OpenMD::GofRAngle Class Reference

Inheritance diagram for OpenMD::GofRAngle:

Public Member Functions
	GofRAngle (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, RealType len, int nrbins, int nangleBins)
	GofRAngle (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, const std::string &sele3, RealType len, int nrbins, int nangleBins)
int	getNRBins ()
RealType	getLength ()
int	getNAngleBins ()
Public Member Functions inherited from OpenMD::RadialDistrFunc
	RadialDistrFunc (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, unsigned int nbins)
void	process ()
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
RealType	deltaCosAngle_
int	nAngleBins_
RealType	len_
int	nRBins_
RealType	deltaR_
bool	doSele3_
std::string	selectionScript3_
SelectionManager	seleMan3_
SelectionEvaluator	evaluator3_
std::vector< std::vector< int > >	histogram_
std::vector< std::vector< RealType > >	avgGofr_
int	npairs_
Protected Attributes inherited from OpenMD::RadialDistrFunc
Snapshot *	currentSnapshot_
std::string	selectionScript1_
std::string	selectionScript2_
int	nProcessed_
SelectionEvaluator	evaluator1_
SelectionEvaluator	evaluator2_
SelectionManager	seleMan1_
SelectionManager	seleMan2_
SelectionManager	sele1_minus_common_
SelectionManager	sele2_minus_common_
SelectionManager	common_
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::RadialDistrFunc
virtual void	postProcess ()
int	getNPairs ()
int	getNSelected1 ()
int	getNSelected2 ()
Protected Member Functions inherited from OpenMD::StaticAnalyser
virtual void	writeOutput ()

Detailed Description

Definition at line 52 of file GofRAngle.hpp.

Constructor & Destructor Documentation

GofRAngle() [1/2]

OpenMD::GofRAngle::GofRAngle	(	SimInfo *	info,
		const std::string &	filename,
		const std::string &	sele1,
		const std::string &	sele2,
		RealType	len,
		int	nrbins,
		int	nangleBins )

Definition at line 58 of file GofRAngle.cpp.

GofRAngle() [2/2]

OpenMD::GofRAngle::GofRAngle	(	SimInfo *	info,
		const std::string &	filename,
		const std::string &	sele1,
		const std::string &	sele2,
		const std::string &	sele3,
		RealType	len,
		int	nrbins,
		int	nangleBins )

Definition at line 83 of file GofRAngle.cpp.

Member Function Documentation

getLength()

RealType OpenMD::GofRAngle::getLength ( )

inline

Definition at line 64 of file GofRAngle.hpp.

getNAngleBins()

int OpenMD::GofRAngle::getNAngleBins ( )

inline

Definition at line 66 of file GofRAngle.hpp.

getNRBins()

int OpenMD::GofRAngle::getNRBins ( )

inline

Definition at line 62 of file GofRAngle.hpp.

Member Data Documentation

avgGofr_

std::vector<std::vector<RealType> > OpenMD::GofRAngle::avgGofr_

protected

Definition at line 97 of file GofRAngle.hpp.

deltaCosAngle_

RealType OpenMD::GofRAngle::deltaCosAngle_

protected

Definition at line 85 of file GofRAngle.hpp.

deltaR_

RealType OpenMD::GofRAngle::deltaR_

protected

Definition at line 89 of file GofRAngle.hpp.

doSele3_

bool OpenMD::GofRAngle::doSele3_

protected

Definition at line 91 of file GofRAngle.hpp.

evaluator3_

SelectionEvaluator OpenMD::GofRAngle::evaluator3_

protected

Definition at line 94 of file GofRAngle.hpp.

histogram_

std::vector<std::vector<int> > OpenMD::GofRAngle::histogram_

protected

Definition at line 96 of file GofRAngle.hpp.

len_

RealType OpenMD::GofRAngle::len_

protected

Definition at line 87 of file GofRAngle.hpp.

nAngleBins_

int OpenMD::GofRAngle::nAngleBins_

protected

Definition at line 86 of file GofRAngle.hpp.

npairs_

int OpenMD::GofRAngle::npairs_

protected

Definition at line 98 of file GofRAngle.hpp.

nRBins_

int OpenMD::GofRAngle::nRBins_

protected

Definition at line 88 of file GofRAngle.hpp.

selectionScript3_

std::string OpenMD::GofRAngle::selectionScript3_

protected

Definition at line 92 of file GofRAngle.hpp.

seleMan3_

SelectionManager OpenMD::GofRAngle::seleMan3_

protected

Definition at line 93 of file GofRAngle.hpp.

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

• applications/staticProps/GofRAngle.hpp
• applications/staticProps/GofRAngle.cpp