OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::StaticAnalyser Class Referenceabstract

#include <StaticAnalyser.hpp>

Inheritance diagram for OpenMD::StaticAnalyser:
OpenMD::Field< RealType > OpenMD::Field< Vector3d > OpenMD::AngleR OpenMD::AngleR OpenMD::BondAngleDistribution OpenMD::BondOrderParameter OpenMD::BOPofR OpenMD::CoordinationNumber OpenMD::DensityPlot OpenMD::Field< T > OpenMD::HBondGeometric OpenMD::Hxy OpenMD::MultipoleSum OpenMD::NanoLength OpenMD::NanoVolume OpenMD::NitrileFrequencyMap OpenMD::ObjectCount OpenMD::P2OrderParameter OpenMD::pAngle OpenMD::PotDiff OpenMD::RadialDistrFunc OpenMD::RhoR OpenMD::RhoZ OpenMD::RippleOP OpenMD::SCDOrderParameter OpenMD::SpatialStatistics OpenMD::SurfaceDiffusion OpenMD::TetrahedralityHBMatrix OpenMD::TetrahedralityParam OpenMD::TetrahedralityParamDens OpenMD::TetrahedralityParamXYZ OpenMD::TetrahedralityParamZ

Public Member Functions

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

Protected Member Functions

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

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 75 of file StaticAnalyser.hpp.

Constructor & Destructor Documentation

◆ StaticAnalyser()

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

◆ ~StaticAnalyser()

virtual OpenMD::StaticAnalyser::~StaticAnalyser ( )
inlinevirtual

Definition at line 79 of file StaticAnalyser.hpp.

Member Function Documentation

◆ beginOutputData()

OutputData * OpenMD::StaticAnalyser::beginOutputData ( vector< OutputData *>::iterator &  i)
protected

◆ getAnalysisType()

◆ getOutputFileName()

◆ getStep()

int OpenMD::StaticAnalyser::getStep ( )
inline

Definition at line 95 of file StaticAnalyser.hpp.

◆ nextOutputData()

OutputData * OpenMD::StaticAnalyser::nextOutputData ( vector< OutputData *>::iterator &  i)
protected

◆ process()

◆ setAnalysisType()

◆ setOutputName()

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

Definition at line 82 of file StaticAnalyser.hpp.

Referenced by OpenMD::AngleR::AngleR(), OpenMD::BondAngleDistribution::BondAngleDistribution(), OpenMD::BondOrderParameter::BondOrderParameter(), OpenMD::BOPofR::BOPofR(), OpenMD::ChargeField::ChargeField(), OpenMD::CoordinationNumber::CoordinationNumber(), OpenMD::DensityField::DensityField(), OpenMD::DensityPlot::DensityPlot(), OpenMD::DipoleField::DipoleField(), OpenMD::GCN::GCN(), OpenMD::GofAngle2::GofAngle2(), OpenMD::GofR::GofR(), OpenMD::GofRAngle2::GofRAngle2(), OpenMD::GofROmega::GofROmega(), OpenMD::GofRTheta::GofRTheta(), OpenMD::GofRZ::GofRZ(), OpenMD::GofXyz::GofXyz(), OpenMD::GofZ::GofZ(), OpenMD::HBondGeometric::HBondGeometric(), OpenMD::Hxy::Hxy(), OpenMD::Kirkwood::Kirkwood(), OpenMD::KirkwoodQuadrupoles::KirkwoodQuadrupoles(), main(), OpenMD::MultipoleSum::MultipoleSum(), OpenMD::NanoLength::NanoLength(), OpenMD::NanoVolume::NanoVolume(), OpenMD::NitrileFrequencyMap::NitrileFrequencyMap(), OpenMD::ObjectCount::ObjectCount(), OpenMD::P2OrderParameter::P2OrderParameter(), OpenMD::pAngle::pAngle(), OpenMD::PotDiff::PotDiff(), OpenMD::SurfaceDiffusion::process(), OpenMD::RhoR::RhoR(), OpenMD::RhoZ::RhoZ(), OpenMD::RippleOP::RippleOP(), OpenMD::RNEMDR::RNEMDR(), OpenMD::RNEMDRTheta::RNEMDRTheta(), OpenMD::RNEMDZ::RNEMDZ(), OpenMD::SCDOrderParameter::SCDOrderParameter(), OpenMD::SCN::SCN(), OpenMD::SpatialStatistics::SpatialStatistics(), OpenMD::TetrahedralityHBMatrix::TetrahedralityHBMatrix(), OpenMD::TetrahedralityParam::TetrahedralityParam(), OpenMD::TetrahedralityParamDens::TetrahedralityParamDens(), OpenMD::TetrahedralityParamXYZ::TetrahedralityParamXYZ(), OpenMD::TetrahedralityParamZ::TetrahedralityParamZ(), OpenMD::TwoDGofR::TwoDGofR(), and OpenMD::VelocityField::VelocityField().

