OpenMD::RotAngleDisplacement Class Reference

Inheritance diagram for OpenMD::RotAngleDisplacement:

Public Member Functions
	RotAngleDisplacement (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2)
Public Member Functions inherited from OpenMD::MoleculeACF< Vector3d >
	MoleculeACF (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2)
Public Member Functions inherited from OpenMD::AutoCorrFunc< Vector3d >
	AutoCorrFunc (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, int storageLayout)
	AutoCorrFunc (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2)
Public Member Functions inherited from OpenMD::MultipassCorrFunc< Vector3d >
	MultipassCorrFunc (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, int storageLayout)
virtual void	doCorrelate ()
const std::string &	getCorrFuncType () const
void	setCorrFuncType (const std::string &type)
void	setParameterString (const std::string &params)
void	setLabelString (const std::string &label)
Public Member Functions inherited from OpenMD::DynamicProperty
void	setOutputName (const std::string &filename)
const std::string &	getOutputFileName () const
Public Member Functions inherited from OpenMD::TimeCorrFunc< Vector3d >
	TimeCorrFunc (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2)
virtual void	doCorrelate ()
const std::string &	getCorrFuncType () const
void	setCorrFuncType (const std::string &type)
void	setParameterString (const std::string &params)
void	setLabelString (const std::string &label)

Additional Inherited Members
Protected Member Functions inherited from OpenMD::MoleculeACF< Vector3d >
virtual void	computeProperty1 (int)
virtual int	computeProperty1 (int, StuntDouble *)
virtual int	computeProperty1 (int, Bond *)
virtual Vector3d	calcCorrVal (int, int)
virtual void	computeProperty2 (int)
virtual int	computeProperty2 (int, Molecule *)
virtual int	computeProperty2 (int, StuntDouble *)
virtual int	computeProperty2 (int, Bond *)
Protected Member Functions inherited from OpenMD::MultipassCorrFunc< Vector3d >
virtual void	preCorrelate ()
virtual void	correlation ()
void	writeCorrelate ()
void	writeCorrelate ()
Protected Member Functions inherited from OpenMD::TimeCorrFunc< Vector3d >
virtual void	preCorrelate ()
virtual void	correlation ()
void	writeCorrelate ()
void	writeCorrelate ()
Protected Attributes inherited from OpenMD::MultipassCorrFunc< Vector3d >
int	storageLayout_
RealType	deltaTime_
unsigned int	nTimeBins_
int	nFrames_
std::vector< Vector3d >	histogram_
std::vector< int >	count_
std::vector< RealType >	times_
bool	uniqueSelections_
SimInfo *	info_
DumpReader *	reader_
std::string	dumpFilename_
SelectionManager	seleMan1_
SelectionManager	seleMan2_
Snapshot *	currentSnapshot_
std::string	selectionScript1_
std::string	selectionScript2_
SelectionEvaluator	evaluator1_
SelectionEvaluator	evaluator2_
bool	autoCorrFunc_
std::string	corrFuncType_
std::string	paramString_
std::string	labelString_
std::vector< std::vector< int > >	sele1ToIndex_
std::vector< std::vector< int > >	sele2ToIndex_
ProgressBar *	progressBar_
Protected Attributes inherited from OpenMD::DynamicProperty
std::string	outputFilename_
Protected Attributes inherited from OpenMD::TimeCorrFunc< Vector3d >
RealType	deltaTime_
unsigned int	nTimeBins_
int	nFrames_
std::vector< Vector3d >	histogram_
std::vector< int >	count_
std::vector< RealType >	times_
SimInfo *	info_
DumpReader *	reader_
std::string	dumpFilename_
SelectionManager	seleMan1_
SelectionManager	seleMan2_
Snapshot *	currentSnapshot_
std::string	selectionScript1_
std::string	selectionScript2_
SelectionEvaluator	evaluator1_
SelectionEvaluator	evaluator2_
bool	uniqueSelections_
bool	autoCorrFunc_
bool	doSystemProperties_
bool	doMolecularProperties_
bool	doObjectProperties_
bool	doAtomicProperties_
bool	doBondProperties_
std::string	corrFuncType_
std::string	paramString_
std::string	labelString_
std::vector< std::vector< int > >	sele1ToIndex_
std::vector< std::vector< int > >	sele2ToIndex_
ProgressBarPtr	progressBar_

Detailed Description

Definition at line 54 of file RotAngleDisplacement.hpp.

Constructor & Destructor Documentation

RotAngleDisplacement()

OpenMD::RotAngleDisplacement::RotAngleDisplacement	(	SimInfo *	info,
		const std::string &	filename,
		const std::string &	sele1,
		const std::string &	sele2 )

Definition at line 53 of file RotAngleDisplacement.cpp.

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

• applications/dynamicProps/RotAngleDisplacement.hpp
• applications/dynamicProps/RotAngleDisplacement.cpp