OpenMD 3.0
Molecular Dynamics in the Open
Loading...
Searching...
No Matches
OpenMD::SpatialStatistics Class Referenceabstract
+ Inheritance diagram for OpenMD::SpatialStatistics:

Public Member Functions

 SpatialStatistics (SimInfo *info, const std::string &filename, const std::string &sele, int nbins)
 
virtual void process ()
 
virtual void processFrame (int frame)
 
virtual int getBin (Vector3d pos)=0
 
virtual void processStuntDouble (StuntDouble *sd, int bin)=0
 
- Public Member Functions inherited from OpenMD::StaticAnalyser
 StaticAnalyser (SimInfo *info, const std::string &filename, unsigned int nbins)
 
void setOutputName (const std::string &filename)
 
const std::string & getOutputFileName () const
 
void setStep (int step)
 
int getStep () const
 
const std::string & getAnalysisType () const
 
void setAnalysisType (const std::string &type)
 
void setParameterString (const std::string &params)
 

Protected Attributes

SnapshotcurrentSnapshot_
 
int nProcessed_
 
std::string selectionScript_
 
SelectionEvaluator evaluator_
 
SelectionManager seleMan_
 
- Protected Attributes inherited from OpenMD::StaticAnalyser
SimInfoinfo_ {nullptr}
 
std::string dumpFilename_
 
int step_
 
unsigned int nBins_
 
std::string outputFilename_
 
std::string analysisType_
 
std::string paramString_
 
std::vector< OutputDatadata_
 
std::vector< AtomType * > outputTypes_
 

Additional Inherited Members

- Protected Member Functions inherited from OpenMD::StaticAnalyser
virtual void writeOutput ()
 

Detailed Description

Definition at line 62 of file SpatialStatistics.hpp.

Constructor & Destructor Documentation

◆ SpatialStatistics()

OpenMD::SpatialStatistics::SpatialStatistics ( SimInfo * info,
const std::string & filename,
const std::string & sele,
int nbins )

Definition at line 63 of file SpatialStatistics.cpp.

Member Function Documentation

◆ process()

void OpenMD::SpatialStatistics::process ( )
virtual

Implements OpenMD::StaticAnalyser.

Definition at line 76 of file SpatialStatistics.cpp.

◆ processFrame()

void OpenMD::SpatialStatistics::processFrame ( int frame)
virtual

Definition at line 90 of file SpatialStatistics.cpp.

Member Data Documentation

◆ currentSnapshot_

Snapshot* OpenMD::SpatialStatistics::currentSnapshot_
protected

Definition at line 73 of file SpatialStatistics.hpp.

◆ evaluator_

SelectionEvaluator OpenMD::SpatialStatistics::evaluator_
protected

Definition at line 76 of file SpatialStatistics.hpp.

◆ nProcessed_

int OpenMD::SpatialStatistics::nProcessed_
protected

Definition at line 74 of file SpatialStatistics.hpp.

◆ selectionScript_

std::string OpenMD::SpatialStatistics::selectionScript_
protected

Definition at line 75 of file SpatialStatistics.hpp.

◆ seleMan_

SelectionManager OpenMD::SpatialStatistics::seleMan_
protected

Definition at line 77 of file SpatialStatistics.hpp.


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