orthonym.rules.bridged_fused_pin.numbering

Note

Internal API. Names and behaviour may change between releases.

Numbering of a bridged fused ring system: the fused parent’s own numberings, the bridge attachment rules and the bridge-atom locants.

(the Blue Book): “The fused ring system to be bridged is numbered in

the usual way.” A fixed numbering (a),:3221) leaves the parent’s symmetry as the only freedom: every numbering is the fixed one composed with an automorphism of the parent skeleton. (:14225,:14231) then chooses “(a) the lowest set of locants for all the bridge attachment points considered as a set” and “(b) lowest locants in the order of citation for the bridges”. (:14403) numbers the bridge atoms “continuing from the highest locant of the fused ring system”, starting “at the end of the chain… connected to the bridgehead of the fused ring system having the highest locant”; (:14440) numbers first “the bridge attached to the bridgehead with the higher locant at the first point of difference” and (:14450) numbers bridges on the same bridgeheads “in accordance with their order of citation”.

orthonym.rules.bridged_fused_pin.numbering.loc_key(loc)

Order of locants: 4 < 4a < 5, the Blue Book).

orthonym.rules.bridged_fused_pin.numbering.locant_tuple(locs)

class orthonym.rules.bridged_fused_pin.numbering.Numbering(atom_to_locant, attachment_set, citation_order, bridge_locants)

Bases: object

One candidate numbering: every ring-system atom (bridge atoms included) to its locant, plus the keys and the bridge citation it implies.

atom_to_locant: Dict[int, Any]

attachment_set: Tuple[Tuple[int, str], ...]

citation_order: Tuple[Tuple[int, str], ...]

bridge_locants: Tuple[Tuple[str, Tuple[Any, Any]], ...]

orthonym.rules.bridged_fused_pin.numbering.numberings(mol, split, prefixes)

Every candidate numbering of the bridged system, bridge atoms included.