orthonym.validation.spelling.checks_group_count#

Note

Internal API. Names and behaviour may change between releases.

Spelling check of the parent of a name by the number of principal characteristic groups it carries (registered with:func:orthonym.validation.pin_spelling.register).

A round trip proves the molecule, never the parent: OPSIN reads ‘N-(2-aminoethyl)aniline’ back to the structure of the preferred ‘N1-phenylethane-1,2-diamine’.

  • (the Blue Book): “The senior parent structure has the maximum number of substituents corresponding to the principal characteristic group (suffix) or senior parent hydride in accord with the seniority of classes and the seniority of suffixes.” (:26375): “Complex polyamines, i.e., compounds in which a choice between two or more parent hydrides must be made, are systems composed of two or more secondary and/or tertiary amines…. The senior parent amine structure is chosen in accordance with the choice of a principal chain or a senior ring or ring system, as described in “; the example ‘N1-(aminomethyl)ethane-1,2-diamine (PIN)’ (the diamine is the parent, the monoamine a prefix). A secondary or tertiary amine nitrogen is bonded to a carbon of each parent it can have, so it counts as a group of each of them,:26247).

The structure side counts, for the senior class present, the groups every candidate parent carries: each ring system, and every chain of acyclic carbons (the best path of the acyclic skeleton). A group is carried by a chain through its carbon (acid, amide, nitrile, aldehyde, ketone: the carbon of the group; alcohol and amine: a carbon bonded to the oxygen or the nitrogen) and by a ring system through an atom of the ring (a ketone), or through a ring atom bonded to the carbon of the group (the appended suffixes ‘carboxylic acid’, ‘carboxamide’, ‘carbonitrile’, ‘carbaldehyde’), or through a ring atom bonded to the oxygen or the nitrogen. The name side is the suffix the name cites (its multiplier and its locants) or the retained name (‘aniline’, ‘phenol’, ‘benzoic acid’,…). When the best candidate carries more groups than the name’s parent, the name is not the PIN. Names of other classes, functional class names, charged species and anything the reader cannot read with certainty are left alone.

orthonym.validation.spelling.checks_group_count.parent_group_count_check(mol, name)#

(:18875): the parent of the name carries the maximum number of principal groups.