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

#include <AngleR.hpp>

Inheritance diagram for OpenMD::AngleR:
OpenMD::StaticAnalyser OpenMD::StaticAnalyser

Public Member Functions

 AngleR (SimInfo *info, const std::string &filename, const std::string &sele, RealType len, int nrbins)
 
int getNRBins ()
 
RealType getLength ()
 
virtual void process ()
 
 AngleR (SimInfo *info, const std::string &filename, const std::string &sele, RealType len, int nrbins)
 
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 writeAngleR ()
 
void processHistogram ()
 
void writeAngleR ()
 

Private Attributes

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

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 AngleR.hpp.

Constructor & Destructor Documentation

◆ AngleR() [1/2]

◆ AngleR() [2/2]

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

Member Function Documentation

◆ getLength() [1/2]

RealType OpenMD::AngleR::getLength ( )
inline

◆ getLength() [2/2]

RealType OpenMD::AngleR::getLength ( )
inline

Definition at line 59 of file AngleR.hpp.

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

◆ getNRBins() [1/2]

int OpenMD::AngleR::getNRBins ( )
inline

Definition at line 54 of file RhoAngleR.hpp.

References nRBins_.

◆ getNRBins() [2/2]

int OpenMD::AngleR::getNRBins ( )
inline

Definition at line 55 of file AngleR.hpp.

References nRBins_.

◆ process() [1/2]

virtual void OpenMD::AngleR::process ( )
virtual

◆ process() [2/2]

◆ processHistogram() [1/2]

void OpenMD::AngleR::processHistogram ( )
private

◆ processHistogram() [2/2]

void OpenMD::AngleR::processHistogram ( )
private

Definition at line 142 of file AngleR.cpp.

References avgAngleR_, count_, and histogram_.

Referenced by getLength(), and process().

◆ writeAngleR() [1/2]

◆ writeAngleR() [2/2]

void OpenMD::AngleR::writeAngleR ( )
private

Member Data Documentation

◆ avgAngleR_

std::vector< RealType > OpenMD::AngleR::avgAngleR_
private

Definition at line 80 of file AngleR.hpp.

Referenced by AngleR(), getLength(), process(), processHistogram(), and writeAngleR().

◆ count_

std::vector< int > OpenMD::AngleR::count_
private

Definition at line 81 of file AngleR.hpp.

Referenced by AngleR(), getLength(), process(), and processHistogram().

◆ currentSnapshot_

Snapshot * OpenMD::AngleR::currentSnapshot_
private

Definition at line 69 of file AngleR.hpp.

Referenced by getLength(), and process().

◆ deltaR_

RealType OpenMD::AngleR::deltaR_
private

Definition at line 77 of file AngleR.hpp.

Referenced by AngleR(), getLength(), process(), and writeAngleR().

◆ evaluator_

SelectionEvaluator OpenMD::AngleR::evaluator_
private

Definition at line 72 of file AngleR.hpp.

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

◆ histogram_

std::vector< RealType > OpenMD::AngleR::histogram_
private

Definition at line 79 of file AngleR.hpp.

Referenced by AngleR(), getLength(), process(), and processHistogram().

◆ len_

RealType OpenMD::AngleR::len_
private

Definition at line 75 of file AngleR.hpp.

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

◆ nProcessed_

int OpenMD::AngleR::nProcessed_
private

Definition at line 70 of file AngleR.hpp.

Referenced by getLength(), and process().

◆ nRBins_

int OpenMD::AngleR::nRBins_
private

Definition at line 76 of file AngleR.hpp.

Referenced by AngleR(), getLength(), and getNRBins().

◆ selectionScript_

std::string OpenMD::AngleR::selectionScript_
private

Definition at line 71 of file AngleR.hpp.

Referenced by getLength(), and writeAngleR().

◆ seleMan_

SelectionManager OpenMD::AngleR::seleMan_
private

Definition at line 73 of file AngleR.hpp.

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


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