OpenMD::GofRTheta Class Reference

Inheritance diagram for OpenMD::GofRTheta:

Public Member Functions
	GofRTheta (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, RealType len, int nrbins, int nangleBins)
	GofRTheta (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, const std::string &sele3, RealType len, int nrbins, int nangleBins)
Public Member Functions inherited from OpenMD::GofRAngle
	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)

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 ()
Protected Attributes inherited from OpenMD::GofRAngle
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_

Detailed Description

Definition at line 104 of file GofRAngle.hpp.

Constructor & Destructor Documentation

GofRTheta() [1/2]

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

inline

Definition at line 106 of file GofRAngle.hpp.

GofRTheta() [2/2]

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

inline

Definition at line 112 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