OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::InteractionTimeCorrFunc Class Referenceabstract

#include <InteractionTimeCorrFunc.hpp>

Inheritance diagram for OpenMD::InteractionTimeCorrFunc:
OpenMD::TimeCorrFunc OpenMD::DynamicProperty OpenMD::BondCorrFunc

Public Member Functions

 InteractionTimeCorrFunc (SimInfo *info, const std::string &filename, const std::string &sele1, int storageLayout, long long int memSize)
 
- Public Member Functions inherited from OpenMD::TimeCorrFunc
 TimeCorrFunc (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, int storageLayout, long long int memSize)
 
virtual ~TimeCorrFunc ()
 
virtual void doCorrelate ()
 
const std::string & getCorrFuncType () const
 
void setCorrFuncType (const std::string &type)
 
void setParameterString (const std::string &params)
 
- Public Member Functions inherited from OpenMD::DynamicProperty
 DynamicProperty ()
 
virtual ~DynamicProperty ()
 
void setOutputName (const std::string &filename)
 
const std::string & getOutputFileName () const
 

Private Member Functions

virtual void correlateFrames (int frame1, int frame2)=0
 
virtual RealType calcCorrVal (int frame1, int frame2, ShortRangeInteraction *sri)=0
 

Private Attributes

int nSelected_
 

Additional Inherited Members

- Protected Member Functions inherited from OpenMD::TimeCorrFunc
virtual void preCorrelate ()
 
virtual void postCorrelate ()
 
- Protected Attributes inherited from OpenMD::TimeCorrFunc
RealType deltaTime_
 
int nTimeBins_
 
std::vector< RealType > histogram_
 
std::vector< int > count_
 
std::vector< RealType > time_
 
SimInfoinfo_
 
int storageLayout_
 
long long int memSize_
 
std::string dumpFilename_
 
SelectionManager seleMan1_
 
SelectionManager seleMan2_
 
std::string selectionScript1_
 
std::string selectionScript2_
 
SelectionEvaluator evaluator1_
 
SelectionEvaluator evaluator2_
 
std::string corrFuncType_
 
std::string paramString_
 
BlockSnapshotManagerbsMan_
 
- Protected Attributes inherited from OpenMD::DynamicProperty
std::string outputFilename_
 

Detailed Description

Definition at line 50 of file InteractionTimeCorrFunc.hpp.

Constructor & Destructor Documentation

◆ InteractionTimeCorrFunc()

OpenMD::InteractionTimeCorrFunc::InteractionTimeCorrFunc ( SimInfo info,
const std::string &  filename,
const std::string &  sele1,
int  storageLayout,
long long int  memSize 
)

Definition at line 47 of file InteractionTimeCorrFunc.cpp.

Member Function Documentation

◆ calcCorrVal()

virtual RealType OpenMD::InteractionTimeCorrFunc::calcCorrVal ( int  frame1,
int  frame2,
ShortRangeInteraction sri 
)
privatepure virtual

Implemented in OpenMD::BondCorrFunc.

◆ correlateFrames()

virtual void OpenMD::InteractionTimeCorrFunc::correlateFrames ( int  frame1,
int  frame2 
)
privatepure virtual

Implements OpenMD::TimeCorrFunc.

Implemented in OpenMD::BondCorrFunc.

Member Data Documentation

◆ nSelected_

int OpenMD::InteractionTimeCorrFunc::nSelected_
private

Definition at line 60 of file InteractionTimeCorrFunc.hpp.


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