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_
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_
- 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_

Definition at line 60 of file InteractionTimeCorrFunc.hpp.

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