/* -------------------------------------------------------------------------- *
* OpenMMAmoeba *
* -------------------------------------------------------------------------- *
* 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) 2011 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 "ReferenceRpmdKernelFactory.h"
#include "ReferenceRpmdKernels.h"
#include "ReferencePlatform.h"
#include "openmm/internal/ContextImpl.h"
#include "openmm/OpenMMException.h"
using namespace OpenMM;
extern "C" OPENMM_EXPORT void registerPlatforms() {
}
extern "C" OPENMM_EXPORT void registerKernelFactories() {
for (int i = 0; i < Platform::getNumPlatforms(); i++) {
Platform& platform = Platform::getPlatform(i);
if (dynamic_cast(&platform) != NULL) {
ReferenceRpmdKernelFactory* factory = new ReferenceRpmdKernelFactory();
platform.registerKernelFactory(IntegrateRPMDStepKernel::Name(), factory);
}
}
}
extern "C" OPENMM_EXPORT void registerRpmdReferenceKernelFactories() {
registerKernelFactories();
}
KernelImpl* ReferenceRpmdKernelFactory::createKernelImpl(std::string name, const Platform& platform, ContextImpl& context) const {
if (name == IntegrateRPMDStepKernel::Name())
return new ReferenceIntegrateRPMDStepKernel(name, platform);
throw OpenMMException((std::string("Tried to create kernel with illegal kernel name '")+name+"'").c_str());
}