Chemical Data Processing Library Python API - Version 1.1.1
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NOTMolecularGraphMatchExpression. More...
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) | |
None CDPL.Chem.NOTMolecularGraphMatchExpression.__init__ | ( | NOTMolecularGraphMatchExpression | expr_ptr | ) |
Constructs a NOTMolecularGraphMatchExpression
object that wraps the match expression instance specified by expr_ptr.
expr_ptr | A reference to the wrapped Chem.MatchExpression instance. |
None CDPL.Chem.NOTMolecularGraphMatchExpression.__init__ | ( | MolecularGraphMatchExpression | expr_ptr | ) |
Constructs a NOTMolecularGraphMatchExpression
object that wraps the match expression instance specified by expr_ptr.
expr_ptr | A reference to the wrapped Chem.MatchExpression instance. |
NOTMolecularGraphMatchExpression CDPL.Chem.NOTMolecularGraphMatchExpression.assign | ( | NOTMolecularGraphMatchExpression | expression | ) |
Replaces the current state of self with a copy of the state of the NOTMolecularGraphMatchExpression instance expression.
expression | The NOTMolecularGraphMatchExpression instance to copy. |