CudaKernelFactory.cpp

/* -------------------------------------------------------------------------- *
 *                                   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:                                                              *
 *                                                                            *
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 * copy of this software and associated documentation files (the "Software"), *
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 * Software is furnished to do so, subject to the following conditions:       *
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 * The above copyright notice and this permission notice shall be included in *
 * all copies or substantial portions of the Software.                        *
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 * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,   *
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#include "CudaKernelFactory.h"
#include "CudaKernels.h"
#include "openmm/internal/OpenMMContextImpl.h"
#include "openmm/OpenMMException.h"

using namespace OpenMM;

KernelImpl* CudaKernelFactory::createKernelImpl(std::string name, const Platform& platform, OpenMMContextImpl& context) const {
    CudaPlatform::PlatformData& data = *static_cast<CudaPlatform::PlatformData*>(context.getPlatformData());
    if (name == InitializeForcesKernel::Name())
        return new CudaInitializeForcesKernel(name, platform);
    if (name == CalcHarmonicBondForceKernel::Name())
        return new CudaCalcHarmonicBondForceKernel(name, platform, data, context.getSystem());
    if (name == CalcHarmonicAngleForceKernel::Name())
        return new CudaCalcHarmonicAngleForceKernel(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 == CalcNonbondedForceKernel::Name())
        return new CudaCalcNonbondedForceKernel(name, platform, data, context.getSystem());
    if (name == CalcGBSAOBCForceKernel::Name())
        return new CudaCalcGBSAOBCForceKernel(name, platform, data);
    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 == ApplyAndersenThermostatKernel::Name())
        return new CudaApplyAndersenThermostatKernel(name, platform, data);
    if (name == CalcKineticEnergyKernel::Name())
        return new CudaCalcKineticEnergyKernel(name, platform);
    if (name == RemoveCMMotionKernel::Name())
        return new CudaRemoveCMMotionKernel(name, platform, data);
    else
        throw OpenMMException((std::string("Tried to create kernel with illegal kernel name '")+name+"'").c_str());
}