OpenMD::ShellStatistics Class Reference

Inheritance diagram for OpenMD::ShellStatistics:

Public Member Functions
	ShellStatistics (SimInfo *info, const std::string &filename, const std::string &sele, const std::string &comsele, int nbins, RealType binWidth)
virtual void	processFrame (int frame)
virtual int	getBin (Vector3d pos)
void	setCoordinateOrigin (Vector3d co)
Public Member Functions inherited from OpenMD::SpatialStatistics
	SpatialStatistics (SimInfo *info, const std::string &filename, const std::string &sele, int nbins)
virtual void	process ()
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
Vector3d	coordinateOrigin_
RealType	binWidth_
std::string	comSele_
SelectionManager	comSeleMan_
SelectionEvaluator	comEvaluator_
Protected Attributes inherited from OpenMD::SpatialStatistics
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 95 of file SpatialStatistics.hpp.

Constructor & Destructor Documentation

ShellStatistics()

OpenMD::ShellStatistics::ShellStatistics	(	SimInfo *	info,
		const std::string &	filename,
		const std::string &	sele,
		const std::string &	comsele,
		int	nbins,
		RealType	binWidth )

Definition at line 149 of file SpatialStatistics.cpp.

Member Function Documentation

getBin()

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

virtual

Implements OpenMD::SpatialStatistics.

Definition at line 219 of file SpatialStatistics.cpp.

processFrame()

void OpenMD::ShellStatistics::processFrame ( int frame )

virtual

Reimplemented from OpenMD::SpatialStatistics.

Definition at line 199 of file SpatialStatistics.cpp.

setCoordinateOrigin()

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

inline

Definition at line 103 of file SpatialStatistics.hpp.

Member Data Documentation

binWidth_

RealType OpenMD::ShellStatistics::binWidth_

protected

Definition at line 107 of file SpatialStatistics.hpp.

comEvaluator_

SelectionEvaluator OpenMD::ShellStatistics::comEvaluator_

protected

Definition at line 110 of file SpatialStatistics.hpp.

comSele_

std::string OpenMD::ShellStatistics::comSele_

protected

Definition at line 108 of file SpatialStatistics.hpp.

comSeleMan_

SelectionManager OpenMD::ShellStatistics::comSeleMan_

protected

Definition at line 109 of file SpatialStatistics.hpp.

coordinateOrigin_

Vector3d OpenMD::ShellStatistics::coordinateOrigin_

protected

Definition at line 106 of file SpatialStatistics.hpp.

---

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

• applications/staticProps/SpatialStatistics.hpp
• applications/staticProps/SpatialStatistics.cpp