code wiki / chem
topic: chem
35 modules sharing the chem name family (derived from the tree's prefix discipline).
The lab-science lane: food science, chemistry, peptide and supplement modelling with hundreds of gated assertions behind a public stability surface. The house pattern at its clearest — domain knowledge encoded as executable, gate-checked assertions rather than prose that can rot.
narrated overview -- maintained by the narration lane, module links verified against this wiki.
| module | description | lines | funcs |
|---|---|---|---|
| nx_chem.nx | chemistry primitives (atomic table + stoichiometry). | 153 | 7 |
| nx_chem_adulterant_db.nx | C4.0 milestone: first usable supplement-arc | 1223 | 16 |
| nx_chem_adulterant_db_test.nx | C4.0 KAT + END-TO-END lab demo. | 468 | 17 |
| nx_chem_descriptors.nx | C2.7 milestone: drug-likeness descriptors. | 377 | 10 |
| nx_chem_descriptors_test.nx | C2.7 KAT for HBD/HBA/rotatable | 308 | 16 |
| nx_chem_extended.nx | periodic table 1..36 + binary reaction balancer. | 219 | 9 |
| nx_chem_fingerprint.nx | C2.6 milestone: ECFP-style Morgan | 344 | 11 |
| nx_chem_fingerprint_test.nx | C2.6 KAT for ECFP-style Morgan | 240 | 12 |
| nx_chem_isotope_pattern.nx | C2.8b milestone: isotopologue M+1/M+2 | 146 | 3 |
| nx_chem_isotope_pattern_test.nx | C2.8b KAT. | 239 | 13 |
| nx_chem_mass.nx | C2.8a milestone: monoisotopic mass + ion m/z | 124 | 6 |
| nx_chem_mass_test.nx | C2.8a KAT for monoisotopic mass + ion m/z. | 251 | 12 |
| nx_chem_molecule.nx | C2.0 milestone: molecule graph primitive. | 330 | 12 |
| nx_chem_molecule_test.nx | C2.0 KAT for MolGraph struct + builder. | 279 | 13 |
| nx_chem_morgan.nx | C2.3c milestone: Morgan extended-connectivity | 379 | 9 |
| nx_chem_morgan_test.nx | C2.3c KAT for Morgan canonical ranking | 274 | 13 |
| nx_chem_peak_list.nx | C5.0 milestone: text-format peak list parser. | 404 | 10 |
| nx_chem_peak_list_test.nx | C5.0 KAT + integrated lab-pipeline demo. | 474 | 15 |
| nx_chem_periodic.nx | C1 milestone: periodic table 1..118 + | 591 | 4 |
| nx_chem_periodic_test.nx | C1 KAT for the full 1..118 periodic table | 334 | 11 |
| nx_chem_report_csv.nx | C6.1: CSV output format for lab analysts | 166 | 5 |
| nx_chem_report_csv_test.nx | C6.1 KAT. | 172 | 7 |
| nx_chem_report_json.nx | C6.0 milestone: structured JSON report | 312 | 9 |
| nx_chem_report_json_test.nx | C6.0 KAT + end-to-end JSON demo. | 248 | 10 |
| nx_chem_sildenafil_probe_test.nx | one-off SMILES parser probe. | 114 | 1 |
| nx_chem_smiles.nx | C2.1 + C2.2 milestones: basic SMILES parser. | 941 | 12 |
| nx_chem_smiles_emit.nx | C2.3b milestone: SMILES emit from MolGraph. | 945 | 17 |
| nx_chem_smiles_emit_test.nx | C2.3b KAT for SMILES emit. | 289 | 17 |
| nx_chem_smiles_test.nx | C2.1 KAT for the basic SMILES parser. | 653 | 24 |
| nx_chem_solution.nx | FOOD-SCIENCE SUITE / SOLUTION CHEMISTRY rung. The | 79 | 8 |
| nx_chem_solution_test.nx | smoke for nx_chem_solution. Proves | 33 | 1 |
| nx_chem_stereo_test.nx | C2.3d KAT: stereo emit (@/@@ for atoms + /\ | 454 | 14 |
| nx_chem_tadalafil_probe_test.nx | SMILES parser probe. | 115 | 1 |
| nx_chem_valence.nx | C2.3a milestone: implicit-H valence inference | 204 | 6 |
| nx_chem_valence_test.nx | C2.3a KAT for implicit-H + molecular weight. | 361 | 16 |