OpenMD 3.2
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 62 of file StaticAnalyser.hpp.

Constructor & Destructor Documentation

◆ StaticAnalyser()

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

Definition at line 65 of file StaticAnalyser.cpp.

Member Function Documentation

◆ getAnalysisType()

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

Definition at line 83 of file StaticAnalyser.hpp.

◆ getOutputFileName()

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

Definition at line 74 of file StaticAnalyser.hpp.

◆ getStep()

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

Definition at line 81 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 85 of file StaticAnalyser.hpp.

◆ setOutputName()

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

Definition at line 70 of file StaticAnalyser.hpp.

◆ setParameterString()

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

Definition at line 87 of file StaticAnalyser.hpp.

◆ setStep()

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

Definition at line 76 of file StaticAnalyser.hpp.

◆ writeOutput()

void OpenMD::StaticAnalyser::writeOutput ( )
protectedvirtual

Definition at line 70 of file StaticAnalyser.cpp.

Member Data Documentation

◆ analysisType_

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

Definition at line 105 of file StaticAnalyser.hpp.

◆ data_

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

Definition at line 108 of file StaticAnalyser.hpp.

◆ dumpFilename_

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

Definition at line 100 of file StaticAnalyser.hpp.

◆ info_

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

Definition at line 99 of file StaticAnalyser.hpp.

◆ nBins_

unsigned int OpenMD::StaticAnalyser::nBins_
protected

Definition at line 102 of file StaticAnalyser.hpp.

◆ outputFilename_

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

Definition at line 104 of file StaticAnalyser.hpp.

◆ outputTypes_

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

Definition at line 109 of file StaticAnalyser.hpp.

◆ paramString_

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

Definition at line 106 of file StaticAnalyser.hpp.

◆ step_

int OpenMD::StaticAnalyser::step_
protected

Definition at line 101 of file StaticAnalyser.hpp.


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