#ifndef OPENMM_CUDAFORCEINFO_H_
#define OPENMM_CUDAFORCEINFO_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) 2009 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 "windowsExportCuda.h"
#include
namespace OpenMM {
/**
* This class is used by the Cuda implementation of a Force class to convey information
* about the behavior and requirements of that force.
*/
class OPENMM_EXPORT_CUDA CudaForceInfo {
public:
CudaForceInfo() {
}
/**
* Get whether or not two particles have identical force field parameters.
*/
virtual bool areParticlesIdentical(int particle1, int particle2);
/**
* Get the number of particle groups defined by this force.
*/
virtual int getNumParticleGroups();
/**
* Get the list of particles in a particular group.
*/
virtual void getParticlesInGroup(int index, std::vector& particles);
/**
* Get whether two particle groups are identical.
*/
virtual bool areGroupsIdentical(int group1, int group2);
};
} // namespace OpenMM
#endif /*OPENMM_CUDAFORCEINFO_H_*/