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

#include <ParticleTimeCorrFunc.hpp>

Inheritance diagram for OpenMD::ParticleTimeCorrFunc:
OpenMD::TimeCorrFunc OpenMD::DynamicProperty OpenMD::COHZ OpenMD::DipoleCorrFunc OpenMD::DirectionalRCorrFunc OpenMD::FreqFlucCorrFunc OpenMD::LegendreCorrFunc OpenMD::LegendreCorrFuncZ OpenMD::ThetaCorrFunc

Public Member Functions

 ParticleTimeCorrFunc (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, 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)
virtual RealType calcCorrVal (int frame1, int frame2, StuntDouble *sd1, StuntDouble *sd2)=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 49 of file ParticleTimeCorrFunc.hpp.

Constructor & Destructor Documentation

◆ ParticleTimeCorrFunc()

OpenMD::ParticleTimeCorrFunc::ParticleTimeCorrFunc ( SimInfo info,
const std::string &  filename,
const std::string &  sele1,
const std::string &  sele2,
int  storageLayout,
long long int  memSize 

Member Function Documentation

◆ calcCorrVal()

virtual RealType OpenMD::ParticleTimeCorrFunc::calcCorrVal ( int  frame1,
int  frame2,
StuntDouble sd1,
StuntDouble sd2 
privatepure virtual

◆ correlateFrames()

Member Data Documentation

◆ nSelected_

int OpenMD::ParticleTimeCorrFunc::nSelected_

Definition at line 59 of file ParticleTimeCorrFunc.hpp.

Referenced by ParticleTimeCorrFunc().

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