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nx_chem_adulterant_charge_test.nx

buildroot/runtime/nx_chem_adulterant_charge_test.nx

7883 B131 linesdepth 11pulls 18 transitivereach 0 importersview sourcekind gate/prooftopic chem
docsdependenciesstructsconstsfunctions

about

nx_chem_adulterant_charge_test.nx -- gate for the seq651 fix: charge-state screening in nx_chem_adulterant_db. The decisive test is T4/T5: take a REAL catalog entry, synthesise the peak an electrospray source would actually produce for it at z=2 and z=3, and show the OLD single-charge lookup returns ZERO while the new charge-aware lookup identifies it. That is the defect reproduced and then closed, not a claim that it was. expect_exit: 0 license_tier: ORIGINAL

dependencies 6 imports · 0 importers

nx_syscalls.nx nx_chem.nx nx_chem_molecule.nx nx_chem_periodic.nx nx_chem_mass.nx nx_chem_adulterant_db.nx nx_chem_adulterant_charge_test

imports: nx_syscalls.nxnx_chem.nxnx_chem_molecule.nxnx_chem_periodic.nxnx_chem_mass.nxnx_chem_adulterant_db.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_adulterant_db_seed nx_chem_atomic_data_table_ nx_chem_adulterant_db_new sys_mmap nxa_die sys_write sys_exit nxa_lock_take nxa_lock_addr sys_write ↻ nxa_lock_give nxa_lock_addr ↻ nxa_report_overrun sys_write ↻ nxa_dump_printable sys_write ↻ nxa_dump_sizes sys_write ↻ sys_mmap ↻ nx_chem_adulterant_seed_sm nx_chem_adulterant_db_add 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 ↻

structs

none

consts

none

functions

17func t_puts(s: *u8) -> i64 { var n: i64 = 0; while s[n] != (0 as u8) { n = n + 1 } sys_write(1, s, n); return 0 }
called by 1: main calls 1: sys_write
18func t_putn(v: i64) -> i64 { let bb: *u8 = sys_mmap(28); var m: i64 = v; if m < 0 { m = 0 - m; sys_write(1, "-" as *u8, 1) } let t: *u8 = sys_mmap(28); var k: i64 = 0; if m == 0 { t[0] = 48 as u8; k = 1 } while m > 0 { t[k] = (48 + (m % 10)) as u8; m = m / 10; k = k + 1 } var i: i64 = 0; while i < k { bb[i] = t[k - 1 - i]; i = i + 1 } sys_write(1, bb, k); return 0 }
called by 1: main calls 2: sys_mmapsys_write
22func esi_mz(mh_plus_q4: i64, z: i64) -> i64
called by 1: main
29func main() -> i64