#ifndef OPENMM_OPENCLFORCEINFO_H_ #define OPENMM_OPENCLFORCEINFO_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 "windowsExportOpenCL.h" #include namespace OpenMM { /** * This class is used by the OpenCL implementation of a Force class to convey information * about the behavior and requirements of that force. */ class OPENMM_EXPORT_OPENCL OpenCLForceInfo { public: OpenCLForceInfo(int requiredForceBuffers) : requiredForceBuffers(requiredForceBuffers) { } /** * Get the number of force buffers this force requires. */ int getRequiredForceBuffers() { return requiredForceBuffers; } /** * 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); private: int requiredForceBuffers; }; } // namespace OpenMM #endif /*OPENMM_OPENCLFORCEINFO_H_*/