Chemical Data Processing Library C++ API - Version 1.1.1
Public Types | Public Member Functions | List of all members
CDPL::Shape::ScreeningProcessor Class Reference

#include <ScreeningProcessor.hpp>

Public Types

typedef std::shared_ptr< ScreeningProcessorSharedPointer
 
typedef boost::indirect_iterator< MolecularGraphList::const_iterator, const Chem::MolecularGraphConstMolecularGraphIterator
 
typedef std::function< void(const Chem::MolecularGraph &, const Chem::MolecularGraph &, const AlignmentResult &)> HitCallbackFunction
 

Public Member Functions

 ScreeningProcessor ()
 
 ScreeningProcessor (const Chem::MolecularGraph &query)
 
 ~ScreeningProcessor ()
 
void setHitCallback (const HitCallbackFunction &func)
 
const HitCallbackFunctiongetHitCallback () const
 
const ScreeningSettingsgetSettings () const
 
ScreeningSettingsgetSettings ()
 
void clearQuerySet ()
 
void addQuery (const Chem::MolecularGraph &molgraph)
 
std::size_t getQuerySetSize () const
 
const Chem::MolecularGraphgetQuery (std::size_t idx) const
 
ConstMolecularGraphIterator getQuerySetBegin () const
 
ConstMolecularGraphIterator getQuerySetEnd () const
 
bool process (const Chem::MolecularGraph &molgraph)
 

Member Typedef Documentation

◆ SharedPointer

◆ ConstMolecularGraphIterator

typedef boost::indirect_iterator<MolecularGraphList::const_iterator, const Chem::MolecularGraph> CDPL::Shape::ScreeningProcessor::ConstMolecularGraphIterator

◆ HitCallbackFunction

Constructor & Destructor Documentation

◆ ScreeningProcessor() [1/2]

CDPL::Shape::ScreeningProcessor::ScreeningProcessor ( )

◆ ScreeningProcessor() [2/2]

CDPL::Shape::ScreeningProcessor::ScreeningProcessor ( const Chem::MolecularGraph query)

◆ ~ScreeningProcessor()

CDPL::Shape::ScreeningProcessor::~ScreeningProcessor ( )

Member Function Documentation

◆ setHitCallback()

void CDPL::Shape::ScreeningProcessor::setHitCallback ( const HitCallbackFunction func)

◆ getHitCallback()

const HitCallbackFunction& CDPL::Shape::ScreeningProcessor::getHitCallback ( ) const

◆ getSettings() [1/2]

const ScreeningSettings& CDPL::Shape::ScreeningProcessor::getSettings ( ) const

◆ getSettings() [2/2]

ScreeningSettings& CDPL::Shape::ScreeningProcessor::getSettings ( )

◆ clearQuerySet()

void CDPL::Shape::ScreeningProcessor::clearQuerySet ( )

◆ addQuery()

void CDPL::Shape::ScreeningProcessor::addQuery ( const Chem::MolecularGraph molgraph)

◆ getQuerySetSize()

std::size_t CDPL::Shape::ScreeningProcessor::getQuerySetSize ( ) const

◆ getQuery()

const Chem::MolecularGraph& CDPL::Shape::ScreeningProcessor::getQuery ( std::size_t  idx) const

◆ getQuerySetBegin()

ConstMolecularGraphIterator CDPL::Shape::ScreeningProcessor::getQuerySetBegin ( ) const

◆ getQuerySetEnd()

ConstMolecularGraphIterator CDPL::Shape::ScreeningProcessor::getQuerySetEnd ( ) const

◆ process()

bool CDPL::Shape::ScreeningProcessor::process ( const Chem::MolecularGraph molgraph)

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