/* -------------------------------------------------------------------------- *
* 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 "OpenCLKernelFactory.h"
#include "OpenCLKernels.h"
#include "openmm/internal/ContextImpl.h"
#include "openmm/OpenMMException.h"
using namespace OpenMM;
KernelImpl* OpenCLKernelFactory::createKernelImpl(std::string name, const Platform& platform, ContextImpl& context) const {
OpenCLPlatform::PlatformData& data = *static_cast(context.getPlatformData());
OpenCLContext& cl = *data.context;
if (name == CalcForcesAndEnergyKernel::Name())
return new OpenCLCalcForcesAndEnergyKernel(name, platform, cl);
if (name == UpdateStateDataKernel::Name())
return new OpenCLUpdateStateDataKernel(name, platform, cl);
if (name == ApplyConstraintsKernel::Name())
return new OpenCLApplyConstraintsKernel(name, platform, cl);
if (name == CalcHarmonicBondForceKernel::Name())
return new OpenCLCalcHarmonicBondForceKernel(name, platform, cl, context.getSystem());
if (name == CalcCustomBondForceKernel::Name())
return new OpenCLCalcCustomBondForceKernel(name, platform, cl, context.getSystem());
if (name == CalcHarmonicAngleForceKernel::Name())
return new OpenCLCalcHarmonicAngleForceKernel(name, platform, cl, context.getSystem());
if (name == CalcCustomAngleForceKernel::Name())
return new OpenCLCalcCustomAngleForceKernel(name, platform, cl, context.getSystem());
if (name == CalcPeriodicTorsionForceKernel::Name())
return new OpenCLCalcPeriodicTorsionForceKernel(name, platform, cl, context.getSystem());
if (name == CalcRBTorsionForceKernel::Name())
return new OpenCLCalcRBTorsionForceKernel(name, platform, cl, context.getSystem());
if (name == CalcCMAPTorsionForceKernel::Name())
return new OpenCLCalcCMAPTorsionForceKernel(name, platform, cl, context.getSystem());
if (name == CalcCustomTorsionForceKernel::Name())
return new OpenCLCalcCustomTorsionForceKernel(name, platform, cl, context.getSystem());
if (name == CalcNonbondedForceKernel::Name())
return new OpenCLCalcNonbondedForceKernel(name, platform, cl, context.getSystem());
if (name == CalcCustomNonbondedForceKernel::Name())
return new OpenCLCalcCustomNonbondedForceKernel(name, platform, cl, context.getSystem());
if (name == CalcGBSAOBCForceKernel::Name())
return new OpenCLCalcGBSAOBCForceKernel(name, platform, cl);
if (name == CalcCustomGBForceKernel::Name())
return new OpenCLCalcCustomGBForceKernel(name, platform, cl, context.getSystem());
if (name == CalcCustomExternalForceKernel::Name())
return new OpenCLCalcCustomExternalForceKernel(name, platform, cl, context.getSystem());
if (name == CalcCustomHbondForceKernel::Name())
return new OpenCLCalcCustomHbondForceKernel(name, platform, cl, context.getSystem());
if (name == IntegrateVerletStepKernel::Name())
return new OpenCLIntegrateVerletStepKernel(name, platform, cl);
if (name == IntegrateLangevinStepKernel::Name())
return new OpenCLIntegrateLangevinStepKernel(name, platform, cl);
if (name == IntegrateBrownianStepKernel::Name())
return new OpenCLIntegrateBrownianStepKernel(name, platform, cl);
if (name == IntegrateVariableVerletStepKernel::Name())
return new OpenCLIntegrateVariableVerletStepKernel(name, platform, cl);
if (name == IntegrateVariableLangevinStepKernel::Name())
return new OpenCLIntegrateVariableLangevinStepKernel(name, platform, cl);
if (name == ApplyAndersenThermostatKernel::Name())
return new OpenCLApplyAndersenThermostatKernel(name, platform, cl);
if (name == ApplyMonteCarloBarostatKernel::Name())
return new OpenCLApplyMonteCarloBarostatKernel(name, platform, cl);
if (name == CalcKineticEnergyKernel::Name())
return new OpenCLCalcKineticEnergyKernel(name, platform, cl);
if (name == RemoveCMMotionKernel::Name())
return new OpenCLRemoveCMMotionKernel(name, platform, cl);
throw OpenMMException((std::string("Tried to create kernel with illegal kernel name '")+name+"'").c_str());
}