/* -------------------------------------------------------------------------- * * 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: * * * * Permission is hereby granted, free of charge, to any person obtaining a * * copy of this software and associated documentation files (the "Software"), * * to deal in the Software without restriction, including without limitation * * the rights to use, copy, modify, merge, publish, distribute, sublicense, * * and/or sell copies of the Software, and to permit persons to whom the * * Software is furnished to do so, subject to the following conditions: * * * * The above copyright notice and this permission notice shall be included in * * all copies or substantial portions of the Software. * * * * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL * * THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, * * DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR * * OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE * * USE OR OTHER DEALINGS IN THE SOFTWARE. * * -------------------------------------------------------------------------- */ #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(context.getPlatformData()); if (name == CalcForcesAndEnergyKernel::Name()) return new ReferenceCalcForcesAndEnergyKernel(name, platform); if (name == UpdateTimeKernel::Name()) return new ReferenceUpdateTimeKernel(name, platform, data); 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 == CalcHarmonicAngleForceKernel::Name()) return new ReferenceCalcHarmonicAngleForceKernel(name, platform); if (name == CalcHarmonicAngleForceKernel::Name()) return new ReferenceCalcHarmonicAngleForceKernel(name, platform); if (name == CalcPeriodicTorsionForceKernel::Name()) return new ReferenceCalcPeriodicTorsionForceKernel(name, platform); if (name == CalcRBTorsionForceKernel::Name()) return new ReferenceCalcRBTorsionForceKernel(name, platform); if (name == CalcGBSAOBCForceKernel::Name()) return new ReferenceCalcGBSAOBCForceKernel(name, platform); if (name == CalcGBVIForceKernel::Name()) return new ReferenceCalcGBVIForceKernel(name, platform); if (name == IntegrateVerletStepKernel::Name()) return new ReferenceIntegrateVerletStepKernel(name, platform, data); if (name == IntegrateLangevinStepKernel::Name()) return new ReferenceIntegrateLangevinStepKernel(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 == ApplyAndersenThermostatKernel::Name()) return new ReferenceApplyAndersenThermostatKernel(name, platform); if (name == CalcKineticEnergyKernel::Name()) return new ReferenceCalcKineticEnergyKernel(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() ); }