nx_chem_adulterant_db_test.nx
buildroot/runtime/nx_chem_adulterant_db_test.nx
about
nx_chem_adulterant_db_test.nx -- C4.0 KAT + END-TO-END lab demo.
The KAT validates that the seed DB parses correctly, m/z values
match published reference, and lookup-by-m/z returns expected
matches. The demo at the end prints a realistic lab-report output
for a synthetic 4-peak LC-MS observation.
expect_exit: 0
license_tier: ORIGINAL
dependencies 9 imports · 0 importers
imports: nx_chem.nxnx_chem_molecule.nxnx_chem_smiles.nxnx_chem_periodic.nxnx_chem_valence.nxnx_chem_mass.nxnx_chem_isotope_pattern.nxnx_chem_adulterant_db.nxnx_chem_peak_list.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
| 24 | func a_seed_count() -> nx_int |
| 34 | func b_sibutramine_signature() -> nx_int |
| 47 | func c_caffeine_signature() -> nx_int |
| 61 | func d_lookup_sibutramine() -> nx_int |
| 77 | func e_lookup_no_match() -> nx_int |
| 89 | func f_lookup_3ppm_offset() -> nx_int |
| 103 | func g_lookup_10ppm_offset() -> nx_int |
| 117 | func i_rt_lookup_no_ref_rt() -> nx_int |
| 132 | func j_rt_off_rejected() -> nx_int |
| 148 | func k_rt_on_matches() -> nx_int |
| 163 | func l_rt_zero_observed_bypasses() -> nx_int |
| 177 | func h_distinct_mz() -> nx_int |
| 200 | func o_load_compounds() -> nx_int |
| 248 | func n_new_halogen_sigs() -> nx_int |
| 262 | func m_load_rt_calibration() -> nx_int |
| 311 | func run_lab_demo() -> nx_int |
| 388 | func main() -> nx_exit |