#ifndef OPENMM_COMPUTEPROGRAM_H_ #define OPENMM_COMPUTEPROGRAM_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) 2019 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 "openmm/common/ComputeKernel.h" #include namespace OpenMM { /** * This abstract class represents a compiled program that can be executed on a computing * device. A ComputeProgramImpl is created by calling compileProgram() on a ComputeContext, * which returns an instance of a platform-specific subclass. The source code for a * ComputeProgramImpl typically contains one or more kernels. Call createKernel() to get * ComputeKernels for the kernels, which can then be executed. * * Instead of referring to this class directly, it is best to use ComputeProgram, which is * a typedef for a shared_ptr to a ComputeProgramImpl. This allows you to treat it as having * value semantics, and frees you from having to manage memory. */ class OPENMM_EXPORT_COMMON ComputeProgramImpl { public: virtual ~ComputeProgramImpl() { } /** * Create a ComputeKernel for one of the kernels in this program. * * @param name the name of the kernel to get */ virtual ComputeKernel createKernel(const std::string& name) = 0; }; typedef std::shared_ptr ComputeProgram; } // namespace OpenMM #endif /*OPENMM_COMPUTEPROGRAM_H_*/