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Commit 3f9a1d9d authored by Mark Friedrichs's avatar Mark Friedrichs
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Removal of ReferenceFreeEnergyPlatform

parent 6e543d20
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Showing with 29 additions and 140 deletions
plugins/freeEnergy/platforms/reference/include/ReferenceFreeEnergyPlatform.h deleted 100644 → 0
View file @ 6e543d20
#ifndef OPENMM_REFERENCE_FREE_ENERGY_PLATFORM_H_
#define OPENMM_REFERENCE_FREE_ENERGY_PLATFORM_H_
/* -------------------------------------------------------------------------- *
* 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 "ReferencePlatform.h"
namespace OpenMM {
/**
* This Platform subclass uses the reference implementations of all the OpenMM kernels.
*/
class OPENMM_EXPORT ReferenceFreeEnergyPlatform : public ReferencePlatform {
public:
// class PlatformData;
ReferenceFreeEnergyPlatform();
const std::string& getName() const {
static const std::string name = "ReferenceFreeEnergy";
return name;
}
#if 0
double getSpeed() const {
return 1;
}
bool supportsDoublePrecision() const;
void contextCreated(ContextImpl& context) const;
void contextDestroyed(ContextImpl& context) const;
#endif
};
#if 0
class ReferencePlatform::PlatformData {
public:
PlatformData(int numParticles);
~PlatformData();
int numParticles, stepCount;
double time;
void* positions;
void* velocities;
void* forces;
};
#endif
} // namespace OpenMM
#endif /*OPENMM_REFERENCE_FREE_ENERGY_PLATFORM_H_*/
plugins/freeEnergy/platforms/reference/src/ReferenceFreeEnergyKernelFactory.cpp
View file @ 3f9a1d9d
......@@ -36,6 +36,35 @@
using namespace OpenMM;
// using PluginInitializer.h and initOpenMMPlugin() does not seem to work
//#include "openmm/PluginInitializer.h"
#if defined(OPENMM_BUILDING_SHARED_LIBRARY)
#if defined(WIN32)
#include <windows.h>
extern "C" void initOpenMMReferenceFreeEnergyPlugin();
BOOL WINAPI DllMain(HANDLE hModule, DWORD ul_reason_for_call, LPVOID lpReserved) {
if (ul_reason_for_call == DLL_PROCESS_ATTACH)
initOpenMMReferenceFreeEnergyPlugin();
return TRUE;
}
#else
extern "C" void __attribute__((constructor)) initOpenMMReferenceFreeEnergyPlugin();
#endif
#endif
extern "C" void initOpenMMReferenceFreeEnergyPlugin() {
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<ReferencePlatform::PlatformData*>(context.getPlatformData());
......
plugins/freeEnergy/platforms/reference/src/ReferenceFreeEnergyPlatform.cpp deleted 100644 → 0
View file @ 6e543d20
/* -------------------------------------------------------------------------- *
* 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 "ReferenceFreeEnergyPlatform.h"
#include "openmm/freeEnergyKernels.h"
#include "ReferenceFreeEnergyKernelFactory.h"
// using PluginInitializer.h and initOpenMMPlugin() does not seem to work
//#include "openmm/PluginInitializer.h"
#if defined(OPENMM_BUILDING_SHARED_LIBRARY)
#if defined(WIN32)
#include <windows.h>
extern "C" void initOpenMMReferenceFreeEnergyPlugin();
BOOL WINAPI DllMain(HANDLE hModule, DWORD ul_reason_for_call, LPVOID lpReserved) {
if (ul_reason_for_call == DLL_PROCESS_ATTACH)
initOpenMMReferenceFreeEnergyPlugin();
return TRUE;
}
#else
extern "C" void __attribute__((constructor)) initOpenMMReferenceFreeEnergyPlugin();
#endif
#endif
using namespace OpenMM;
extern "C" void initOpenMMReferenceFreeEnergyPlugin() {
Platform::registerPlatform( new ReferenceFreeEnergyPlatform() );
}
ReferenceFreeEnergyPlatform::ReferenceFreeEnergyPlatform( void ){
ReferenceFreeEnergyKernelFactory* factory = new ReferenceFreeEnergyKernelFactory();
registerKernelFactory(CalcNonbondedSoftcoreForceKernel::Name(), factory);
registerKernelFactory(CalcGBSAOBCSoftcoreForceKernel::Name(), factory);
registerKernelFactory(CalcGBVISoftcoreForceKernel::Name(), factory);
}
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