ReferenceKernelFactory.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.               *
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 * Portions copyright (c) 2008-2024 Stanford University and the Authors.      *
 * Authors: Peter Eastman                                                     *
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#include "ReferenceKernelFactory.h"
#include "ReferenceKernels.h"
#include "openmm/internal/ContextImpl.h"
#include "openmm/OpenMMException.h"

using namespace OpenMM;

KernelImpl* ReferenceKernelFactory::createKernelImpl(std::string name, const Platform& platform, ContextImpl& context) const {
    ReferencePlatform::PlatformData& data = *static_cast<ReferencePlatform::PlatformData*>(context.getPlatformData());
    if (name == CalcForcesAndEnergyKernel::Name())
        return new ReferenceCalcForcesAndEnergyKernel(name, platform);
    if (name == UpdateStateDataKernel::Name())
        return new ReferenceUpdateStateDataKernel(name, platform, data);
    if (name == ApplyConstraintsKernel::Name())
        return new ReferenceApplyConstraintsKernel(name, platform, data);
    if (name == VirtualSitesKernel::Name())
        return new ReferenceVirtualSitesKernel(name, platform);
    if (name == CalcNonbondedForceKernel::Name())
        return new ReferenceCalcNonbondedForceKernel(name, platform);
    if (name == CalcCustomNonbondedForceKernel::Name())
        return new ReferenceCalcCustomNonbondedForceKernel(name, platform);
    if (name == CalcHarmonicBondForceKernel::Name())
        return new ReferenceCalcHarmonicBondForceKernel(name, platform);
    if (name == CalcCustomBondForceKernel::Name())
        return new ReferenceCalcCustomBondForceKernel(name, platform);
    if (name == CalcHarmonicAngleForceKernel::Name())
        return new ReferenceCalcHarmonicAngleForceKernel(name, platform);
    if (name == CalcCustomAngleForceKernel::Name())
        return new ReferenceCalcCustomAngleForceKernel(name, platform);
    if (name == CalcPeriodicTorsionForceKernel::Name())
        return new ReferenceCalcPeriodicTorsionForceKernel(name, platform);
    if (name == CalcRBTorsionForceKernel::Name())
        return new ReferenceCalcRBTorsionForceKernel(name, platform);
    if (name == CalcCMAPTorsionForceKernel::Name())
        return new ReferenceCalcCMAPTorsionForceKernel(name, platform);
    if (name == CalcCustomTorsionForceKernel::Name())
        return new ReferenceCalcCustomTorsionForceKernel(name, platform);
    if (name == CalcGBSAOBCForceKernel::Name())
        return new ReferenceCalcGBSAOBCForceKernel(name, platform);
    if (name == CalcCustomGBForceKernel::Name())
        return new ReferenceCalcCustomGBForceKernel(name, platform);
    if (name == CalcCustomExternalForceKernel::Name())
        return new ReferenceCalcCustomExternalForceKernel(name, platform);
    if (name == CalcCustomHbondForceKernel::Name())
        return new ReferenceCalcCustomHbondForceKernel(name, platform);
    if (name == CalcCustomCentroidBondForceKernel::Name())
        return new ReferenceCalcCustomCentroidBondForceKernel(name, platform);
    if (name == CalcCustomCompoundBondForceKernel::Name())
        return new ReferenceCalcCustomCompoundBondForceKernel(name, platform);
    if (name == CalcCustomCVForceKernel::Name())
        return new ReferenceCalcCustomCVForceKernel(name, platform);
    if (name == CalcATMForceKernel::Name())
        return new ReferenceCalcATMForceKernel(name, platform);
    if (name == CalcCustomCPPForceKernel::Name())
        return new ReferenceCalcCustomCPPForceKernel(name, platform);
    if (name == CalcOrientationRestraintForceKernel::Name())
        return new ReferenceCalcOrientationRestraintForceKernel(name, platform);
    if (name == CalcRGForceKernel::Name())
        return new ReferenceCalcRGForceKernel(name, platform);
    if (name == CalcRMSDForceKernel::Name())
        return new ReferenceCalcRMSDForceKernel(name, platform);
    if (name == CalcCustomManyParticleForceKernel::Name())
        return new ReferenceCalcCustomManyParticleForceKernel(name, platform);
    if (name == CalcGayBerneForceKernel::Name())
        return new ReferenceCalcGayBerneForceKernel(name, platform);
    if (name == IntegrateVerletStepKernel::Name())
        return new ReferenceIntegrateVerletStepKernel(name, platform, data);
    if (name == IntegrateNoseHooverStepKernel::Name())
        return new ReferenceIntegrateNoseHooverStepKernel(name, platform, data);
    if (name == IntegrateLangevinMiddleStepKernel::Name())
        return new ReferenceIntegrateLangevinMiddleStepKernel(name, platform, data);
    if (name == IntegrateBrownianStepKernel::Name())
        return new ReferenceIntegrateBrownianStepKernel(name, platform, data);
    if (name == IntegrateVariableLangevinStepKernel::Name())
        return new ReferenceIntegrateVariableLangevinStepKernel(name, platform, data);
    if (name == IntegrateVariableVerletStepKernel::Name())
        return new ReferenceIntegrateVariableVerletStepKernel(name, platform, data);
    if (name == IntegrateCustomStepKernel::Name())
        return new ReferenceIntegrateCustomStepKernel(name, platform, data);
    if (name == IntegrateDPDStepKernel::Name())
        return new ReferenceIntegrateDPDStepKernel(name, platform, data);
    if (name == IntegrateQTBStepKernel::Name())
        return new ReferenceIntegrateQTBStepKernel(name, platform, data);
    if (name == ApplyAndersenThermostatKernel::Name())
        return new ReferenceApplyAndersenThermostatKernel(name, platform);
    if (name == ApplyMonteCarloBarostatKernel::Name())
        return new ReferenceApplyMonteCarloBarostatKernel(name, platform);
    if (name == RemoveCMMotionKernel::Name())
        return new ReferenceRemoveCMMotionKernel(name, platform, data);
    throw OpenMMException((std::string("Tried to create kernel with illegal kernel name '") + name + "'").c_str());
}