#include <ScreeningProcessor.hpp>

Classes
class	SearchHit

Public Types
enum	HitReportMode { FIRST_MATCHING_CONF, BEST_MATCHING_CONF, ALL_MATCHING_CONFS }

typedef std::shared_ptr< ScreeningProcessor >	SharedPointer

typedef std::function< bool(const SearchHit &, double)>	HitCallbackFunction

typedef std::function< double(const SearchHit &)>	ScoringFunction

typedef std::function< bool(std::size_t, std::size_t)>	ProgressCallbackFunction

Public Member Functions
	ScreeningProcessor (ScreeningDBAccessor &db_acc)
	Constructs the `ScreeningProcessor` instance for the given screening database accessor db_acc. More...

	~ScreeningProcessor ()

void	setDBAccessor (ScreeningDBAccessor &db_acc)

ScreeningDBAccessor &	getDBAccessor () const

void	setHitReportMode (HitReportMode mode)

HitReportMode	getHitReportMode () const

void	setMaxNumOmittedFeatures (std::size_t max_num)

std::size_t	getMaxNumOmittedFeatures () const

void	checkXVolumeClashes (bool check)

bool	xVolumeClashesChecked () const

void	seekBestAlignments (bool seek_best)

bool	bestAlignmentsSeeked () const

void	setHitCallback (const HitCallbackFunction &func)

const HitCallbackFunction &	getHitCallback () const

void	setProgressCallback (const ProgressCallbackFunction &func)

const ProgressCallbackFunction &	getProgressCallback () const

void	setScoringFunction (const ScoringFunction &func)

const ScoringFunction &	getScoringFunction () const

std::size_t	searchDB (const FeatureContainer &query, std::size_t mol_start_idx=0, std::size_t mol_end_idx=0)

Detailed Description

ScreeningProcessor.

Member Typedef Documentation

◆ SharedPointer

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

◆ HitCallbackFunction

typedef std::function<bool(const SearchHit&, double)> CDPL::Pharm::ScreeningProcessor::HitCallbackFunction

◆ ScoringFunction

typedef std::function<double(const SearchHit&)> CDPL::Pharm::ScreeningProcessor::ScoringFunction

◆ ProgressCallbackFunction

typedef std::function<bool(std::size_t, std::size_t)> CDPL::Pharm::ScreeningProcessor::ProgressCallbackFunction

Member Enumeration Documentation

◆ HitReportMode

enum CDPL::Pharm::ScreeningProcessor::HitReportMode

Enumerator
FIRST_MATCHING_CONF
BEST_MATCHING_CONF
ALL_MATCHING_CONFS

Constructor & Destructor Documentation

◆ ScreeningProcessor()

CDPL::Pharm::ScreeningProcessor::ScreeningProcessor ( ScreeningDBAccessor & db_acc )

Constructs the ScreeningProcessor instance for the given screening database accessor db_acc.

Parameters

db_acc An accessor for the database to screen.

◆ ~ScreeningProcessor()

CDPL::Pharm::ScreeningProcessor::~ScreeningProcessor ( )

Destructor.

Member Function Documentation

◆ setDBAccessor()

void CDPL::Pharm::ScreeningProcessor::setDBAccessor ( ScreeningDBAccessor & db_acc )

◆ getDBAccessor()

ScreeningDBAccessor& CDPL::Pharm::ScreeningProcessor::getDBAccessor ( ) const

◆ setHitReportMode()

void CDPL::Pharm::ScreeningProcessor::setHitReportMode ( HitReportMode mode )

◆ getHitReportMode()

HitReportMode CDPL::Pharm::ScreeningProcessor::getHitReportMode ( ) const

◆ setMaxNumOmittedFeatures()

void CDPL::Pharm::ScreeningProcessor::setMaxNumOmittedFeatures ( std::size_t max_num )

◆ getMaxNumOmittedFeatures()

std::size_t CDPL::Pharm::ScreeningProcessor::getMaxNumOmittedFeatures ( ) const

◆ checkXVolumeClashes()

void CDPL::Pharm::ScreeningProcessor::checkXVolumeClashes ( bool check )

◆ xVolumeClashesChecked()

bool CDPL::Pharm::ScreeningProcessor::xVolumeClashesChecked ( ) const

◆ seekBestAlignments()

void CDPL::Pharm::ScreeningProcessor::seekBestAlignments ( bool seek_best )

◆ bestAlignmentsSeeked()

bool CDPL::Pharm::ScreeningProcessor::bestAlignmentsSeeked ( ) const

◆ setHitCallback()

void CDPL::Pharm::ScreeningProcessor::setHitCallback ( const HitCallbackFunction & func )

◆ getHitCallback()

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

◆ setProgressCallback()

void CDPL::Pharm::ScreeningProcessor::setProgressCallback ( const ProgressCallbackFunction & func )

◆ getProgressCallback()

const ProgressCallbackFunction& CDPL::Pharm::ScreeningProcessor::getProgressCallback ( ) const

◆ setScoringFunction()

void CDPL::Pharm::ScreeningProcessor::setScoringFunction ( const ScoringFunction & func )

◆ getScoringFunction()

const ScoringFunction& CDPL::Pharm::ScreeningProcessor::getScoringFunction ( ) const

◆ searchDB()

std::size_t CDPL::Pharm::ScreeningProcessor::searchDB	(	const FeatureContainer &	query,
		std::size_t	mol_start_idx = `0`,
		std::size_t	mol_end_idx = `0`
	)

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

Pharm/ScreeningProcessor.hpp

Classes

Public Types

Public Member Functions