OpenMD::HBondR Class Reference

Hydrogen Bonding density binned by r. More...

#include <HBondR.hpp>

Inheritance diagram for OpenMD::HBondR:

Public Member Functions
	HBondR (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, const std::string &sele3, double rCut, RealType len, double thetaCut, int nrbins)
virtual 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::StaticAnalyser
virtual void	writeOutput ()
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

Hydrogen Bonding density binned by r.

Computes hydrogen bonding density

Definition at line 61 of file HBondR.hpp.

Constructor & Destructor Documentation

HBondR()

OpenMD::HBondR::HBondR	(	SimInfo *	info,
		const std::string &	filename,
		const std::string &	sele1,
		const std::string &	sele2,
		const std::string &	sele3,
		double	rCut,
		RealType	len,
		double	thetaCut,
		int	nrbins )

Definition at line 58 of file HBondR.cpp.

Member Function Documentation

process()

void OpenMD::HBondR::process ( )

virtual

Implements OpenMD::StaticAnalyser.

Definition at line 101 of file HBondR.cpp.

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

• applications/staticProps/HBondR.hpp
• applications/staticProps/HBondR.cpp