Chemical Data Processing Library Python API - Version 1.1.1
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Public Member Functions | |
None | __init__ () |
Initializes the ScreeningProcessor instance. | |
None | __init__ (Chem.MolecularGraph query) |
Initializes the ScreeningProcessor instance. More... | |
int | getObjectID () |
Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
None | setHitCallback (VoidMolecularGraph2AlignmentResultFunctor func) |
VoidMolecularGraph2AlignmentResultFunctor | getHitCallback () |
ScreeningSettings | getSettings () |
None | clearQuerySet () |
None | addQuery (Chem.MolecularGraph molgraph) |
int | getQuerySetSize () |
Chem.MolecularGraph | getQuery (int idx) |
bool | process (Chem.MolecularGraph molgraph) |
Properties | |
objectID = property(getObjectID) | |
hitCallback = property(getHitCallback, setHitCallback) | |
settings = property(getSettings) | |
querySetSize = property(getQuerySetSize) | |
None CDPL.Shape.ScreeningProcessor.__init__ | ( | Chem.MolecularGraph | query | ) |
Initializes the ScreeningProcessor instance.
query |
int CDPL.Shape.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()
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None CDPL.Shape.ScreeningProcessor.setHitCallback | ( | VoidMolecularGraph2AlignmentResultFunctor | func | ) |
func |
VoidMolecularGraph2AlignmentResultFunctor CDPL.Shape.ScreeningProcessor.getHitCallback | ( | ) |
ScreeningSettings CDPL.Shape.ScreeningProcessor.getSettings | ( | ) |
None CDPL.Shape.ScreeningProcessor.addQuery | ( | Chem.MolecularGraph | molgraph | ) |
molgraph |
int CDPL.Shape.ScreeningProcessor.getQuerySetSize | ( | ) |
Chem.MolecularGraph CDPL.Shape.ScreeningProcessor.getQuery | ( | int | idx | ) |
idx |
bool CDPL.Shape.ScreeningProcessor.process | ( | Chem.MolecularGraph | molgraph | ) |
molgraph |