#ifndef OPENMM_REFERENCEPLATFORM_H_ #define OPENMM_REFERENCEPLATFORM_H_ /* -------------------------------------------------------------------------- * * OpenMM * * -------------------------------------------------------------------------- * * This is part of the OpenMM molecular simulation toolkit. * * See https://openmm.org/development. * * * * Portions copyright (c) 2008-2025 Stanford University and the Authors. * * Authors: Peter Eastman * * Contributors: * * * * Permission is hereby granted, free of charge, to any person obtaining a * * copy of this software and associated documentation files (the "Software"), * * to deal in the Software without restriction, including without limitation * * the rights to use, copy, modify, merge, publish, distribute, sublicense, * * and/or sell copies of the Software, and to permit persons to whom the * * Software is furnished to do so, subject to the following conditions: * * * * The above copyright notice and this permission notice shall be included in * * all copies or substantial portions of the Software. * * * * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL * * THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, * * DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR * * OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE * * USE OR OTHER DEALINGS IN THE SOFTWARE. * * -------------------------------------------------------------------------- */ #include "openmm/Platform.h" #include "openmm/System.h" #include "openmm/internal/ThreadPool.h" #include "openmm/internal/windowsExport.h" #include "ReferenceConstraints.h" #include "ReferenceVirtualSites.h" #include #include namespace OpenMM { /** * This Platform subclass uses the reference implementations of all the OpenMM kernels. */ class OPENMM_EXPORT ReferencePlatform : public Platform { public: class PlatformData; ReferencePlatform(); const std::string& getName() const { static const std::string name = "Reference"; return name; } double getSpeed() const; bool supportsDoublePrecision() const; void contextCreated(ContextImpl& context, const std::map& properties) const; void contextDestroyed(ContextImpl& context) const; }; class OPENMM_EXPORT ReferencePlatform::PlatformData { public: PlatformData(const System& system, int numThreads); ~PlatformData(); int numParticles; long long stepCount; double time; ThreadPool threads; std::vector* positions; std::vector* velocities; std::vector* forces; Vec3* periodicBoxSize; Vec3* periodicBoxVectors; ReferenceConstraints* constraints; ReferenceVirtualSites* virtualSites; std::map* energyParameterDerivatives; }; } // namespace OpenMM #endif /*OPENMM_REFERENCEPLATFORM_H_*/