#ifndef OPENMM_CUDAPARAMETERSET_H_ #define OPENMM_CUDAPARAMETERSET_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) 2009-2019 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 "CudaContext.h" #include "CudaNonbondedUtilities.h" #include "openmm/common/ComputeParameterSet.h" namespace OpenMM { class CudaNonbondedUtilities; /** * This class exists for backward compatibility. For most purposes you can use * ComputeParameterSet directly instead. */ class OPENMM_EXPORT_COMMON CudaParameterSet : public ComputeParameterSet { public: /** * Create an CudaParameterSet. * * @param context the context for which to create the parameter set * @param numParameters the number of parameters for each object * @param numObjects the number of objects to store parameter values for * @param name the name of the parameter set * @param bufferPerParameter if true, a separate buffer is created for each parameter. If false, * multiple parameters may be combined into a single buffer. * @param useDoublePrecision whether values should be stored as single or double precision */ CudaParameterSet(CudaContext& context, int numParameters, int numObjects, const std::string& name, bool bufferPerParameter=false, bool useDoublePrecision=false); /** * Get a set of CudaNonbondedUtilities::ParameterInfo objects which describe the Buffers * containing the data. */ std::vector& getBuffers() { return buffers; } private: std::vector buffers; }; } // namespace OpenMM #endif /*OPENMM_CUDAPARAMETERSET_H_*/