OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::ShellStatistics Class Reference

#include <SpatialStatistics.hpp>

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

Public Member Functions

 ShellStatistics (SimInfo *info, const string &filename, const string &sele, int nbins)
virtual ~ShellStatistics ()
virtual int getBin (Vector3d pos)
void setCoordinateOrigin (Vector3d co)
void setBinWidth (RealType bw)
- Public Member Functions inherited from OpenMD::SpatialStatistics
 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 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

Vector3d coordinateOrigin_
RealType binWidth_
- Protected Attributes inherited from OpenMD::SpatialStatistics
int nProcessed_
string selectionScript_
SelectionEvaluator evaluator_
SelectionManager seleMan_
- Protected Attributes inherited from OpenMD::StaticAnalyser
std::string dumpFilename_
std::string outputFilename_
int step_
std::string analysisType_
std::string paramString_
unsigned int nBins_
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 100 of file SpatialStatistics.hpp.

Constructor & Destructor Documentation

◆ ShellStatistics()

◆ ~ShellStatistics()

OpenMD::ShellStatistics::~ShellStatistics ( )

Definition at line 225 of file SpatialStatistics.cpp.

Member Function Documentation

◆ getBin()

int OpenMD::ShellStatistics::getBin ( Vector3d  pos)

◆ setBinWidth()

void OpenMD::ShellStatistics::setBinWidth ( RealType  bw)

Definition at line 108 of file SpatialStatistics.hpp.

◆ setCoordinateOrigin()

void OpenMD::ShellStatistics::setCoordinateOrigin ( Vector3d  co)

Definition at line 107 of file SpatialStatistics.hpp.

Member Data Documentation

◆ binWidth_

RealType OpenMD::ShellStatistics::binWidth_

◆ coordinateOrigin_

Vector3d OpenMD::ShellStatistics::coordinateOrigin_

◆ r_

OutputData* OpenMD::ShellStatistics::r_

Definition at line 111 of file SpatialStatistics.hpp.

Referenced by ShellStatistics().

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