OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::NanoVolume Class Reference

#include <NanoVolume.hpp>

Inheritance diagram for OpenMD::NanoVolume:
OpenMD::StaticAnalyser

Public Member Functions

 NanoVolume (SimInfo *info, const std::string &filename, const std::string &sele)
 
virtual void process ()
 
- Public Member Functions inherited from OpenMD::StaticAnalyser
 StaticAnalyser (SimInfo *info, const std::string &filename, unsigned int nbins)
 
virtual ~StaticAnalyser ()
 
void setOutputName (const std::string &filename)
 
const std::string & getOutputFileName () const
 
void setStep (int step)
 
int getStep ()
 
const std::string & getAnalysisType () const
 
void setAnalysisType (const std::string &type)
 
void setParameterString (const std::string &params)
 

Private Attributes

SnapshotcurrentSnapshot_
 
std::string selectionScript_
 
SelectionManager seleMan_
 
SelectionEvaluator evaluator_
 
std::vector< StuntDouble * > theAtoms_
 
int frameCounter_
 
std::ofstream osq
 

Additional Inherited Members

- Protected Member Functions inherited from OpenMD::StaticAnalyser
virtual void writeOutput ()
 
virtual void writeData (ostream &os, OutputData *dat, unsigned int bin)
 
virtual void writeErrorBars (ostream &os, OutputData *dat, unsigned int bin)
 
OutputDatabeginOutputData (vector< OutputData *>::iterator &i)
 
OutputDatanextOutputData (vector< OutputData *>::iterator &i)
 
- Protected Attributes inherited from OpenMD::StaticAnalyser
SimInfoinfo_
 
std::string dumpFilename_
 
std::string outputFilename_
 
int step_
 
std::string analysisType_
 
std::string paramString_
 
unsigned int nBins_
 
OutputDatacounts_
 
vector< OutputData * > data_
 

Detailed Description

Definition at line 62 of file NanoVolume.hpp.

Constructor & Destructor Documentation

◆ NanoVolume()

Member Function Documentation

◆ process()

Member Data Documentation

◆ currentSnapshot_

Snapshot* OpenMD::NanoVolume::currentSnapshot_
private

Definition at line 68 of file NanoVolume.hpp.

Referenced by process().

◆ evaluator_

SelectionEvaluator OpenMD::NanoVolume::evaluator_
private

Definition at line 71 of file NanoVolume.hpp.

Referenced by NanoVolume(), and process().

◆ frameCounter_

int OpenMD::NanoVolume::frameCounter_
private

Definition at line 73 of file NanoVolume.hpp.

Referenced by NanoVolume(), and process().

◆ osq

std::ofstream OpenMD::NanoVolume::osq
private

Definition at line 74 of file NanoVolume.hpp.

Referenced by NanoVolume(), and process().

◆ selectionScript_

std::string OpenMD::NanoVolume::selectionScript_
private

Definition at line 69 of file NanoVolume.hpp.

◆ seleMan_

SelectionManager OpenMD::NanoVolume::seleMan_
private

Definition at line 70 of file NanoVolume.hpp.

Referenced by NanoVolume(), and process().

◆ theAtoms_

std::vector<StuntDouble*> OpenMD::NanoVolume::theAtoms_
private

Definition at line 72 of file NanoVolume.hpp.

Referenced by process().


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