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

Public Member Functions

 MoleculeCount (SimInfo *info, const std::string &filename, const std::string &sele)
virtual void process ()
Public Member Functions inherited from OpenMD::ObjectCount
 ObjectCount (SimInfo *info, const std::string &filename, const std::string &sele)
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::ObjectCount
void writeCounts ()
Protected Member Functions inherited from OpenMD::StaticAnalyser
virtual void writeOutput ()
Protected Attributes inherited from OpenMD::ObjectCount
SnapshotcurrentSnapshot_
vector< int > counts_
RealType nAvg
RealType n2Avg
RealType sDev
std::string selectionScript_
SelectionManager seleMan_
SelectionEvaluator evaluator_
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 79 of file ObjectCount.hpp.

Constructor & Destructor Documentation

◆ MoleculeCount()

OpenMD::MoleculeCount::MoleculeCount ( SimInfo * info,
const std::string & filename,
const std::string & sele )

Definition at line 131 of file ObjectCount.cpp.

Member Function Documentation

◆ process()

void OpenMD::MoleculeCount::process ( )
virtual

Reimplemented from OpenMD::ObjectCount.

Definition at line 143 of file ObjectCount.cpp.


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