OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::SpatialStatistics Class Referenceabstract

#include <SpatialStatistics.hpp>

Inheritance diagram for OpenMD::SpatialStatistics:
OpenMD::StaticAnalyser OpenMD::ShellStatistics OpenMD::SlabStatistics OpenMD::RNEMDR OpenMD::RNEMDRTheta OpenMD::RNEMDZ

Public Member Functions

 SpatialStatistics (SimInfo *info, const string &filename, const string &sele, int nbins)
 
 ~SpatialStatistics ()
 
void addOutputData (OutputData *dat)
 
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)
 
virtual ~StaticAnalyser ()
 
void setOutputName (const std::string &filename)
 
const std::string & getOutputFileName () const
 
void setStep (int step)
 
int getStep ()
 
const std::string & getAnalysisType () const
 
void setAnalysisType (const std::string &type)
 
void setParameterString (const std::string &params)
 

Protected Attributes

SnapshotcurrentSnapshot_
 
int nProcessed_
 
string selectionScript_
 
SelectionEvaluator evaluator_
 
SelectionManager seleMan_
 
- Protected Attributes inherited from OpenMD::StaticAnalyser
SimInfoinfo_
 
std::string dumpFilename_
 
std::string outputFilename_
 
int step_
 
std::string analysisType_
 
std::string paramString_
 
unsigned int nBins_
 
OutputDatacounts_
 
vector< OutputData * > data_
 

Additional Inherited Members

- Protected Member Functions inherited from OpenMD::StaticAnalyser
virtual void writeOutput ()
 
virtual void writeData (ostream &os, OutputData *dat, unsigned int bin)
 
virtual void writeErrorBars (ostream &os, OutputData *dat, unsigned int bin)
 
OutputDatabeginOutputData (vector< OutputData *>::iterator &i)
 
OutputDatanextOutputData (vector< OutputData *>::iterator &i)
 

Detailed Description

Definition at line 61 of file SpatialStatistics.hpp.

Constructor & Destructor Documentation

◆ SpatialStatistics()

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

◆ ~SpatialStatistics()

Member Function Documentation

◆ addOutputData()

void OpenMD::SpatialStatistics::addOutputData ( OutputData dat)
inline

Definition at line 68 of file SpatialStatistics.hpp.

◆ getBin()

virtual int OpenMD::SpatialStatistics::getBin ( Vector3d  pos)
pure virtual

Implemented in OpenMD::ShellStatistics, and OpenMD::SlabStatistics.

Referenced by processFrame().

◆ process()

◆ processFrame()

◆ processStuntDouble()

virtual void OpenMD::SpatialStatistics::processStuntDouble ( StuntDouble sd,
int  bin 
)
pure virtual

Implemented in OpenMD::RNEMDRTheta, OpenMD::RNEMDR, and OpenMD::RNEMDZ.

Referenced by processFrame().

Member Data Documentation

◆ currentSnapshot_

Snapshot* OpenMD::SpatialStatistics::currentSnapshot_
protected

◆ evaluator_

◆ nProcessed_

int OpenMD::SpatialStatistics::nProcessed_
protected

Definition at line 77 of file SpatialStatistics.hpp.

Referenced by process().

◆ selectionScript_

string OpenMD::SpatialStatistics::selectionScript_
protected

Definition at line 78 of file SpatialStatistics.hpp.

◆ seleMan_


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