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

#include <DensityPlot.hpp>

Inheritance diagram for OpenMD::DensityPlot:
OpenMD::StaticAnalyser

Public Member Functions

 DensityPlot (SimInfo *info, const std::string &filename, const std::string &sele, const std::string &cmSele, RealType len, int nrbins)
 
virtual void process ()
 
int getNRBins ()
 
RealType getLength ()
 
- 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)
 

Private Member Functions

Vector3d calcNewOrigin ()
 
void writeDensity ()
 

Private Attributes

SnapshotcurrentSnapshot_
 
RealType len_
 
RealType halfLen_
 
int nRBins_
 
RealType deltaR_
 
std::vector< int > histogram_
 
std::vector< RealType > density_
 
std::string selectionScript_
 
SelectionManager seleMan_
 
SelectionEvaluator evaluator_
 
std::string cmSelectionScript_
 
SelectionManager cmSeleMan_
 
SelectionEvaluator cmEvaluator_
 

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)
 
- 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_
 

Detailed Description

Definition at line 50 of file DensityPlot.hpp.

Constructor & Destructor Documentation

◆ DensityPlot()

OpenMD::DensityPlot::DensityPlot ( SimInfo info,
const std::string &  filename,
const std::string &  sele,
const std::string &  cmSele,
RealType  len,
int  nrbins 
)

Member Function Documentation

◆ calcNewOrigin()

Vector3d OpenMD::DensityPlot::calcNewOrigin ( )
private

◆ getLength()

RealType OpenMD::DensityPlot::getLength ( )
inline

Definition at line 59 of file DensityPlot.hpp.

References calcNewOrigin(), len_, and writeDensity().

◆ getNRBins()

int OpenMD::DensityPlot::getNRBins ( )
inline

Definition at line 55 of file DensityPlot.hpp.

References nRBins_.

◆ process()

◆ writeDensity()

void OpenMD::DensityPlot::writeDensity ( )
private

Member Data Documentation

◆ cmEvaluator_

SelectionEvaluator OpenMD::DensityPlot::cmEvaluator_
private

Definition at line 82 of file DensityPlot.hpp.

Referenced by DensityPlot(), and process().

◆ cmSelectionScript_

std::string OpenMD::DensityPlot::cmSelectionScript_
private

Definition at line 80 of file DensityPlot.hpp.

Referenced by writeDensity().

◆ cmSeleMan_

SelectionManager OpenMD::DensityPlot::cmSeleMan_
private

Definition at line 81 of file DensityPlot.hpp.

Referenced by DensityPlot(), and process().

◆ currentSnapshot_

Snapshot* OpenMD::DensityPlot::currentSnapshot_
private

Definition at line 69 of file DensityPlot.hpp.

Referenced by process().

◆ deltaR_

RealType OpenMD::DensityPlot::deltaR_
private

Definition at line 73 of file DensityPlot.hpp.

Referenced by DensityPlot(), process(), and writeDensity().

◆ density_

std::vector<RealType> OpenMD::DensityPlot::density_
private

Definition at line 75 of file DensityPlot.hpp.

Referenced by DensityPlot(), process(), and writeDensity().

◆ evaluator_

SelectionEvaluator OpenMD::DensityPlot::evaluator_
private

Definition at line 79 of file DensityPlot.hpp.

Referenced by DensityPlot(), and process().

◆ halfLen_

RealType OpenMD::DensityPlot::halfLen_
private

Definition at line 71 of file DensityPlot.hpp.

Referenced by process(), and writeDensity().

◆ histogram_

std::vector<int> OpenMD::DensityPlot::histogram_
private

Definition at line 74 of file DensityPlot.hpp.

Referenced by DensityPlot(), and writeDensity().

◆ len_

RealType OpenMD::DensityPlot::len_
private

Definition at line 70 of file DensityPlot.hpp.

Referenced by DensityPlot(), getLength(), process(), and writeDensity().

◆ nRBins_

int OpenMD::DensityPlot::nRBins_
private

Definition at line 72 of file DensityPlot.hpp.

Referenced by DensityPlot(), getNRBins(), process(), and writeDensity().

◆ selectionScript_

std::string OpenMD::DensityPlot::selectionScript_
private

Definition at line 77 of file DensityPlot.hpp.

Referenced by writeDensity().

◆ seleMan_

SelectionManager OpenMD::DensityPlot::seleMan_
private

Definition at line 78 of file DensityPlot.hpp.

Referenced by calcNewOrigin(), DensityPlot(), and process().


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