CDPL.Pharm.ScreeningProcessor Class Reference

ScreeningProcessor. More...

Inheritance diagram for CDPL.Pharm.ScreeningProcessor:

Classes
class	HitReportMode
class	SearchHit

Public Member Functions
None	__init__ (ScreeningDBAccessor db_acc)
	Constructs the ScreeningProcessor instance for the given screening database accessor db_acc. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
None	setDBAccessor (ScreeningDBAccessor db_acc)
ScreeningDBAccessor	getDBAccessor ()
None	setHitReportMode (HitReportMode mode)
HitReportMode	getHitReportMode ()
None	setMaxNumOmittedFeatures (int max_num)
int	getMaxNumOmittedFeatures ()
None	checkXVolumeClashes (bool check)
bool	xVolumeClashesChecked ()
None	seekBestAlignments (bool seek_best)
bool	bestAlignmentsSeeked ()
None	setHitCallback (BoolSearchHitDoubleFunctor func)
BoolSearchHitDoubleFunctor	getHitCallback ()
None	setProgressCallback (BoolSizeType2Functor func)
BoolSizeType2Functor	getProgressCallback ()
None	setScoringFunction (DoubleSearchHitFunctor func)
DoubleSearchHitFunctor	getScoringFunction ()
int	searchDB (FeatureContainer query, int mol_start_idx=0, int mol_end_idx=0)

Properties
	objectID = property(getObjectID)
	dbAcccessor = property(getDBAccessor, setDBAccessor)
	hitCallback = property(getHitCallback, setHitCallback)
	progressCallback = property(getProgressCallback, setProgressCallback)
	scoringFunction = property(getScoringFunction, setScoringFunction)
	hitReportMode = property(getHitReportMode, setHitReportMode)
	maxNumOmittedFeatures = property(getMaxNumOmittedFeatures, setMaxNumOmittedFeatures)
	checkXVolumes = property(xVolumeClashesChecked, checkXVolumeClashes)
	bestAlignments = property(bestAlignmentsSeeked, seekBestAlignments)

Detailed Description

ScreeningProcessor.

Constructor & Destructor Documentation

__init__()

None CDPL.Pharm.ScreeningProcessor.__init__

(

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.

Member Function Documentation

getObjectID()

int CDPL.Pharm.ScreeningProcessor.getObjectID

(

)

Returns the numeric identifier (ID) of the wrapped C++ class instance.

Different Python ScreeningProcessor instances may reference the same underlying C++ class instance. The commonly used Python expression a is not b thus cannot tell reliably whether the two ScreeningProcessor instances a and b reference different C++ objects. The numeric identifier returned by this method allows to correctly implement such an identity test via the simple expression a.getObjectID() != b.getObjectID().

Returns

The numeric ID of the internally referenced C++ class instance.

setDBAccessor()

None CDPL.Pharm.ScreeningProcessor.setDBAccessor

(

ScreeningDBAccessor

db_acc

)

Parameters

db_acc

getDBAccessor()

ScreeningDBAccessor CDPL.Pharm.ScreeningProcessor.getDBAccessor

(

)

Returns

setHitReportMode()

None CDPL.Pharm.ScreeningProcessor.setHitReportMode

(

HitReportMode

mode

)

Parameters

mode

getHitReportMode()

HitReportMode CDPL.Pharm.ScreeningProcessor.getHitReportMode

(

)

Returns

setMaxNumOmittedFeatures()

None CDPL.Pharm.ScreeningProcessor.setMaxNumOmittedFeatures

(

int

max_num

)

Parameters

max_num

getMaxNumOmittedFeatures()

int CDPL.Pharm.ScreeningProcessor.getMaxNumOmittedFeatures

(

)

Returns

checkXVolumeClashes()

None CDPL.Pharm.ScreeningProcessor.checkXVolumeClashes

(

bool

check

)

Parameters

check

xVolumeClashesChecked()

bool CDPL.Pharm.ScreeningProcessor.xVolumeClashesChecked

(

)

Returns

seekBestAlignments()

None CDPL.Pharm.ScreeningProcessor.seekBestAlignments

(

bool

seek_best

)

Parameters

seek_best

bestAlignmentsSeeked()

bool CDPL.Pharm.ScreeningProcessor.bestAlignmentsSeeked

(

)

Returns

setHitCallback()

None CDPL.Pharm.ScreeningProcessor.setHitCallback

(

BoolSearchHitDoubleFunctor

func

)

Parameters

func

getHitCallback()

BoolSearchHitDoubleFunctor CDPL.Pharm.ScreeningProcessor.getHitCallback

(

)

Returns

setProgressCallback()

None CDPL.Pharm.ScreeningProcessor.setProgressCallback

(

BoolSizeType2Functor

func

)

Parameters

func

getProgressCallback()

BoolSizeType2Functor CDPL.Pharm.ScreeningProcessor.getProgressCallback

(

)

Returns

setScoringFunction()

None CDPL.Pharm.ScreeningProcessor.setScoringFunction

(

DoubleSearchHitFunctor

func

)

Parameters

func

getScoringFunction()

DoubleSearchHitFunctor CDPL.Pharm.ScreeningProcessor.getScoringFunction

(

)

Returns

searchDB()

int CDPL.Pharm.ScreeningProcessor.searchDB	(	FeatureContainer	query,
		int	mol_start_idx = 0,
		int	mol_end_idx = 0
	)

Parameters

query
mol_start_idx
mol_end_idx

Returns