orthonym.rules.bridged_fused_pin.prefixes

Note

Internal API. Names and behaviour may change between releases.

Bridge prefixes and their citation (slice S1: simple divalent acyclic bridges).

(the Blue Book): “A divalent acyclic hydrocarbon bridge is named as a

prefix derived from the corresponding unbranched hydrocarbon name by changing the final letter ‘e’ to ‘o’.” with the preferred prefixes ‘-CH2- methano’, ‘-CH2-CH2- ethano’, ‘-CH2-CH2-CH2- propano’, ‘-CH=CH- etheno’. (:14095-:14110): ‘-O-’ is ‘epoxy’ (a preselected prefix); ‘epithio’ and ‘epimino’ are general nomenclature only (the preselected ‘sulfano’ / ‘azano’ cannot be read back by OPSIN 2.9.0), so a name that carries one is recorded as not a PIN (bridged_fused.GENERAL_ONLY_BRIDGE_PREFIXES).

(:14173): “If there is more than one bridge, they are cited in alphabetical

order… Two or more identical bridges are indicated by the numerical prefixes ‘di’, ‘tri’, etc. with simple bridges… The locant pairs of identical bridges are separated by colons.” (:14181): the locants of a divalent symmetric bridge “are cited in numerical order”.

class orthonym.rules.bridged_fused_pin.prefixes.BridgePrefix(name: str, is_pin_form: bool)

Bases: object

name: str

is_pin_form: bool

orthonym.rules.bridged_fused_pin.prefixes.bridge_prefix(mol, split, i)

The prefix of bridge i of split, or None for a bridge slice S1 does not spell (composite, cyclic, charged, an unsaturation other than the one ‘-CH=CH-’ of etheno). Unsaturation is read from split.unsaturated (the ring double bonds of the input, independent of the Kekule structure RDKit picks).

orthonym.rules.bridged_fused_pin.prefixes.bridge_text(cited)

‘1,4-epoxy-4a,8a-ethano’, ‘1,4:5,8-dimethano’: groups of identical prefixes in alphabetical order, each group’s locant pairs ascending and joined by colons.