Gromacs: gmx::analysismodules::anonymous_namespace{rdf.cpp}::Rdf Class Reference


Public Member Functions

virtual void  initOptions (IOptionsContainer *options, TrajectoryAnalysisSettings *settings)   Initializes options understood by the module. More…   virtual void  optionsFinished (TrajectoryAnalysisSettings *settings)   Called after all option values have been set. More…   virtual void  initAnalysis (const TrajectoryAnalysisSettings &settings, const TopologyInformation &top)   Initializes the analysis. More…   virtual void  initAfterFirstFrame (const TrajectoryAnalysisSettings &settings, const t_trxframe &fr)   Performs additional initialization after reading the first frame. More…   virtual

TrajectoryAnalysisModuleDataPointer  startFrames (const AnalysisDataParallelOptions &opt, const SelectionCollection &selections)   Starts the analysis of frames. More…   virtual void  analyzeFrame (int frnr, const t_trxframe &fr, t_pbc *pbc, TrajectoryAnalysisModuleData *pdata)   Analyzes a single frame. More…   virtual void  finishAnalysis (int nframes)   Postprocesses data after frames have been read. More…   virtual void  writeOutput ()   Writes output into files and/or standard output/error. More…   - Public Member Functions inherited from gmx::TrajectoryAnalysisModule virtual void  finishFrames (TrajectoryAnalysisModuleData *pdata)   Finishes the analysis of frames. More…   int  datasetCount () const   Returns the number of datasets provided by the module. More…   const std::vector< std::string > &  datasetNames () const   Returns a vector with the names of datasets provided by the module. More…   AbstractAnalysisDatadatasetFromIndex (int index) const   Returns a pointer to the data set index. More…   AbstractAnalysisDatadatasetFromName (const char *name) const   Returns a pointer to the data set with name name. More…   void  finishFrameSerial (int frameIndex)   Processes data in AnalysisData objects in serial for each frame. More…  


Additional Inherited Members

- Protected Member Functions inherited from gmx::TrajectoryAnalysisModule   TrajectoryAnalysisModule ()   Initializes the dataset registration mechanism. More…   void  registerBasicDataset (AbstractAnalysisData *data, const char *name)   Registers a dataset that exports data. More…   void  registerAnalysisDataset (AnalysisData *data, const char *name)   Registers a parallelized dataset that exports data. More…  

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