OpenMD 3.1
Molecular Dynamics in the Open
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Public Member Functions | Protected Member Functions | List of all members
OpenMD::MPFrameTimeCorrFunc< T > Class Template Referenceabstract
+ Inheritance diagram for OpenMD::MPFrameTimeCorrFunc< T >:

Public Member Functions

 MPFrameTimeCorrFunc (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, int storageLayout)
 
- 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
 

Protected Member Functions

virtual void computeProperty (int frame)=0
 
virtual T calcCorrVal (int frame1, int frame2)=0
 
virtual void correlateFrames (int frame1, int frame2, int timeBin)
 
virtual int computeProperty1 (int frame, StuntDouble *sd)
 
virtual int computeProperty2 (int frame, StuntDouble *sd)
 
virtual void computeFrame (int frame)
 
- Protected Member Functions inherited from OpenMD::MultipassCorrFunc< T >
virtual void preCorrelate ()
 
virtual void correlation ()
 
virtual void postCorrelate ()
 
virtual void validateSelection (SelectionManager &seleMan)
 
virtual T calcCorrVal (int frame1, int frame2, int id1, int id2)=0
 
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_
 

Detailed Description

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

Definition at line 50 of file MPFrameTimeCorrFunc.hpp.

Constructor & Destructor Documentation

◆ MPFrameTimeCorrFunc()

template<typename T >
OpenMD::MPFrameTimeCorrFunc< T >::MPFrameTimeCorrFunc ( SimInfo * info,
const std::string & filename,
const std::string & sele1,
const std::string & sele2,
int storageLayout )

Definition at line 49 of file MPFrameTimeCorrFunc.cpp.

Member Function Documentation

◆ computeFrame()

template<typename T >
void OpenMD::MPFrameTimeCorrFunc< T >::computeFrame ( int frame)
protectedvirtual

Reimplemented from OpenMD::MultipassCorrFunc< T >.

Definition at line 59 of file MPFrameTimeCorrFunc.cpp.

◆ computeProperty1()

template<typename T >
virtual int OpenMD::MPFrameTimeCorrFunc< T >::computeProperty1 ( int frame,
StuntDouble * sd )
inlineprotectedvirtual

Implements OpenMD::MultipassCorrFunc< T >.

Definition at line 60 of file MPFrameTimeCorrFunc.hpp.

◆ computeProperty2()

template<typename T >
virtual int OpenMD::MPFrameTimeCorrFunc< T >::computeProperty2 ( int frame,
StuntDouble * sd )
inlineprotectedvirtual

Implements OpenMD::MultipassCorrFunc< T >.

Definition at line 61 of file MPFrameTimeCorrFunc.hpp.

◆ correlateFrames()

template<typename T >
void OpenMD::MPFrameTimeCorrFunc< T >::correlateFrames ( int frame1,
int frame2,
int timeBin )
protectedvirtual

Reimplemented from OpenMD::MultipassCorrFunc< T >.

Definition at line 75 of file MPFrameTimeCorrFunc.cpp.

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