Chemical Data Processing Library Python API - Version 1.1.1
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ReactionAtomMappingMatchExpression. More...
Public Member Functions | |
None | __init__ (ReactionAtomMappingMatchExpression expr) |
Initializes a copy of the ReactionAtomMappingMatchExpression instance expr. More... | |
None | __init__ (AtomMapping atom_mapping) |
Constructs a ReactionAtomMappingMatchExpression instance for the specified reactant to product atom mapping. More... | |
ReactionAtomMappingMatchExpression | assign (ReactionAtomMappingMatchExpression expr) |
Replaces the current state of self with a copy of the state of the ReactionAtomMappingMatchExpression instance expr. More... | |
Public Member Functions inherited from CDPL.Chem.ReactionMatchExpression | |
None | __init__ () |
Initializes the ReactionMatchExpression 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__ (Reaction query_rxn, Reaction target_rxn, Base.Any aux_data) |
Performs an evaluation of the expression for the given query and target reactions. More... | |
bool | __call__ (Reaction query_rxn, Reaction target_rxn, AtomBondMapping mapping, Base.Any aux_data) |
Performs an evaluation of the expression for the given query and target reactions under consideration of the provided candidate atom/bond mapping. More... | |
Additional Inherited Members | |
Properties inherited from CDPL.Chem.ReactionMatchExpression | |
objectID = property(getObjectID) | |
None CDPL.Chem.ReactionAtomMappingMatchExpression.__init__ | ( | ReactionAtomMappingMatchExpression | expr | ) |
Initializes a copy of the ReactionAtomMappingMatchExpression instance expr.
expr | The ReactionAtomMappingMatchExpression instance to copy. |
None CDPL.Chem.ReactionAtomMappingMatchExpression.__init__ | ( | AtomMapping | atom_mapping | ) |
Constructs a ReactionAtomMappingMatchExpression
instance for the specified reactant to product atom mapping.
atom_mapping | Specifies the reactant to product atom mapping constraint that has to be fulfilled by matching target reactions. |
ReactionAtomMappingMatchExpression CDPL.Chem.ReactionAtomMappingMatchExpression.assign | ( | ReactionAtomMappingMatchExpression | expr | ) |
Replaces the current state of self with a copy of the state of the ReactionAtomMappingMatchExpression instance expr.
expr | The ReactionAtomMappingMatchExpression instance to copy. |