OpenMD 3.2
Molecular Dynamics in the Open
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OpenMD::SpatialStatistics Class Referenceabstract
Inheritance diagram for OpenMD::SpatialStatistics:

Public Member Functions

 SpatialStatistics (SimInfo *info, const std::string &filename, const std::string &sele, int nbins)
virtual void process ()
virtual void processFrame (int frame)
virtual int getBin (Vector3d pos)=0
virtual void processStuntDouble (StuntDouble *sd, int bin)=0
Public Member Functions inherited from OpenMD::StaticAnalyser
 StaticAnalyser (SimInfo *info, const std::string &filename, unsigned int nbins)
void setOutputName (const std::string &filename)
const std::string & getOutputFileName () const
void setStep (int step)
int getStep () const
const std::string & getAnalysisType () const
void setAnalysisType (const std::string &type)
void setParameterString (const std::string &params)

Protected Attributes

Snapshot * currentSnapshot_ {}
int nProcessed_ {}
std::string selectionScript_
SelectionEvaluator evaluator_
SelectionManager seleMan_
Protected Attributes inherited from OpenMD::StaticAnalyser
SimInfo * info_ {nullptr}
std::string dumpFilename_
int step_
unsigned int nBins_
std::string outputFilename_
std::string analysisType_
std::string paramString_
std::vector< OutputData > data_
std::vector< AtomType * > outputTypes_

Additional Inherited Members

Protected Member Functions inherited from OpenMD::StaticAnalyser
virtual void writeOutput ()

Detailed Description

Definition at line 65 of file SpatialStatistics.hpp.

Constructor & Destructor Documentation

◆ SpatialStatistics()

OpenMD::SpatialStatistics::SpatialStatistics ( SimInfo * info,
const std::string & filename,
const std::string & sele,
int nbins )

Definition at line 66 of file SpatialStatistics.cpp.

Member Function Documentation

◆ process()

void OpenMD::SpatialStatistics::process ( )
virtual

Implements OpenMD::StaticAnalyser.

Definition at line 79 of file SpatialStatistics.cpp.

◆ processFrame()

void OpenMD::SpatialStatistics::processFrame ( int frame)
virtual

Definition at line 93 of file SpatialStatistics.cpp.

Member Data Documentation

◆ currentSnapshot_

Snapshot* OpenMD::SpatialStatistics::currentSnapshot_ {}
protected

Definition at line 76 of file SpatialStatistics.hpp.

◆ evaluator_

SelectionEvaluator OpenMD::SpatialStatistics::evaluator_
protected

Definition at line 79 of file SpatialStatistics.hpp.

◆ nProcessed_

int OpenMD::SpatialStatistics::nProcessed_ {}
protected

Definition at line 77 of file SpatialStatistics.hpp.

◆ selectionScript_

std::string OpenMD::SpatialStatistics::selectionScript_
protected

Definition at line 78 of file SpatialStatistics.hpp.

◆ seleMan_

SelectionManager OpenMD::SpatialStatistics::seleMan_
protected

Definition at line 80 of file SpatialStatistics.hpp.

The documentation for this class was generated from the following files: