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

#include <SelectionCorrFunc.hpp>

Inheritance diagram for OpenMD::SelectionCorrFunc:
OpenMD::TimeCorrFunc OpenMD::DynamicProperty

Public Member Functions

 SelectionCorrFunc (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, 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)

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 SelectionCorrFunc.hpp.

Constructor & Destructor Documentation

◆ SelectionCorrFunc()

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

Member Function Documentation

◆ correlateFrames()

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