OpenMD 3.2
Molecular Dynamics in the Open
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OpenMD::GofAngle2 Class Reference
Inheritance diagram for OpenMD::GofAngle2:

Public Member Functions

 GofAngle2 (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, int nangleBins)
 GofAngle2 (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, const std::string &sele3, int nangleBins)
int getNAngleBins ()
Public Member Functions inherited from OpenMD::RadialDistrFunc
 RadialDistrFunc (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, unsigned int nbins)
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::RadialDistrFunc
virtual void postProcess ()
int getNPairs ()
int getNSelected1 ()
int getNSelected2 ()
Protected Member Functions inherited from OpenMD::StaticAnalyser
virtual void writeOutput ()
Protected Attributes inherited from OpenMD::RadialDistrFunc
SnapshotcurrentSnapshot_
std::string selectionScript1_
std::string selectionScript2_
int nProcessed_
SelectionEvaluator evaluator1_
SelectionEvaluator evaluator2_
SelectionManager seleMan1_
SelectionManager seleMan2_
SelectionManager sele1_minus_common_
SelectionManager sele2_minus_common_
SelectionManager common_
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 55 of file GofAngle2.hpp.

Constructor & Destructor Documentation

◆ GofAngle2() [1/2]

OpenMD::GofAngle2::GofAngle2 ( SimInfo * info,
const std::string & filename,
const std::string & sele1,
const std::string & sele2,
int nangleBins )

Definition at line 61 of file GofAngle2.cpp.

◆ GofAngle2() [2/2]

OpenMD::GofAngle2::GofAngle2 ( SimInfo * info,
const std::string & filename,
const std::string & sele1,
const std::string & sele2,
const std::string & sele3,
int nangleBins )

Definition at line 85 of file GofAngle2.cpp.

Member Function Documentation

◆ getNAngleBins()

int OpenMD::GofAngle2::getNAngleBins ( )
inline

Definition at line 64 of file GofAngle2.hpp.


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