code wiki / (root) / nx_chem_tadalafil_probe_test.nx

nx_chem_tadalafil_probe_test.nx

buildroot/runtime/nx_chem_tadalafil_probe_test.nx

5194 B115 linesdepth 10pulls 13 transitivereach 0 importersview sourcekind gate/prooftopic chem
docsdependenciesstructsconstsfunctions

about

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

nx_chem.nx nx_chem_molecule.nx nx_chem_smiles.nx nx_chem_periodic.nx nx_chem_valence.nx nx_chem_mass.nx nx_chem_tadalafil_probe_test.n

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

main nx_chem_parse_smiles nx_chem_mol_new smi_is_digit nx_chem_mol_atom nx_chem_mol_bond_add nx_chem_mol_bond smi_parse_bracket smi_is_digit ↻ smi_is_upper smi_is_lower smi_bracket_symbol_two_cha smi_bracket_symbol_single_ smi_aromatic_lower_to_z nx_chem_mol_atom_add smi_connect nx_chem_mol_atom ↻ nx_chem_mol_bond_add ↻ nx_chem_mol_bond ↻ smi_aromatic_lower_to_z ↻ smi_is_upper ↻ smi_organic_atom nx_chem_smiles_populate_st nx_chem_compute_implicit_h nx_chem_default_valence nx_chem_atom_bond_summary nx_chem_atomic_data_table_ nx_chem_mol_mh_plus_q4 nx_chem_mol_monoisotopic_m

structs

none

consts

none

functions

33func main() -> nx_exit