OpenMD::SystemCCF< T > Class Template Reference

Inheritance diagram for OpenMD::SystemCCF< T >:

Public Member Functions
	SystemCCF (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2)
Public Member Functions inherited from OpenMD::CrossCorrFunc< T >
	CrossCorrFunc (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, int storageLayout)
	CrossCorrFunc (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2)
Public Member Functions inherited from OpenMD::MultipassCorrFunc< T >
	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< T >
	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)

Protected Member Functions
virtual void	computeProperty1 (int frame)=0
virtual void	computeProperty2 (int frame)=0
virtual T	calcCorrVal (int frame1, int frame2)=0
virtual int	computeProperty1 (int, Molecule *)
virtual int	computeProperty1 (int, StuntDouble *)
virtual int	computeProperty1 (int, Bond *)
virtual int	computeProperty2 (int, Molecule *)
virtual int	computeProperty2 (int, StuntDouble *)
virtual int	computeProperty2 (int, Bond *)
T	calcCorrVal (int, int, int, int)
Protected Member Functions inherited from OpenMD::MultipassCorrFunc< T >
virtual void	preCorrelate ()
virtual void	correlation ()
virtual void	postCorrelate ()
virtual void	computeFrame (int frame)
virtual void	validateSelection (SelectionManager &seleMan)
virtual void	correlateFrames (int frame1, int frame2, int timeBin)
virtual void	writeCorrelate ()
void	writeCorrelate ()
void	writeCorrelate ()
Protected Member Functions inherited from OpenMD::TimeCorrFunc< T >
virtual void	preCorrelate ()
virtual void	correlation ()
virtual void	postCorrelate ()
virtual void	computeFrame (int frame)
virtual void	validateSelection (SelectionManager &seleMan)
virtual void	correlateFrames (int frame1, int frame2, int timeBin)
virtual void	writeCorrelate ()
void	writeCorrelate ()
void	writeCorrelate ()

Additional Inherited Members
Protected Attributes inherited from OpenMD::MultipassCorrFunc< T >
int	storageLayout_
RealType	deltaTime_
unsigned int	nTimeBins_
int	nFrames_
std::vector< T >	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< T >
RealType	deltaTime_
unsigned int	nTimeBins_
int	nFrames_
std::vector< T >	histogram_
std::vector< int >	count_
std::vector< RealType >	times_
SimInfo *	info_ {nullptr}
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

template<typename T>
class OpenMD::SystemCCF< T >

Definition at line 207 of file TimeCorrFunc.hpp.

Constructor & Destructor Documentation

SystemCCF()

template<typename T >

OpenMD::SystemCCF< T >::SystemCCF	(	SimInfo *	info,
		const std::string &	filename,
		const std::string &	sele1,
		const std::string &	sele2 )

Definition at line 531 of file TimeCorrFunc.cpp.

Member Function Documentation

calcCorrVal() [1/2]

template<typename T >

virtual T OpenMD::SystemCCF< T >::calcCorrVal ( int frame1, int frame2 )

protectedpure virtual

Implements OpenMD::TimeCorrFunc< T >.

calcCorrVal() [2/2]

template<typename T >

T OpenMD::SystemCCF< T >::calcCorrVal ( int , int , int , int  )

inlineprotectedvirtual

Implements OpenMD::MultipassCorrFunc< T >.

Definition at line 225 of file TimeCorrFunc.hpp.

computeProperty1() [1/4]

template<typename T >

virtual void OpenMD::SystemCCF< T >::computeProperty1 ( int frame )

protectedpure virtual

Implements OpenMD::CrossCorrFunc< T >.

computeProperty1() [2/4]

template<typename T >

virtual int OpenMD::SystemCCF< T >::computeProperty1 ( int , Bond *  )

inlineprotectedvirtual

Implements OpenMD::CrossCorrFunc< T >.

Definition at line 219 of file TimeCorrFunc.hpp.

computeProperty1() [3/4]

template<typename T >

virtual int OpenMD::SystemCCF< T >::computeProperty1 ( int , Molecule *  )

inlineprotectedvirtual

Implements OpenMD::CrossCorrFunc< T >.

Definition at line 217 of file TimeCorrFunc.hpp.

computeProperty1() [4/4]

template<typename T >

virtual int OpenMD::SystemCCF< T >::computeProperty1 ( int , StuntDouble *  )

inlineprotectedvirtual

Implements OpenMD::CrossCorrFunc< T >.

Definition at line 218 of file TimeCorrFunc.hpp.

computeProperty2() [1/4]

template<typename T >

virtual void OpenMD::SystemCCF< T >::computeProperty2 ( int frame )

protectedpure virtual

Implements OpenMD::CrossCorrFunc< T >.

computeProperty2() [2/4]

template<typename T >

virtual int OpenMD::SystemCCF< T >::computeProperty2 ( int , Bond *  )

inlineprotectedvirtual

Implements OpenMD::CrossCorrFunc< T >.

Definition at line 223 of file TimeCorrFunc.hpp.

computeProperty2() [3/4]

template<typename T >

virtual int OpenMD::SystemCCF< T >::computeProperty2 ( int , Molecule *  )

inlineprotectedvirtual

Implements OpenMD::CrossCorrFunc< T >.

Definition at line 221 of file TimeCorrFunc.hpp.

computeProperty2() [4/4]

template<typename T >

virtual int OpenMD::SystemCCF< T >::computeProperty2 ( int , StuntDouble *  )

inlineprotectedvirtual

Implements OpenMD::CrossCorrFunc< T >.

Definition at line 222 of file TimeCorrFunc.hpp.

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

• applications/dynamicProps/TimeCorrFunc.hpp
• applications/dynamicProps/TimeCorrFunc.cpp