/* -------------------------------------------------------------------------- * * 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) 2008 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 "CudaFreeEnergyKernelFactory.h" #include "CudaFreeEnergyKernels.h" #include "openmm/freeEnergyKernels.h" #include "openmm/internal/ContextImpl.h" #include "openmm/OpenMMException.h" using namespace OpenMM; KernelImpl* CudaFreeEnergyKernelFactory::createKernelImpl(std::string name, const Platform& platform, ContextImpl& context) const { CudaPlatform::PlatformData& data = *static_cast(context.getPlatformData()); if (name == CalcNonbondedSoftcoreForceKernel::Name()) return new CudaFreeEnergyCalcNonbondedSoftcoreForceKernel(name, platform, data, context.getSystem()); if (name == CalcGBSAOBCSoftcoreForceKernel::Name()) return new CudaFreeEnergyCalcGBSAOBCSoftcoreForceKernel(name, platform, data); if (name == CalcGBVISoftcoreForceKernel::Name()) return new CudaFreeEnergyCalcGBVISoftcoreForceKernel(name, platform, data); throw OpenMMException( (std::string("Tried to create kernel with illegal kernel name '") + name + "'").c_str() ); }