Chemical Data Processing Library Python API - Version 1.2.0
Public Member Functions | List of all members
CDPL.Chem.NOTMolecularGraphMatchExpression Class Reference

NOTMolecularGraphMatchExpression. More...

+ Inheritance diagram for CDPL.Chem.NOTMolecularGraphMatchExpression:

Public Member Functions

None __init__ (NOTMolecularGraphMatchExpression expr_ptr)
 Constructs a NOTMolecularGraphMatchExpression object that wraps the match expression instance specified by expr_ptr. More...
 
None __init__ (MolecularGraphMatchExpression expr_ptr)
 Constructs a NOTMolecularGraphMatchExpression object that wraps the match expression instance specified by expr_ptr. More...
 
NOTMolecularGraphMatchExpression assign (NOTMolecularGraphMatchExpression expression)
 Replaces the current state of self with a copy of the state of the NOTMolecularGraphMatchExpression instance expression. More...
 
- Public Member Functions inherited from CDPL.Chem.MolecularGraphMatchExpression
None __init__ ()
 Initializes the MolecularGraphMatchExpression instance.
 
int getObjectID ()
 Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
 
bool requiresAtomBondMapping ()
 Tells whether the expression must be reevaluated after a query to target atom/bond mapping candidate has been found. More...
 
bool __call__ (MolecularGraph query_molgraph, MolecularGraph target_molgraph, Base.Any aux_data)
 Performs an evaluation of the expression for the given query and target molecular graphs. More...
 
bool __call__ (MolecularGraph query_molgraph, MolecularGraph target_molgraph, AtomBondMapping mapping, Base.Any aux_data)
 Performs an evaluation of the expression for the given query and target molecular graphs under consideration of the provided candidate atom/bond mapping. More...
 

Additional Inherited Members

- Properties inherited from CDPL.Chem.MolecularGraphMatchExpression
 objectID = property(getObjectID)
 

Detailed Description

NOTMolecularGraphMatchExpression.

Constructor & Destructor Documentation

◆ __init__() [1/2]

None CDPL.Chem.NOTMolecularGraphMatchExpression.__init__ ( NOTMolecularGraphMatchExpression  expr_ptr)

Constructs a NOTMolecularGraphMatchExpression object that wraps the match expression instance specified by expr_ptr.

Parameters
expr_ptrA reference to the wrapped Chem.MatchExpression instance.

◆ __init__() [2/2]

None CDPL.Chem.NOTMolecularGraphMatchExpression.__init__ ( MolecularGraphMatchExpression  expr_ptr)

Constructs a NOTMolecularGraphMatchExpression object that wraps the match expression instance specified by expr_ptr.

Parameters
expr_ptrA reference to the wrapped Chem.MatchExpression instance.

Member Function Documentation

◆ assign()

NOTMolecularGraphMatchExpression CDPL.Chem.NOTMolecularGraphMatchExpression.assign ( NOTMolecularGraphMatchExpression  expression)

Replaces the current state of self with a copy of the state of the NOTMolecularGraphMatchExpression instance expression.

Parameters
expressionThe NOTMolecularGraphMatchExpression instance to copy.
Returns
self