OpenMD::P2R Class Reference

Inheritance diagram for OpenMD::P2R:

Public Member Functions
	P2R (SimInfo *info, const string &filename, const string &sele1, unsigned int nbins)
	P2R (SimInfo *info, const string &filename, const string &sele1, const string &sele2, unsigned int nbins)
	P2R (SimInfo *info, const string &filename, const string &sele, const int seleOffset, unsigned int nbins)
	P2R (SimInfo *info, const string &filename, const string &sele, const int seleOffset, const int seleOffset2, unsigned int nbins)
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)

Protected Member Functions
void	processHistogram ()
void	writeP2R ()
Protected Member Functions inherited from OpenMD::StaticAnalyser
virtual void	writeOutput ()

Protected Attributes
Snapshot *	currentSnapshot_
bool	doVect_
bool	doOffset_
bool	doOffset2_
string	selectionScript1_
string	selectionScript2_
SelectionManager	seleMan1_
SelectionManager	seleMan2_
SelectionEvaluator	evaluator1_
SelectionEvaluator	evaluator2_
int	seleOffset_ {}
int	seleOffset2_ {}
int	nProcessed_ {}
RealType	P2_ {}
int	count_ {}
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 55 of file P2R.hpp.

Constructor & Destructor Documentation

P2R() [1/4]

OpenMD::P2R::P2R	(	SimInfo *	info,
		const string &	filename,
		const string &	sele1,
		unsigned int	nbins )

Definition at line 62 of file P2R.cpp.

P2R() [2/4]

OpenMD::P2R::P2R	(	SimInfo *	info,
		const string &	filename,
		const string &	sele1,
		const string &	sele2,
		unsigned int	nbins )

Definition at line 80 of file P2R.cpp.

P2R() [3/4]

OpenMD::P2R::P2R	(	SimInfo *	info,
		const string &	filename,
		const string &	sele,
		const int	seleOffset,
		unsigned int	nbins )

Definition at line 104 of file P2R.cpp.

P2R() [4/4]

OpenMD::P2R::P2R	(	SimInfo *	info,
		const string &	filename,
		const string &	sele,
		const int	seleOffset,
		const int	seleOffset2,
		unsigned int	nbins )

Definition at line 123 of file P2R.cpp.

Member Function Documentation

process()

void OpenMD::P2R::process ( )

virtual

Implements OpenMD::StaticAnalyser.

Definition at line 143 of file P2R.cpp.

processHistogram()

void OpenMD::P2R::processHistogram ( )

protected

Definition at line 276 of file P2R.cpp.

writeP2R()

void OpenMD::P2R::writeP2R ( )

protected

Definition at line 280 of file P2R.cpp.

Member Data Documentation

count_

int OpenMD::P2R::count_ {}

protected

Definition at line 89 of file P2R.hpp.

currentSnapshot_

Snapshot* OpenMD::P2R::currentSnapshot_

protected

Definition at line 72 of file P2R.hpp.

doOffset2_

bool OpenMD::P2R::doOffset2_

protected

Definition at line 76 of file P2R.hpp.

doOffset_

bool OpenMD::P2R::doOffset_

protected

Definition at line 75 of file P2R.hpp.

doVect_

bool OpenMD::P2R::doVect_

protected

Definition at line 74 of file P2R.hpp.

evaluator1_

SelectionEvaluator OpenMD::P2R::evaluator1_

protected

Definition at line 81 of file P2R.hpp.

evaluator2_

SelectionEvaluator OpenMD::P2R::evaluator2_

protected

Definition at line 82 of file P2R.hpp.

nProcessed_

int OpenMD::P2R::nProcessed_ {}

protected

Definition at line 86 of file P2R.hpp.

P2_

RealType OpenMD::P2R::P2_ {}

protected

Definition at line 88 of file P2R.hpp.

selectionScript1_

string OpenMD::P2R::selectionScript1_

protected

Definition at line 77 of file P2R.hpp.

selectionScript2_

string OpenMD::P2R::selectionScript2_

protected

Definition at line 78 of file P2R.hpp.

seleMan1_

SelectionManager OpenMD::P2R::seleMan1_

protected

Definition at line 79 of file P2R.hpp.

seleMan2_

SelectionManager OpenMD::P2R::seleMan2_

protected

Definition at line 80 of file P2R.hpp.

seleOffset2_

int OpenMD::P2R::seleOffset2_ {}

protected

Definition at line 84 of file P2R.hpp.

seleOffset_

int OpenMD::P2R::seleOffset_ {}

protected

Definition at line 83 of file P2R.hpp.

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

• applications/staticProps/P2R.hpp
• applications/staticProps/P2R.cpp