberOfSimulatorFields);
/**
** \brief \copybrief KIM::SimulatorModel::GetSimulatorFieldMetadata
**
** \sa KIM::SimulatorModel::GetSimulatorFieldMetadata,
** kim_simulator_model_module::kim_get_simulator_field_metadata
**
** \since 2.1
**/
int KIM_SimulatorModel_GetSimulatorFieldMetadata(
KIM_SimulatorModel const * const simulatorModel,
int const fieldIndex,
int * const extent,
char const ** const fieldName);
/**
** \brief \copybrief KIM::SimulatorModel::GetSimulatorFieldLine
**
** \sa KIM::SimulatorModel::GetSimulatorFieldLine,
** kim_simulator_model_module::kim_get_simulator_field_line
**
** \since 2.1
**/
int KIM_SimulatorModel_GetSimulatorFieldLine(
KIM_SimulatorModel const * const simulatorModel,
int const fieldIndex,
int const lineIndex,
char const ** const lineValue);
/**
** \brief \copybrief KIM::SimulatorModel::GetParameterFileDirectoryName
**
** \sa KIM::SimulatorModel::GetParameterFileDirectoryName,
** kim_simulator_model_module::kim_get_parameter_file_directory_name
**
** \since 2.1
**/
void KIM_SimulatorModel_GetParameterFileDirectoryName(
KIM_SimulatorModel const * const simulatorModel,
char const ** const directoryName);
/**
** \brief \copybrief KIM::SimulatorModel::GetSpecificationFileName
**
** \sa KIM::SimulatorModel::GetSpecificationFileName,
** kim_simulator_model_module::kim_get_specification_file_name
**
** \since 2.1
**/
void KIM_SimulatorModel_GetSpecificationFileName(
KIM_SimulatorModel const * const simulatorModel,
char const ** const specificationFileName);
/**
** \brief \copybrief KIM::SimulatorModel::GetNumberOfParameterFiles
**
** \sa KIM::SimulatorModel::GetNumberOfParameterFiles,
** kim_simulator_model_module::kim_get_number_of_parameter_files
**
** \since 2.1
**/
void KIM_SimulatorModel_GetNumberOfParameterFiles(
KIM_SimulatorModel const * const simulatorModel,
int * const numberOfParameterFiles);
/**
** \brief \copybrief KIM::SimulatorModel::GetParameterFileName
**
** \sa KIM::SimulatorModel::GetParameterFileName,
** kim_simulator_model_module::kim_get_parameter_file_name
**
** \since 2.1
**
** \deprecated As of 2.2. Please use
** KIM_SimulatorModel_GetParameterFileBasename() instead.
**/
int KIM_SimulatorModel_GetParameterFileName(
KIM_SimulatorModel const * const simulatorModel,
int const index,
char const ** const parameterFileName);
/**
** \brief \copybrief KIM::SimulatorModel::GetParameterFileBasename
**
** \sa KIM::SimulatorModel::GetParameterFileBasename,
** kim_simulator_model_module::kim_get_parameter_file_basename
**
** \since 2.2
**/
int KIM_SimulatorModel_GetParameterFileBasename(
KIM_SimulatorModel const * const simulatorModel,
int const index,
char const ** const parameterFileBasename);
/**
** \brief \copybrief KIM::SimulatorModel::SetSimulatorBufferPointer
**
** \sa KIM::SimulatorModel::SetSimulatorBufferPointer,
** kim_simulator_model_module::kim_set_simulator_buffer_pointer
**
** \since 2.1
**/
void KIM_SimulatorModel_SetSimulatorBufferPointer(
KIM_SimulatorModel * const simulatorModel, void * const ptr);
/**
** \brief \copybrief KIM::SimulatorModel::GetSimulatorBufferPointer
**
** \sa KIM::SimulatorModel::GetSimulatorBufferPointer,
** kim_simulator_model_module::kim_get_simulator_buffer_pointer
**
** \since 2.1
**/
void KIM_SimulatorModel_GetSimulatorBufferPointer(
KIM_SimulatorModel const * const simulatorModel, void ** const ptr);
/**
** \brief \copybrief KIM::SimulatorModel::ToString
**
** \sa KIM::SimulatorModel::ToString, kim_simulator_model_module::kim_to_string
**
** \since 2.1
**/
char const *
KIM_SimulatorModel_ToString(KIM_SimulatorModel const * const simulatorModel);
/**
** \brief \copybrief KIM::SimulatorModel::SetLogID
**
** \sa KIM::SimulatorModel::SetLogID,
** kim_simulator_model_module::kim_set_log_id
**
** \since 2.1
**/
void KIM_SimulatorModel_SetLogID(KIM_SimulatorModel * const simulatorModel,
char const * const logID);
/**
** \brief \copybrief KIM::SimulatorModel::PushLogVerbosity
**
** \sa KIM::SimulatorModel::PushLogVerbosity,
** kim_simulator_model_module::kim_push_log_verbosity
**
** \since 2.1
**/
void KIM_SimulatorModel_PushLogVerbosity(
KIM_SimulatorModel * const simulatorModel,
KIM_LogVerbosity const logVerbosity);
/**
** \brief \copybrief KIM::SimulatorModel::PopLogVerbosity
**
** \sa KIM::SimulatorModel::PopLogVerbosity,
** kim_simulator_model_module::kim_pop_log_verbosity
**
** \since 2.1
**/
void KIM_SimulatorModel_PopLogVerbosity(
KIM_SimulatorModel * const simulatorModel);
#endif /* KIM_SIMULATOR_MODEL_H_ */
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