/* -------------------------------------------------------------------------- * * 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) 2008 Stanford University and the Authors. * * Authors: Peter Eastman, Mark Friedrichs * * Contributors: * * * * Permission is hereby granted, free of charge, to any person obtaining a * * copy of this software and associated documentation files (the "Software"), * * to deal in the Software without restriction, including without limitation * * the rights to use, copy, modify, merge, publish, distribute, sublicense, * * and/or sell copies of the Software, and to permit persons to whom the * * Software is furnished to do so, subject to the following conditions: * * * * The above copyright notice and this permission notice shall be included in * * all copies or substantial portions of the Software. * * * * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL * * THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, * * DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR * * OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE * * USE OR OTHER DEALINGS IN THE SOFTWARE. * * -------------------------------------------------------------------------- */ #include "BrookPlatform.h" #include "BrookKernelFactory.h" //#include "BrookKernels.h" #include "SimTKUtilities/SimTKOpenMMRealType.h" using namespace OpenMM; BrookPlatform* registerBrookPlatform( void ){ BrookPlatform* platform = new BrookPlatform(); Platform::registerPlatform(platform); return platform; } BrookPlatform* staticPlatform = registerBrookPlatform( ); BrookPlatform::BrookPlatform( ){ _defaultAtomStreamWidth = DefaultAtomStreamWidth; _initializeFactory(); } BrookPlatform::BrookPlatform( int defaultAtomStreamWidth ){ _defaultAtomStreamWidth = defaultAtomStreamWidth; _initializeFactory(); } BrookPlatform::~BrookPlatform( ){ } void BrookPlatform::_initializeFactory( void ){ //BrookKernelFactory* factory = new BrookKernelFactory(); /* registerKernelFactory( CalcStandardMMForceFieldKernel::Name(), factory); registerKernelFactory( CalcGBSAOBCForceFieldKernel::Name(), factory); registerKernelFactory( IntegrateVerletStepKernel::Name(), factory); registerKernelFactory( IntegrateLangevinStepKernel::Name(), factory); registerKernelFactory( IntegrateBrownianStepKernel::Name(), factory); registerKernelFactory( ApplyAndersenThermostatKernel::Name(), factory); registerKernelFactory( CalcKineticEnergyKernel::Name(), factory); */ } bool BrookPlatform::supportsDoublePrecision( void ) const { return (sizeof(RealOpenMM) >= sizeof(double)); } const StreamFactory& BrookPlatform::getDefaultStreamFactory( void ) const { return defaultStreamFactory; } int BrookPlatform::getStreamSize( int size, int streamWidth, int* outputHeight ) const { if( streamWidth < 1 ){ return -1; } int height = size/streamWidth; if( streamWidth*height < size ){ height++; } if( outputHeight ){ *outputHeight = height; } return height*streamWidth; }