// // SNAP.hpp // // LGPL Version 2.1 HEADER START // // 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 // // LGPL Version 2.1 HEADER END // // // Copyright (c) 2019, Regents of the University of Minnesota. // All rights reserved. // // Contributors: // Ryan S. Elliott // Yaser Afshar // #ifndef SNAP_HPP #define SNAP_HPP #include "KIM_ModelDriverHeaders.hpp" #include extern "C" { int model_driver_create(KIM::ModelDriverCreate *const modelDriverCreate, KIM::LengthUnit const requestedLengthUnit, KIM::EnergyUnit const requestedEnergyUnit, KIM::ChargeUnit const requestedChargeUnit, KIM::TemperatureUnit const requestedTemperatureUnit, KIM::TimeUnit const requestedTimeUnit); } // Forward declaration class SNAPImplementation; /*! * \brief SNAP model driver class for %KIM API * * * \note * There is no need to make these "extern" since KIM will only access them * via function pointers. "static" is required so that there is not * n implicit this pointer added to the prototype by the C++ compiler */ class SNAP { public: /*! * \brief Construct a new SNAP object * * \param modelDriverCreate * \param requestedLengthUnit * \param requestedEnergyUnit * \param requestedChargeUnit * \param requestedTemperatureUnit * \param requestedTimeUnit * \param ierr */ SNAP(KIM::ModelDriverCreate *const modelDriverCreate, KIM::LengthUnit const requestedLengthUnit, KIM::EnergyUnit const requestedEnergyUnit, KIM::ChargeUnit const requestedChargeUnit, KIM::TemperatureUnit const requestedTemperatureUnit, KIM::TimeUnit const requestedTimeUnit, int *const ierr); /*! * \brief Destroy the SNAP object * */ ~SNAP(); static int Destroy(KIM::ModelDestroy *const modelDestroy); static int Refresh(KIM::ModelRefresh *const modelRefresh); static int WriteParameterizedModel(KIM::ModelWriteParameterizedModel const *const modelWriteParameterizedModel); static int Compute(KIM::ModelCompute const *const modelCompute, KIM::ModelComputeArguments const *const modelComputeArguments); static int ComputeArgumentsCreate(KIM::ModelCompute const *const modelCompute, KIM::ModelComputeArgumentsCreate *const modelComputeArgumentsCreate); static int ComputeArgumentsDestroy(KIM::ModelCompute const *const modelCompute, KIM::ModelComputeArgumentsDestroy *const modelComputeArgumentsDestroy); private: std::unique_ptr snap_implementation; }; #endif // SNAP_HPP