Chemical Data Processing Library Python API - Version 1.2.0
Public Member Functions | Properties | List of all members
CDPL.Shape.ScreeningProcessor Class Reference
+ Inheritance diagram for CDPL.Shape.ScreeningProcessor:

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)
 

Constructor & Destructor Documentation

◆ __init__()

None CDPL.Shape.ScreeningProcessor.__init__ ( Chem.MolecularGraph  query)

Initializes the ScreeningProcessor instance.

Parameters
query

Member Function Documentation

◆ getObjectID()

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().

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

◆ setHitCallback()

None CDPL.Shape.ScreeningProcessor.setHitCallback ( VoidMolecularGraph2AlignmentResultFunctor  func)
Parameters
func

◆ getHitCallback()

VoidMolecularGraph2AlignmentResultFunctor CDPL.Shape.ScreeningProcessor.getHitCallback ( )
Returns

◆ getSettings()

ScreeningSettings CDPL.Shape.ScreeningProcessor.getSettings ( )
Returns

◆ addQuery()

None CDPL.Shape.ScreeningProcessor.addQuery ( Chem.MolecularGraph  molgraph)
Parameters
molgraph

◆ getQuerySetSize()

int CDPL.Shape.ScreeningProcessor.getQuerySetSize ( )
Returns

◆ getQuery()

Chem.MolecularGraph CDPL.Shape.ScreeningProcessor.getQuery ( int  idx)
Parameters
idx
Returns

◆ process()

bool CDPL.Shape.ScreeningProcessor.process ( Chem.MolecularGraph  molgraph)
Parameters
molgraph
Returns