orthonym.data

Note

Internal API. Names and behaviour may change between releases.

Data module - Lookup tables and reference data.

Contains hand-curated data (primary) merged with auto-imported OPSIN data. Hand-curated entries always take precedence over OPSIN imports on conflict.

orthonym.data.get_retained_name(canonical_smiles)

Look up retained name from merged dictionary.

wp7: a producer that builds a larger name AROUND a retained component

(a nucleotide around ‘xanthosine’, a ring assembly, an anhydride,…) may still use an OPSIN-import trivial name without Blue Book PIN evidence; the component is recorded as a non-PIN fragment, so any shipped name that carries it is labelled below pin_verified. The whole-molecule PIN lookup (routing.dispatch_table._handle_retained_name) reads ALL_RETAINED_NAMES only.

orthonym.data.has_retained_name(canonical_smiles)

Check if a retained name exists for this SMILES.

orthonym.data.register_retained_name(canonical_smiles, name)

Register a retained name at runtime (for testing/dynamic use).

a phase REVIEW: this is the CANONICAL runtime registration API. The legacy data.retained_names.add_retained_name is a deprecated alias that now delegates here (per fix) so both APIs keep ALL_RETAINED_NAMES and the HC dict in sync.

Source: internal notes +.

orthonym.data.get_general_retained_name(canonical_smiles)

Look up a general-only (PIN-denied) retained name by canonical SMILES.

Returns None when no such name exists. Consulted ONLY by the --trivial fallback path (Task 1.9); the default PIN pipeline never calls this.

orthonym.data.get_unverified_retained_name(canonical_smiles)

A promoted OPSIN-import trivial name without PIN evidence, or None.