OpenMD 3.1
Molecular Dynamics in the Open
Loading...
Searching...
No Matches
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 76 of file ObjectCount.hpp.

Constructor & Destructor Documentation

◆ MoleculeCount()

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

Definition at line 128 of file ObjectCount.cpp.

Member Function Documentation

◆ process()

void OpenMD::MoleculeCount::process ( )
virtual

Reimplemented from OpenMD::ObjectCount.

Definition at line 140 of file ObjectCount.cpp.


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