OpenMD 3.2
Molecular Dynamics in the Open
Loading...
Searching...
No Matches
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 83 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 114 of file SpatialStatistics.cpp.

Member Function Documentation

◆ getBin()

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

Implements OpenMD::SpatialStatistics.

Definition at line 142 of file SpatialStatistics.cpp.

◆ processFrame()

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

Reimplemented from OpenMD::SpatialStatistics.

Definition at line 133 of file SpatialStatistics.cpp.

Member Data Documentation

◆ axis_

int OpenMD::SlabStatistics::axis_
protected

Definition at line 94 of file SpatialStatistics.hpp.

◆ axisLabel_

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

Definition at line 95 of file SpatialStatistics.hpp.

◆ hmat_

Mat3x3d OpenMD::SlabStatistics::hmat_
protected

Definition at line 92 of file SpatialStatistics.hpp.

◆ volume_

RealType OpenMD::SlabStatistics::volume_ {}
protected

Definition at line 93 of file SpatialStatistics.hpp.


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