Inheritance diagram for CDPL.Chem.AtomConfigurationMatchExpression:

Public Member Functions
None	__init__ (AtomConfigurationMatchExpression expr)
	Initializes a copy of the AtomConfigurationMatchExpression instance expr. More...

None	__init__ (StereoDescriptor query_stereo_descr, Atom query_atom, bool not_match, bool allow_part_maps)
	Constructs an `AtomConfigurationMatchExpression` instance for the specified matching mode and stereo configuration constraints. More...

Public Member Functions inherited from CDPL.Chem.AtomMatchExpression
None	__init__ ()
	Initializes the AtomMatchExpression 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__ (Atom query_atom, MolecularGraph query_molgraph, Atom target_atom, MolecularGraph target_molgraph, Base.Any aux_data)
	Performs an evaluation of the expression for the given query and target objects. More...

bool	__call__ (Atom query_atom, MolecularGraph query_molgraph, Atom target_atom, MolecularGraph target_molgraph, AtomBondMapping mapping, Base.Any aux_data)
	Performs an evaluation of the expression for the given query and target objects under consideration of the provided candidate atom/bond mapping. More...

Additional Inherited Members
Properties inherited from CDPL.Chem.AtomMatchExpression
	objectID = property(getObjectID)

Detailed Description

Constructor & Destructor Documentation

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

Initializes a copy of the AtomConfigurationMatchExpression instance expr.

Parameters

expr	The AtomConfigurationMatchExpression instance to copy.

None CDPL.Chem.AtomConfigurationMatchExpression.__init__	(	StereoDescriptor	query_stereo_descr,
		Atom	query_atom,
		bool	not_match,
		bool	allow_part_maps
	)

Constructs an AtomConfigurationMatchExpression instance for the specified matching mode and stereo configuration constraints.

Parameters

query_stereo_descr	The descriptor object specifying the query atom's stereo configuration reference atoms and associated configuration constraints on matching target atoms.
query_atom	The atom for which this `AtomConfigurationMatchExpression` instance gets constructed.
not_match	Specifies whether the stereo configuration of a target atom actually has to match (`True`) or not match (`False`) the query configuration constraints.
allow_part_maps	Specifies whether or not a target atom that has an incomplete query to target neighbor atom/bond mapping shall be considered to match the query configuration constraints. This is important for maximum common substructure searches where the provided query to target atom mapping may not be complete.