#ifndef OPENMM_OPENCLFORCEINFO_H_ #define OPENMM_OPENCLFORCEINFO_H_ /* -------------------------------------------------------------------------- * * OpenMM * * -------------------------------------------------------------------------- * * This is part of the OpenMM molecular simulation toolkit originating from * * Simbios, the NIH National Center for Physics-Based Simulation of * * Biological Structures at Stanford, funded under the NIH Roadmap for * * Medical Research, grant U54 GM072970. See https://simtk.org. * * * * Portions copyright (c) 2009 Stanford University and the Authors. * * Authors: Peter Eastman * * Contributors: * * * * This program 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 3 of the License, or * * (at your option) any later version. * * * * This program 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 program. If not, see . * * -------------------------------------------------------------------------- */ #include "openmm/common/ComputeForceInfo.h" #include "openmm/common/windowsExportCommon.h" #include namespace OpenMM { /** * This class exists primarily for backward compatibility. Beyond the features of * ComputeForceInfo, it adds the ability to specify a required number of force buffers. * Using this mechanism is equivalent to calling requestForceBuffers() on the OpenCLContext. */ class OPENMM_EXPORT_COMMON OpenCLForceInfo : public ComputeForceInfo { public: OpenCLForceInfo(int requiredForceBuffers) : requiredForceBuffers(requiredForceBuffers) { } /** * Get the number of force buffers this force requires. */ int getRequiredForceBuffers() { return requiredForceBuffers; } private: int requiredForceBuffers; }; } // namespace OpenMM #endif /*OPENMM_OPENCLFORCEINFO_H_*/