#include <ScreeningProcessor.hpp>

Public Types
typedef std::shared_ptr< ScreeningProcessor >	SharedPointer

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

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 HitCallbackFunction &	getHitCallback () const

const ScreeningSettings &	getSettings () const

ScreeningSettings &	getSettings ()

void	clearQuerySet ()

void	addQuery (const Chem::MolecularGraph &molgraph)

std::size_t	getQuerySetSize () const

const Chem::MolecularGraph &	getQuery (std::size_t idx) const

ConstMolecularGraphIterator	getQuerySetBegin () const

ConstMolecularGraphIterator	getQuerySetEnd () const

bool	process (const Chem::MolecularGraph &molgraph)

Member Typedef Documentation

◆ SharedPointer

typedef std::shared_ptr<ScreeningProcessor> CDPL::Shape::ScreeningProcessor::SharedPointer

◆ ConstMolecularGraphIterator

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

◆ HitCallbackFunction

typedef std::function<void(const Chem::MolecularGraph&, const Chem::MolecularGraph&, const AlignmentResult&)> CDPL::Shape::ScreeningProcessor::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:

Shape/ScreeningProcessor.hpp

Public Types

Public Member Functions