nx_chem_tadalafil_probe_test.nx
buildroot/runtime/nx_chem_tadalafil_probe_test.nx
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nx_chem_tadalafil_probe_test.nx -- SMILES parser probe.
HONEST RESULT (2026-05-20):
Parser HANDLES the complex SMILES (multi-ring-closure + reuse +
benzodioxole bridging + ring-3 closure spanning a branch).
However the SMILES BYTES below were a manual transcription that
turned out to NOT represent canonical tadalafil structure:
Parser computed: C21H?N3O5 (21 C + 5 O)
Tadalafil real: C22H19N3O4 (22 C + 4 O)
So this probe demonstrates the PARSER works on complex pharma-class
SMILES; it does NOT validate tadalafil specifically. Tadalafil
deferred to C10.3 pending verified canonical SMILES from PubChem
CID 110635.
Probe retained as monitor: if parser breaks on this SMILES in
future, regression will fail.
Original (mistaken) SMILES: O=C1N(C)C(=O)CN1C1c2cc3c(cc2C2NC1c1ccc(OC)cc1)OCO3
Real tadalafil canonical: CN1CC(=O)N([C@@H]([C@H]2C3=CC=CC=C3NC2)C4=CC5=C(C=C4)OCO5)C1=O
expect_exit: 0
license_tier: ORIGINAL
dependencies 6 imports · 0 importers
imports: nx_chem.nxnx_chem_molecule.nxnx_chem_smiles.nxnx_chem_periodic.nxnx_chem_valence.nxnx_chem_mass.nx
imported by: nobody (leaf or entry point)
call flow from main pre-order; caps 40 nodes / depth 6 declared; ↻ = already shown
structs
| none |
consts
| none |
functions
| 33 | func main() -> nx_exit |