#ifndef __OPENMM_OPENCLFFT3D_H__ #define __OPENMM_OPENCLFFT3D_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 "OpenCLArray.h" namespace OpenMM { class OpenCLFFT3D { public: OpenCLFFT3D(OpenCLContext& context, int xsize, int ysize, int zsize); ~OpenCLFFT3D(); void execFFT(OpenCLArray& data, bool forward = true); private: cl::Kernel createKernel(int size); int xsize, ysize, zsize; OpenCLContext& context; cl::Kernel xkernel, ykernel, zkernel; }; } // namespace OpenMM #endif // __OPENMM_OPENCLFFT3D_H__