/* -------------------------------------------------------------------------- * * 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 "CudaKernelFactory.h" #include "CudaKernels.h" #include "openmm/internal/ContextImpl.h" #include "openmm/OpenMMException.h" using namespace OpenMM; OPENMMCUDA_EXPORT KernelImpl* CudaKernelFactory::createKernelImpl(std::string name, const Platform& platform, ContextImpl& context) const { CudaPlatform::PlatformData& data = *static_cast(context.getPlatformData()); if (name == CalcForcesAndEnergyKernel::Name()) return new CudaCalcForcesAndEnergyKernel(name, platform, data); if (name == UpdateStateDataKernel::Name()) return new CudaUpdateStateDataKernel(name, platform, data); if (name == ApplyConstraintsKernel::Name()) return new CudaApplyConstraintsKernel(name, platform, data); if (name == VirtualSitesKernel::Name()) return new CudaVirtualSitesKernel(name, platform); if (name == CalcHarmonicBondForceKernel::Name()) return new CudaCalcHarmonicBondForceKernel(name, platform, data, context.getSystem()); if (name == CalcCustomBondForceKernel::Name()) return new CudaCalcCustomBondForceKernel(name, platform, data, context.getSystem()); if (name == CalcHarmonicAngleForceKernel::Name()) return new CudaCalcHarmonicAngleForceKernel(name, platform, data, context.getSystem()); if (name == CalcCustomAngleForceKernel::Name()) return new CudaCalcCustomAngleForceKernel(name, platform, data, context.getSystem()); if (name == CalcPeriodicTorsionForceKernel::Name()) return new CudaCalcPeriodicTorsionForceKernel(name, platform, data, context.getSystem()); if (name == CalcRBTorsionForceKernel::Name()) return new CudaCalcRBTorsionForceKernel(name, platform, data, context.getSystem()); if (name == CalcCMAPTorsionForceKernel::Name()) return new CudaCalcCMAPTorsionForceKernel(name, platform, data, context.getSystem()); if (name == CalcCustomTorsionForceKernel::Name()) return new CudaCalcCustomTorsionForceKernel(name, platform, data, context.getSystem()); if (name == CalcNonbondedForceKernel::Name()) return new CudaCalcNonbondedForceKernel(name, platform, data, context.getSystem()); if (name == CalcCustomNonbondedForceKernel::Name()) return new CudaCalcCustomNonbondedForceKernel(name, platform, data, context.getSystem()); if (name == CalcGBSAOBCForceKernel::Name()) return new CudaCalcGBSAOBCForceKernel(name, platform, data); if (name == CalcGBVIForceKernel::Name()) return new CudaCalcGBVIForceKernel(name, platform, data); if (name == CalcCustomExternalForceKernel::Name()) return new CudaCalcCustomExternalForceKernel(name, platform, data, context.getSystem()); if (name == IntegrateVerletStepKernel::Name()) return new CudaIntegrateVerletStepKernel(name, platform, data); if (name == IntegrateLangevinStepKernel::Name()) return new CudaIntegrateLangevinStepKernel(name, platform, data); if (name == IntegrateBrownianStepKernel::Name()) return new CudaIntegrateBrownianStepKernel(name, platform, data); if (name == IntegrateVariableVerletStepKernel::Name()) return new CudaIntegrateVariableVerletStepKernel(name, platform, data); if (name == IntegrateVariableLangevinStepKernel::Name()) return new CudaIntegrateVariableLangevinStepKernel(name, platform, data); if (name == ApplyAndersenThermostatKernel::Name()) return new CudaApplyAndersenThermostatKernel(name, platform, data); if (name == ApplyMonteCarloBarostatKernel::Name()) return new CudaApplyMonteCarloBarostatKernel(name, platform, data); if (name == CalcKineticEnergyKernel::Name()) return new CudaCalcKineticEnergyKernel(name, platform, data); if (name == RemoveCMMotionKernel::Name()) return new CudaRemoveCMMotionKernel(name, platform, data); throw OpenMMException((std::string("Tried to create kernel with illegal kernel name '")+name+"'").c_str()); }