OpenMD 3.0
Molecular Dynamics in the Open
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OpenMD::StaticAnalyser Class Referenceabstract
+ Inheritance diagram for OpenMD::StaticAnalyser:

Classes

struct  OutputData
 

Public Member Functions

 StaticAnalyser (SimInfo *info, const std::string &filename, unsigned int nbins)
 
virtual void process ()=0
 
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)
 

Protected Member Functions

virtual void writeOutput ()
 

Protected Attributes

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 59 of file StaticAnalyser.hpp.

Constructor & Destructor Documentation

◆ StaticAnalyser()

OpenMD::StaticAnalyser::StaticAnalyser ( SimInfo * info,
const std::string & filename,
unsigned int nbins )

Definition at line 62 of file StaticAnalyser.cpp.

Member Function Documentation

◆ getAnalysisType()

const std::string & OpenMD::StaticAnalyser::getAnalysisType ( ) const
inline

Definition at line 80 of file StaticAnalyser.hpp.

◆ getOutputFileName()

const std::string & OpenMD::StaticAnalyser::getOutputFileName ( ) const
inline

Definition at line 71 of file StaticAnalyser.hpp.

◆ getStep()

int OpenMD::StaticAnalyser::getStep ( ) const
inline

Definition at line 78 of file StaticAnalyser.hpp.

◆ process()

virtual void OpenMD::StaticAnalyser::process ( )
pure virtual

Implemented in OpenMD::PotDiff.

◆ setAnalysisType()

void OpenMD::StaticAnalyser::setAnalysisType ( const std::string & type)
inline

Definition at line 82 of file StaticAnalyser.hpp.

◆ setOutputName()

void OpenMD::StaticAnalyser::setOutputName ( const std::string & filename)
inline

Definition at line 67 of file StaticAnalyser.hpp.

◆ setParameterString()

void OpenMD::StaticAnalyser::setParameterString ( const std::string & params)
inline

Definition at line 84 of file StaticAnalyser.hpp.

◆ setStep()

void OpenMD::StaticAnalyser::setStep ( int step)
inline

Definition at line 73 of file StaticAnalyser.hpp.

◆ writeOutput()

void OpenMD::StaticAnalyser::writeOutput ( )
protectedvirtual

Definition at line 67 of file StaticAnalyser.cpp.

Member Data Documentation

◆ analysisType_

std::string OpenMD::StaticAnalyser::analysisType_
protected

Definition at line 102 of file StaticAnalyser.hpp.

◆ data_

std::vector<OutputData> OpenMD::StaticAnalyser::data_
protected

Definition at line 105 of file StaticAnalyser.hpp.

◆ dumpFilename_

std::string OpenMD::StaticAnalyser::dumpFilename_
protected

Definition at line 97 of file StaticAnalyser.hpp.

◆ info_

SimInfo* OpenMD::StaticAnalyser::info_ {nullptr}
protected

Definition at line 96 of file StaticAnalyser.hpp.

◆ nBins_

unsigned int OpenMD::StaticAnalyser::nBins_
protected

Definition at line 99 of file StaticAnalyser.hpp.

◆ outputFilename_

std::string OpenMD::StaticAnalyser::outputFilename_
protected

Definition at line 101 of file StaticAnalyser.hpp.

◆ outputTypes_

std::vector<AtomType*> OpenMD::StaticAnalyser::outputTypes_
protected

Definition at line 106 of file StaticAnalyser.hpp.

◆ paramString_

std::string OpenMD::StaticAnalyser::paramString_
protected

Definition at line 103 of file StaticAnalyser.hpp.

◆ step_

int OpenMD::StaticAnalyser::step_
protected

Definition at line 98 of file StaticAnalyser.hpp.


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