#ifndef OPENMM_BROOK_FLOAT_STREAM_INTERNAL_H_ #define OPENMM_BROOK_FLOAT_STREAM_INTERNAL_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 * * 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 "BrookPlatform.h" #include "BrookStreamInternal.h" #include "../../reference/src/SimTKUtilities/SimTKOpenMMRealType.h" namespace OpenMM { /** * This is the implementation of Float and Double streams in the Brook Platform. */ class BrookFloatStreamInternal : public BrookStreamInternal { public: /** * BrookFloatStreamInternal constructor * * @param name stream name * @param size size of array * @param streamWidth stream width * @param type stream type (float, float2, ...) * @param inputDefaultDangleValue default dangle value * */ BrookFloatStreamInternal( const std::string& name, int size, int inputStreamWidth, BrookStreamInternal::DataType type, double defaultDangleValue = 0.0 ); /** * BrookFloatStreamInternal destructor * */ ~BrookFloatStreamInternal( ); /** * Load data from input array * * @param array a pointer to the start of the array. The array is assumed to have the same length as this stream, * and to contain elements of the correct _data type for this stream. If the stream has a compound _data type, all * the values should be packed into a single array: all the values for the first element, followed by all the values * for the next element, etc. * * @throw exception if baseType not float or double * */ void loadFromArray( const void* array ); /** * Copy the contents of an array into this stream. * * @param array a pointer to the start of the array. The array is assumed to have the same length as this stream, * and to contain elements of the correct data type for this stream. If the stream has a compound data type, all * the values should be packed into a single array: all the values for the first element, followed by all the values * for the next element, etc. */ void loadFromArray( const void* array, BrookStreamInternal::DataType baseType ); /** * Save data to input array * * @param array a pointer to the start of the array. The array is assumed to have the same length as this stream, * and to contain elements of the correct _data type for this stream. If the stream has a compound _data type, all * the values should be packed into a single array: all the values for the first element, followed by all the values * for the next element, etc. * * @throw exception if baseType not float or double * */ void saveToArray( void* array ); /** * Fill data w/ input value * * @param value to set array to * * */ void fillWithValue( void* value ); /** * Get data array -- no read from board! * * @return data array */ void* getData( void ); /** * Get data array * * @param readFromBoard if set, read values on board * * @return data array */ void* getData( int readFromBoard ); /** * Get array of appropritate size for loading data * * @return data array -- user's responsibility to free */ void* getDataArray( void ); /** * Get dangle value * * @return dangle value */ double getDangleValue( void ) const; /* * Get contents of object * * * @param level level of dump * * @return string containing contents * * */ const std::string getContentsString( int level = 0 ) const; /** * Sum over stream dimensions * * @param stopIndex index to stop sum * @param sum array of size=getWidth() * * @return DefaultReturnValue * * @throw exception if stopIndex is too large */ int sumByDimension( int stopIndex, double* sum ); /* * Get stats * * @return statistics vector * * */ int getStatistics( std::vector>&, int maxScan ); private: BrookOpenMMFloat _defaultDangleValue; float* _data; RealOpenMM* _realOpenMMData; void _loadDanglingValues( void ); void _loadDanglingValues( float ); /* * Print array to file * * @param log log file * * @return DefaultReturnValue * * */ int _bodyPrintToFile( FILE* log, int maxPrint ); }; } // namespace OpenMM #endif /* OPENMM_BROOK_FLOAT_STREAM_INTERNAL_H_ */