OpenMD 3.2
Molecular Dynamics in the Open
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OpenMD::SequentialAnalyzer Class Referenceabstract

"applications/sequentialProps/SequentialAnalyzer" More...

#include <SequentialAnalyzer.hpp>

Inheritance diagram for OpenMD::SequentialAnalyzer:

Public Member Functions

 SequentialAnalyzer (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2)
virtual void doSequence ()
void setOutputName (const std::string &filename)
const std::string & getOutputFileName () const
void setStep (int step)
int getStep ()
const std::string & getSequenceType () const
void setSequenceType (const std::string &type)
void setParameterString (const std::string &params)

Protected Member Functions

virtual void preSequence ()
virtual void postSequence ()
virtual void writeSequence ()
virtual void doFrame (int frame)=0

Protected Attributes

SimInfo * info_ {nullptr}
Snapshot * currentSnapshot_
std::string dumpFilename_
SelectionManager seleMan1_
std::string selectionScript1_
SelectionEvaluator evaluator1_
SelectionManager seleMan2_
std::string selectionScript2_
SelectionEvaluator evaluator2_
int step_
std::string outputFilename_
int frame_
std::vector< RealType > times_
std::vector< RealType > values_
std::string sequenceType_
std::string paramString_

Detailed Description

"applications/sequentialProps/SequentialAnalyzer"

Base class for Sequence Analyzer

Definition at line 68 of file SequentialAnalyzer.hpp.

Constructor & Destructor Documentation

◆ SequentialAnalyzer()

OpenMD::SequentialAnalyzer::SequentialAnalyzer ( SimInfo * info,
const std::string & filename,
const std::string & sele1,
const std::string & sele2 )

Definition at line 60 of file SequentialAnalyzer.cpp.

Member Function Documentation

◆ doSequence()

void OpenMD::SequentialAnalyzer::doSequence ( )
virtual

Definition at line 82 of file SequentialAnalyzer.cpp.

◆ getOutputFileName()

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

Definition at line 80 of file SequentialAnalyzer.hpp.

◆ getSequenceType()

const std::string & OpenMD::SequentialAnalyzer::getSequenceType ( ) const
inline

Definition at line 89 of file SequentialAnalyzer.hpp.

◆ getStep()

int OpenMD::SequentialAnalyzer::getStep ( )
inline

Definition at line 87 of file SequentialAnalyzer.hpp.

◆ postSequence()

virtual void OpenMD::SequentialAnalyzer::postSequence ( )
inlineprotectedvirtual

Definition at line 99 of file SequentialAnalyzer.hpp.

◆ preSequence()

virtual void OpenMD::SequentialAnalyzer::preSequence ( )
inlineprotectedvirtual

Definition at line 98 of file SequentialAnalyzer.hpp.

◆ setOutputName()

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

Definition at line 76 of file SequentialAnalyzer.hpp.

◆ setParameterString()

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

Definition at line 93 of file SequentialAnalyzer.hpp.

◆ setSequenceType()

void OpenMD::SequentialAnalyzer::setSequenceType ( const std::string & type)
inline

Definition at line 91 of file SequentialAnalyzer.hpp.

◆ setStep()

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

Definition at line 82 of file SequentialAnalyzer.hpp.

◆ writeSequence()

void OpenMD::SequentialAnalyzer::writeSequence ( )
protectedvirtual

Definition at line 109 of file SequentialAnalyzer.cpp.

Member Data Documentation

◆ currentSnapshot_

Snapshot* OpenMD::SequentialAnalyzer::currentSnapshot_
protected

Definition at line 104 of file SequentialAnalyzer.hpp.

◆ dumpFilename_

std::string OpenMD::SequentialAnalyzer::dumpFilename_
protected

Definition at line 105 of file SequentialAnalyzer.hpp.

◆ evaluator1_

SelectionEvaluator OpenMD::SequentialAnalyzer::evaluator1_
protected

Definition at line 109 of file SequentialAnalyzer.hpp.

◆ evaluator2_

SelectionEvaluator OpenMD::SequentialAnalyzer::evaluator2_
protected

Definition at line 113 of file SequentialAnalyzer.hpp.

◆ frame_

int OpenMD::SequentialAnalyzer::frame_
protected

Definition at line 118 of file SequentialAnalyzer.hpp.

◆ info_

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

Definition at line 103 of file SequentialAnalyzer.hpp.

◆ outputFilename_

std::string OpenMD::SequentialAnalyzer::outputFilename_
protected

Definition at line 117 of file SequentialAnalyzer.hpp.

◆ paramString_

std::string OpenMD::SequentialAnalyzer::paramString_
protected

Definition at line 123 of file SequentialAnalyzer.hpp.

◆ selectionScript1_

std::string OpenMD::SequentialAnalyzer::selectionScript1_
protected

Definition at line 108 of file SequentialAnalyzer.hpp.

◆ selectionScript2_

std::string OpenMD::SequentialAnalyzer::selectionScript2_
protected

Definition at line 112 of file SequentialAnalyzer.hpp.

◆ seleMan1_

SelectionManager OpenMD::SequentialAnalyzer::seleMan1_
protected

Definition at line 107 of file SequentialAnalyzer.hpp.

◆ seleMan2_

SelectionManager OpenMD::SequentialAnalyzer::seleMan2_
protected

Definition at line 111 of file SequentialAnalyzer.hpp.

◆ sequenceType_

std::string OpenMD::SequentialAnalyzer::sequenceType_
protected

Definition at line 122 of file SequentialAnalyzer.hpp.

◆ step_

int OpenMD::SequentialAnalyzer::step_
protected

Definition at line 115 of file SequentialAnalyzer.hpp.

◆ times_

std::vector<RealType> OpenMD::SequentialAnalyzer::times_
protected

Definition at line 120 of file SequentialAnalyzer.hpp.

◆ values_

std::vector<RealType> OpenMD::SequentialAnalyzer::values_
protected

Definition at line 121 of file SequentialAnalyzer.hpp.

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