#ifndef OPENMM_BROOK_UPDATE_TIME_KERNEL_H_ #define OPENMM_BROOK_UPDATE_TIME_KERNEL_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: Mark Friedrichs, Mike Houston, 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/kernels.h" #include "OpenMMBrookInterface.h" namespace OpenMM { /** * This kernel initializes the forces */ class BrookUpdateTimeKernel : public UpdateTimeKernel { public: BrookUpdateTimeKernel( std::string name, const Platform& platform, OpenMMBrookInterface& openMMBrookInterface ); ~BrookUpdateTimeKernel(); /** * Initialize the kernel * * @param system the System this kernel will be applied to */ void initialize( const System& system ); /** * Get the current time (in picoseconds). * * @param context the context in which to execute this kernel */ double getTime(const ContextImpl& context) const; /** * Set the current time (in picoseconds). * * @param context the context in which to execute this kernel * @param time the time */ void setTime(ContextImpl& context, double time); /** * Set log file reference * * @param log file reference * * @return DefaultReturnValue * */ int setLog( FILE* log ); /* * Get contents of object * * @param level of dump * * @return string containing contents * * */ std::string getContents( int level ) const; /** * Get log file reference * * @return log file reference * */ FILE* getLog( void ) const; private: // log file reference FILE* _log; // interface OpenMMBrookInterface& _openMMBrookInterface; }; } // namespace OpenMM #endif /* OPENMM_BROOK_UPDATE_TIME_KERNEL_H_ */