OpenMD 3.0
Molecular Dynamics in the Open
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OpenMD::GofRTheta Class Reference
+ Inheritance diagram for OpenMD::GofRTheta:

Public Member Functions

 GofRTheta (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, RealType len, int nrbins, int nangleBins)
 
 GofRTheta (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, const std::string &sele3, RealType len, int nrbins, int nangleBins)
 
- Public Member Functions inherited from OpenMD::GofRAngle
 GofRAngle (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, RealType len, int nrbins, int nangleBins)
 
 GofRAngle (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, const std::string &sele3, RealType len, int nrbins, int nangleBins)
 
int getNRBins ()
 
RealType getLength ()
 
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::GofRAngle
RealType deltaCosAngle_
 
int nAngleBins_
 
RealType len_
 
int nRBins_
 
RealType deltaR_
 
bool doSele3_
 
std::string selectionScript3_
 
SelectionManager seleMan3_
 
SelectionEvaluator evaluator3_
 
std::vector< std::vector< int > > histogram_
 
std::vector< std::vector< RealType > > avgGofr_
 
int npairs_
 
- 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 101 of file GofRAngle.hpp.

Constructor & Destructor Documentation

◆ GofRTheta() [1/2]

OpenMD::GofRTheta::GofRTheta ( SimInfo * info,
const std::string & filename,
const std::string & sele1,
const std::string & sele2,
RealType len,
int nrbins,
int nangleBins )
inline

Definition at line 103 of file GofRAngle.hpp.

◆ GofRTheta() [2/2]

OpenMD::GofRTheta::GofRTheta ( SimInfo * info,
const std::string & filename,
const std::string & sele1,
const std::string & sele2,
const std::string & sele3,
RealType len,
int nrbins,
int nangleBins )
inline

Definition at line 109 of file GofRAngle.hpp.


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