OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::ThetaCorrFunc Class Reference

#include <ThetaCorrFunc.hpp>

Inheritance diagram for OpenMD::ThetaCorrFunc:
OpenMD::ParticleTimeCorrFunc OpenMD::TimeCorrFunc OpenMD::DynamicProperty

Public Member Functions

 ThetaCorrFunc (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, long long int memSize)
 
- Public Member Functions inherited from OpenMD::ParticleTimeCorrFunc
 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 RealType calcCorrVal (int frame1, int frame2, StuntDouble *sd1, StuntDouble *sd2)
 

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 ThetaCorrFunc.hpp.

Constructor & Destructor Documentation

◆ ThetaCorrFunc()

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

Member Function Documentation

◆ calcCorrVal()

RealType OpenMD::ThetaCorrFunc::calcCorrVal ( int  frame1,
int  frame2,
StuntDouble sd1,
StuntDouble sd2 
)
privatevirtual

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