◆ setParameterString()

◆ setStep()

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

Definition at line 90 of file StaticAnalyser.hpp.

Referenced by main().

◆ writeData()

◆ writeErrorBars()

void OpenMD::StaticAnalyser::writeErrorBars ( ostream &  os,
OutputData dat,
unsigned int  bin 
)
protectedvirtual

◆ writeOutput()

Member Data Documentation

◆ analysisType_

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

Definition at line 120 of file StaticAnalyser.hpp.

◆ counts_

◆ data_

◆ dumpFilename_

◆ info_

SimInfo* OpenMD::StaticAnalyser::info_
protected

Definition at line 116 of file StaticAnalyser.hpp.

Referenced by OpenMD::GofRAngle2::collectHistogram(), OpenMD::GofR::collectHistogram(), OpenMD::GofXyz::collectHistogram(), OpenMD::GofZ::collectHistogram(), OpenMD::Kirkwood::collectHistogram(), OpenMD::TwoDGofR::collectHistogram(), OpenMD::GofAngle2::collectHistogram(), OpenMD::GofRZ::collectHistogram(), OpenMD::GofRAngle::collectHistogram(), OpenMD::KirkwoodQuadrupoles::collectHistogram(), OpenMD::GofRTheta::evaluateAngle(), OpenMD::GofROmega::evaluateAngle(), OpenMD::HBondGeometric::HBondGeometric(), OpenMD::GofXyz::initializeHistogram(), OpenMD::PotDiff::PotDiff(), OpenMD::DensityPlot::process(), OpenMD::ObjectCount::process(), OpenMD::RippleOP::process(), OpenMD::NanoLength::process(), OpenMD::MultipoleSum::process(), OpenMD::P2OrderParameter::process(), OpenMD::RhoR::process(), OpenMD::AngleR::process(), OpenMD::BOPofR::process(), OpenMD::PotDiff::process(), OpenMD::SurfaceDiffusion::process(), OpenMD::NanoVolume::process(), OpenMD::RadialDistrFunc::process(), OpenMD::RhoZ::process(), OpenMD::BondAngleDistribution::process(), OpenMD::SpatialStatistics::process(), OpenMD::pAngle::process(), OpenMD::CoordinationNumber::process(), OpenMD::HBondGeometric::process(), OpenMD::SCDOrderParameter::process(), OpenMD::Hxy::process(), OpenMD::TetrahedralityHBMatrix::process(), OpenMD::TetrahedralityParamXYZ::process(), OpenMD::TetrahedralityParam::process(), OpenMD::TetrahedralityParamZ::process(), OpenMD::TetrahedralityParamDens::process(), OpenMD::BondOrderParameter::process(), OpenMD::RhoR::processHistogram(), OpenMD::GofR::processHistogram(), OpenMD::TwoDGofR::processHistogram(), OpenMD::GofRZ::processHistogram(), OpenMD::GofZ::processHistogram(), OpenMD::GofRAngle2::processHistogram(), OpenMD::GofRAngle::processHistogram(), OpenMD::GofRTheta::processHistogram(), OpenMD::TetrahedralityParam::writeOrderParameter(), and OpenMD::TetrahedralityParamXYZ::writeQxyz().

◆ nBins_

unsigned int OpenMD::StaticAnalyser::nBins_
protected

◆ outputFilename_

◆ paramString_

◆ step_


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