/* -------------------------------------------------------------------------- * * 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 "ReferenceFreeEnergyKernelFactory.h" #include "ReferenceFreeEnergyKernels.h" #include "openmm/internal/ContextImpl.h" #include "openmm/OpenMMException.h" using namespace OpenMM; #if defined(WIN32) #include extern "C" void registerAmoebaSerializationProxies(); BOOL WINAPI DllMain(HANDLE hModule, DWORD ul_reason_for_call, LPVOID lpReserved) { if (ul_reason_for_call == DLL_PROCESS_ATTACH) registerAmoebaSerializationProxies(); return TRUE; } #else extern "C" void __attribute__((constructor)) registerKernelFactories(); #endif extern "C" void registerKernelFactories() { for( int ii = 0; ii < Platform::getNumPlatforms(); ii++ ){ Platform& platform = Platform::getPlatform(ii); if( platform.getName().compare( "Reference" ) == 0 ){ ReferenceFreeEnergyKernelFactory* factory = new ReferenceFreeEnergyKernelFactory(); platform.registerKernelFactory(CalcNonbondedSoftcoreForceKernel::Name(), factory); platform.registerKernelFactory(CalcGBSAOBCSoftcoreForceKernel::Name(), factory); platform.registerKernelFactory(CalcGBVISoftcoreForceKernel::Name(), factory); } } } KernelImpl* ReferenceFreeEnergyKernelFactory::createKernelImpl(std::string name, const Platform& platform, ContextImpl& context) const { ReferencePlatform::PlatformData& data = *static_cast(context.getPlatformData()); if (name == CalcNonbondedSoftcoreForceKernel::Name()) return new ReferenceFreeEnergyCalcNonbondedSoftcoreForceKernel(name, platform); if (name == CalcGBSAOBCSoftcoreForceKernel::Name()) return new ReferenceFreeEnergyCalcGBSAOBCSoftcoreForceKernel(name, platform); if (name == CalcGBVISoftcoreForceKernel::Name()) return new ReferenceFreeEnergyCalcGBVISoftcoreForceKernel(name, platform); throw OpenMMException( (std::string("Tried to create kernel with illegal kernel name '") + name + "'").c_str() ); }