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

ReactionAtomMappingMatchExpression. More...

+ Inheritance diagram for CDPL.Chem.ReactionAtomMappingMatchExpression:

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)
 

Detailed Description

ReactionAtomMappingMatchExpression.

Constructor & Destructor Documentation

◆ __init__() [1/2]

None CDPL.Chem.ReactionAtomMappingMatchExpression.__init__ ( ReactionAtomMappingMatchExpression  expr)

Initializes a copy of the ReactionAtomMappingMatchExpression instance expr.

Parameters
exprThe ReactionAtomMappingMatchExpression instance to copy.

◆ __init__() [2/2]

None CDPL.Chem.ReactionAtomMappingMatchExpression.__init__ ( AtomMapping  atom_mapping)

Constructs a ReactionAtomMappingMatchExpression instance for the specified reactant to product atom mapping.

Parameters
atom_mappingSpecifies the reactant to product atom mapping constraint that has to be fulfilled by matching target reactions.

Member Function Documentation

◆ assign()

ReactionAtomMappingMatchExpression CDPL.Chem.ReactionAtomMappingMatchExpression.assign ( ReactionAtomMappingMatchExpression  expr)

Replaces the current state of self with a copy of the state of the ReactionAtomMappingMatchExpression instance expr.

Parameters
exprThe ReactionAtomMappingMatchExpression instance to copy.
Returns
self