OpenMD 3.1
Molecular Dynamics in the Open
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OpenMD::SlabStatistics Class Reference
+ Inheritance diagram for OpenMD::SlabStatistics:

Public Member Functions

 SlabStatistics (SimInfo *info, const std::string &filename, const std::string &sele, int nbins, int axis)
 
virtual int getBin (Vector3d pos)
 
virtual void processFrame (int frame)
 
- Public Member Functions inherited from OpenMD::SpatialStatistics
 SpatialStatistics (SimInfo *info, const std::string &filename, const std::string &sele, int nbins)
 
virtual void process ()
 
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

Mat3x3d hmat_
 
RealType volume_
 
int axis_
 
std::string axisLabel_
 
- Protected Attributes inherited from OpenMD::SpatialStatistics
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 80 of file SpatialStatistics.hpp.

Constructor & Destructor Documentation

◆ SlabStatistics()

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

Definition at line 111 of file SpatialStatistics.cpp.

Member Function Documentation

◆ getBin()

int OpenMD::SlabStatistics::getBin ( Vector3d pos)
virtual

Implements OpenMD::SpatialStatistics.

Definition at line 139 of file SpatialStatistics.cpp.

◆ processFrame()

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

Reimplemented from OpenMD::SpatialStatistics.

Definition at line 130 of file SpatialStatistics.cpp.

Member Data Documentation

◆ axis_

int OpenMD::SlabStatistics::axis_
protected

Definition at line 91 of file SpatialStatistics.hpp.

◆ axisLabel_

std::string OpenMD::SlabStatistics::axisLabel_
protected

Definition at line 92 of file SpatialStatistics.hpp.

◆ hmat_

Mat3x3d OpenMD::SlabStatistics::hmat_
protected

Definition at line 89 of file SpatialStatistics.hpp.

◆ volume_

RealType OpenMD::SlabStatistics::volume_
protected

Definition at line 90 of file SpatialStatistics.hpp.


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