CDPL::Pharm::ScreeningProcessor Class Reference

ScreeningProcessor. More...

#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 (const ScreeningProcessor &proc)=delete
	~ScreeningProcessor ()
ScreeningProcessor &	operator= (const ScreeningProcessor &proc)=delete
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() [1/2]

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() [2/2]

CDPL::Pharm::ScreeningProcessor::ScreeningProcessor ( const ScreeningProcessor &  proc )

delete

~ScreeningProcessor()

CDPL::Pharm::ScreeningProcessor::~ScreeningProcessor

(

)

Destructor.

Member Function Documentation

operator=()

ScreeningProcessor& CDPL::Pharm::ScreeningProcessor::operator= ( const ScreeningProcessor &  proc )

delete

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