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

#include <RhoR.hpp>

Inheritance diagram for OpenMD::RhoR:
OpenMD::StaticAnalyser

Public Member Functions

 RhoR (SimInfo *info, const std::string &filename, const std::string &sele, RealType len, int nrbins, RealType particleR)
 
int getNRBins ()
 
RealType getLength ()
 
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)
 

Private Member Functions

void processHistogram ()
 
void writeRhoR ()
 

Private Attributes

SnapshotcurrentSnapshot_
 
int nProcessed_
 
std::string selectionScript_
 
SelectionEvaluator evaluator_
 
SelectionManager seleMan_
 
RealType len_
 
int nRBins_
 
RealType deltaR_
 
RealType particleR_
 
std::vector< int > histogram_
 
std::vector< RealType > avgRhoR_
 

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 48 of file RhoR.hpp.

Constructor & Destructor Documentation

◆ RhoR()

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

Member Function Documentation

◆ getLength()

RealType OpenMD::RhoR::getLength ( )
inline

Definition at line 59 of file RhoR.hpp.

References len_, process(), processHistogram(), and writeRhoR().

◆ getNRBins()

int OpenMD::RhoR::getNRBins ( )
inline

Definition at line 55 of file RhoR.hpp.

References nRBins_.

◆ process()

◆ processHistogram()

void OpenMD::RhoR::processHistogram ( )
private

◆ writeRhoR()

void OpenMD::RhoR::writeRhoR ( )
private

Member Data Documentation

◆ avgRhoR_

std::vector<RealType> OpenMD::RhoR::avgRhoR_
private

Definition at line 86 of file RhoR.hpp.

Referenced by process(), processHistogram(), RhoR(), and writeRhoR().

◆ currentSnapshot_

Snapshot* OpenMD::RhoR::currentSnapshot_
private

Definition at line 71 of file RhoR.hpp.

Referenced by process().

◆ deltaR_

RealType OpenMD::RhoR::deltaR_
private

Definition at line 82 of file RhoR.hpp.

Referenced by process(), processHistogram(), RhoR(), and writeRhoR().

◆ evaluator_

SelectionEvaluator OpenMD::RhoR::evaluator_
private

Definition at line 75 of file RhoR.hpp.

Referenced by process(), and RhoR().

◆ histogram_

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

Definition at line 85 of file RhoR.hpp.

Referenced by process(), processHistogram(), and RhoR().

◆ len_

RealType OpenMD::RhoR::len_
private

Definition at line 80 of file RhoR.hpp.

Referenced by getLength(), process(), and RhoR().

◆ nProcessed_

int OpenMD::RhoR::nProcessed_
private

Definition at line 73 of file RhoR.hpp.

Referenced by process(), and writeRhoR().

◆ nRBins_

int OpenMD::RhoR::nRBins_
private

Definition at line 81 of file RhoR.hpp.

Referenced by getNRBins().

◆ particleR_

RealType OpenMD::RhoR::particleR_
private

Definition at line 83 of file RhoR.hpp.

Referenced by processHistogram(), and RhoR().

◆ selectionScript_

std::string OpenMD::RhoR::selectionScript_
private

Definition at line 74 of file RhoR.hpp.

◆ seleMan_

SelectionManager OpenMD::RhoR::seleMan_
private

Definition at line 76 of file RhoR.hpp.

Referenced by process(), and RhoR().


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