CDPL.Pharm.ScreeningDBCreator Class Reference

A class for the creation of optimized pharmacophore screening databases. More...

Inheritance diagram for CDPL.Pharm.ScreeningDBCreator:

Classes
class	Mode

Public Member Functions
None	__init__ ()
	Initializes the ScreeningDBCreator instance.
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
None	open (str name, Mode mode=CDPL.Pharm.Mode.CREATE, bool allow_dup_entries=True)
None	close ()
Mode	getMode ()
bool	allowDuplicateEntries ()
bool	process (Chem.MolecularGraph molgraph)
bool	merge (ScreeningDBAccessor db_acc, BoolDoubleFunctor func)
int	getNumProcessed ()
int	getNumRejected ()
int	getNumDeleted ()
int	getNumInserted ()
str	getDatabaseName ()

Properties
	objectID = property(getObjectID)
	mode = property(getMode)
	allowDuplicates = property(allowDuplicateEntries)
	numProcessed = property(getNumProcessed)
	numRejected = property(getNumRejected)
	numDeleted = property(getNumDeleted)
	numInserted = property(getNumInserted)
	databaseName = property(getDatabaseName)

Detailed Description

A class for the creation of optimized pharmacophore screening databases.

Member Function Documentation

getObjectID()

int CDPL.Pharm.ScreeningDBCreator.getObjectID

(

)

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

Different Python ScreeningDBCreator 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 ScreeningDBCreator 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.

open()

None CDPL.Pharm.ScreeningDBCreator.open	(	str	name,
		Mode	mode = CDPL.Pharm.Mode.CREATE,
		bool	allow_dup_entries = True
	)

Parameters

name
mode
allow_dup_entries

getMode()

Mode CDPL.Pharm.ScreeningDBCreator.getMode

(

)

Returns

allowDuplicateEntries()

bool CDPL.Pharm.ScreeningDBCreator.allowDuplicateEntries

(

)

Returns

process()

bool CDPL.Pharm.ScreeningDBCreator.process

(

Chem.MolecularGraph

molgraph

)

Parameters

molgraph

Returns

merge()

bool CDPL.Pharm.ScreeningDBCreator.merge	(	ScreeningDBAccessor	db_acc,
		BoolDoubleFunctor	func
	)

Parameters

db_acc
func

Returns

getNumProcessed()

int CDPL.Pharm.ScreeningDBCreator.getNumProcessed

(

)

Returns

getNumRejected()

int CDPL.Pharm.ScreeningDBCreator.getNumRejected

(

)

Returns

getNumDeleted()

int CDPL.Pharm.ScreeningDBCreator.getNumDeleted

(

)

Returns

getNumInserted()

int CDPL.Pharm.ScreeningDBCreator.getNumInserted

(

)

Returns

getDatabaseName()

str CDPL.Pharm.ScreeningDBCreator.getDatabaseName

(

)

Returns