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

#include <RNEMDStats.hpp>

Inheritance diagram for OpenMD::RNEMDZ:
OpenMD::SlabStatistics OpenMD::SpatialStatistics OpenMD::StaticAnalyser

Public Member Functions

 RNEMDZ (SimInfo *info, const std::string &filename, const std::string &sele, int nzbins, int axis=2)
 
void processFrame (int frame)
 
void processStuntDouble (StuntDouble *sd, int bin)
 
- Public Member Functions inherited from OpenMD::SlabStatistics
 SlabStatistics (SimInfo *info, const string &filename, const string &sele, int nbins, int axis)
 
virtual ~SlabStatistics ()
 
virtual int getBin (Vector3d pos)
 
- Public Member Functions inherited from OpenMD::SpatialStatistics
 SpatialStatistics (SimInfo *info, const string &filename, const string &sele, int nbins)
 
 ~SpatialStatistics ()
 
void addOutputData (OutputData *dat)
 
virtual void process ()
 
- Public Member Functions inherited from OpenMD::StaticAnalyser
 StaticAnalyser (SimInfo *info, const std::string &filename, unsigned int nbins)
 
virtual ~StaticAnalyser ()
 
void setOutputName (const std::string &filename)
 
const std::string & getOutputFileName () const
 
void setStep (int step)
 
int getStep ()
 
const std::string & getAnalysisType () const
 
void setAnalysisType (const std::string &type)
 
void setParameterString (const std::string &params)
 

Protected Attributes

OutputDatatemperature
 
OutputDatavelocity
 
OutputDatadensity
 
int axis_
 
- Protected Attributes inherited from OpenMD::SlabStatistics
OutputDataz_
 
Mat3x3d hmat_
 
RealType volume_
 
int axis_
 
std::string axisLabel_
 
- Protected Attributes inherited from OpenMD::SpatialStatistics
SnapshotcurrentSnapshot_
 
int nProcessed_
 
string selectionScript_
 
SelectionEvaluator evaluator_
 
SelectionManager seleMan_
 
- Protected Attributes inherited from OpenMD::StaticAnalyser
SimInfoinfo_
 
std::string dumpFilename_
 
std::string outputFilename_
 
int step_
 
std::string analysisType_
 
std::string paramString_
 
unsigned int nBins_
 
OutputDatacounts_
 
vector< OutputData * > data_
 

Additional Inherited Members

- Protected Member Functions inherited from OpenMD::StaticAnalyser
virtual void writeOutput ()
 
virtual void writeData (ostream &os, OutputData *dat, unsigned int bin)
 
virtual void writeErrorBars (ostream &os, OutputData *dat, unsigned int bin)
 
OutputDatabeginOutputData (vector< OutputData *>::iterator &i)
 
OutputDatanextOutputData (vector< OutputData *>::iterator &i)
 

Detailed Description

Definition at line 51 of file RNEMDStats.hpp.

Constructor & Destructor Documentation

◆ RNEMDZ()

Member Function Documentation

◆ processFrame()

◆ processStuntDouble()

void OpenMD::RNEMDZ::processStuntDouble ( StuntDouble sd,
int  bin 
)
virtual

Implements OpenMD::SpatialStatistics.

Definition at line 165 of file RNEMDStats.cpp.

Member Data Documentation

◆ axis_

int OpenMD::RNEMDZ::axis_
protected

Definition at line 62 of file RNEMDStats.hpp.

Referenced by processFrame().

◆ density

OutputData* OpenMD::RNEMDZ::density
protected

Definition at line 61 of file RNEMDStats.hpp.

Referenced by processFrame(), and RNEMDZ().

◆ temperature

OutputData* OpenMD::RNEMDZ::temperature
protected

Definition at line 59 of file RNEMDStats.hpp.

Referenced by processFrame(), and RNEMDZ().

◆ velocity

OutputData* OpenMD::RNEMDZ::velocity
protected

Definition at line 60 of file RNEMDStats.hpp.

Referenced by processFrame(), and RNEMDZ().


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