OpenMD 3.2
Molecular Dynamics in the Open
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OpenMD::pAngle Class Reference
Inheritance diagram for OpenMD::pAngle:

Public Member Functions

 pAngle (SimInfo *info, const string &filename, const string &sele1, int nzbins)
 pAngle (SimInfo *info, const string &filename, const string &sele1, const string &sele2, int nzbins)
 pAngle (SimInfo *info, const string &filename, const string &sele, const int seleOffset, int nzbins)
 pAngle (SimInfo *info, const string &filename, const string &sele, const int seleOffset, const int seleOffset2, int nzbins)
int getNThetaBins ()
virtual void process ()
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)

Additional Inherited Members

Protected Member Functions inherited from OpenMD::StaticAnalyser
virtual void writeOutput ()
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_

Detailed Description

Definition at line 61 of file pAngle.hpp.

Constructor & Destructor Documentation

◆ pAngle() [1/4]

OpenMD::pAngle::pAngle ( SimInfo * info,
const string & filename,
const string & sele1,
int nzbins )

Definition at line 62 of file pAngle.cpp.

◆ pAngle() [2/4]

OpenMD::pAngle::pAngle ( SimInfo * info,
const string & filename,
const string & sele1,
const string & sele2,
int nzbins )

Definition at line 79 of file pAngle.cpp.

◆ pAngle() [3/4]

OpenMD::pAngle::pAngle ( SimInfo * info,
const string & filename,
const string & sele,
const int seleOffset,
int nzbins )

Definition at line 102 of file pAngle.cpp.

◆ pAngle() [4/4]

OpenMD::pAngle::pAngle ( SimInfo * info,
const string & filename,
const string & sele,
const int seleOffset,
const int seleOffset2,
int nzbins )

Definition at line 120 of file pAngle.cpp.

Member Function Documentation

◆ getNThetaBins()

int OpenMD::pAngle::getNThetaBins ( )
inline

Definition at line 72 of file pAngle.hpp.

◆ process()

void OpenMD::pAngle::process ( )
virtual

Implements OpenMD::StaticAnalyser.

Definition at line 139 of file pAngle.cpp.


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