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

Base class for Sequence Analyzer. More...

#include "applications/sequentialProps/SequentialAnalyzer"

Inheritance diagram for OpenMD::SequentialAnalyzer:
OpenMD::CenterOfMass OpenMD::ContactAngle1 OpenMD::ContactAngle2 OpenMD::GCNSeq

Public Member Functions

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

SimInfoinfo_
 
SnapshotcurrentSnapshot_
 
std::string dumpFilename_
 
SelectionManager seleMan1_
 
std::string selectionScript1_
 
SelectionEvaluator evaluator1_
 
SelectionManager seleMan2_
 
std::string selectionScript2_
 
SelectionEvaluator evaluator2_
 
int step_
 
std::string outputFilename_
 
int frame_
 
int storageLayout_
 
std::vector< RealType > times_
 
std::vector< RealType > values_
 
std::string sequenceType_
 
std::string paramString_
 

Detailed Description

Base class for Sequence Analyzer.

Definition at line 61 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 
)

◆ ~SequentialAnalyzer()

virtual OpenMD::SequentialAnalyzer::~SequentialAnalyzer ( )
inlinevirtual

Definition at line 66 of file SequentialAnalyzer.hpp.

References doSequence().

Member Function Documentation

◆ doFrame()

virtual void OpenMD::SequentialAnalyzer::doFrame ( int  frame)
protectedpure virtual

◆ doSequence()

◆ getOutputFileName()

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

Definition at line 73 of file SequentialAnalyzer.hpp.

References outputFilename_.

◆ getSequenceType()

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

◆ getStep()

int OpenMD::SequentialAnalyzer::getStep ( )
inline

Definition at line 82 of file SequentialAnalyzer.hpp.

References step_.

◆ postSequence()

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

Definition at line 98 of file SequentialAnalyzer.hpp.

References doFrame(), and writeSequence().

Referenced by doSequence().

◆ preSequence()

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

Definition at line 97 of file SequentialAnalyzer.hpp.

Referenced by doSequence().

◆ setOutputName()

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

◆ setParameterString()

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

◆ setSequenceType()

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

Definition at line 88 of file SequentialAnalyzer.hpp.

References sequenceType_.

Referenced by OpenMD::GCNSeq::GCNSeq().

◆ setStep()

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

Definition at line 77 of file SequentialAnalyzer.hpp.

References step_.

◆ writeSequence()

Member Data Documentation

◆ currentSnapshot_

Snapshot* OpenMD::SequentialAnalyzer::currentSnapshot_
protected

Definition at line 103 of file SequentialAnalyzer.hpp.

Referenced by OpenMD::GCNSeq::doFrame(), and doSequence().

◆ dumpFilename_

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

Definition at line 104 of file SequentialAnalyzer.hpp.

Referenced by doSequence().

◆ evaluator1_

◆ evaluator2_

SelectionEvaluator OpenMD::SequentialAnalyzer::evaluator2_
protected

Definition at line 112 of file SequentialAnalyzer.hpp.

Referenced by doSequence(), and SequentialAnalyzer().

◆ frame_

int OpenMD::SequentialAnalyzer::frame_
protected

Definition at line 117 of file SequentialAnalyzer.hpp.

Referenced by doSequence().

◆ info_

SimInfo* OpenMD::SequentialAnalyzer::info_
protected

◆ outputFilename_

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

◆ paramString_

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

◆ selectionScript1_

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

◆ selectionScript2_

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

◆ seleMan1_

◆ seleMan2_

SelectionManager OpenMD::SequentialAnalyzer::seleMan2_
protected

Definition at line 110 of file SequentialAnalyzer.hpp.

Referenced by OpenMD::GCNSeq::doFrame(), doSequence(), and SequentialAnalyzer().

◆ sequenceType_

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

Definition at line 121 of file SequentialAnalyzer.hpp.

Referenced by getSequenceType(), and setSequenceType().

◆ step_

int OpenMD::SequentialAnalyzer::step_
protected

Definition at line 114 of file SequentialAnalyzer.hpp.

Referenced by doSequence(), getStep(), and setStep().

◆ storageLayout_

int OpenMD::SequentialAnalyzer::storageLayout_
protected

Definition at line 118 of file SequentialAnalyzer.hpp.

Referenced by doSequence().

◆ times_

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

◆ values_

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

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