OpenMD 3.0
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 58 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 59 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 76 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 99 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 117 of file pAngle.cpp.

Member Function Documentation

◆ getNThetaBins()

int OpenMD::pAngle::getNThetaBins ( )
inline

Definition at line 69 of file pAngle.hpp.

◆ process()

void OpenMD::pAngle::process ( )
virtual

Implements OpenMD::StaticAnalyser.

Definition at line 136 of file pAngle.cpp.


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