code wiki / (root) / nx_chem_isotope_pattern_test.nx

nx_chem_isotope_pattern_test.nx

buildroot/runtime/nx_chem_isotope_pattern_test.nx

9869 B239 linesdepth 8pulls 11 transitivereach 0 importersview sourcekind gate/prooftopic chem
docsdependenciesstructsconstsfunctions

about

nx_chem_isotope_pattern_test.nx -- C2.8b KAT. All M+1/M+2 reference values from textbook + IUPAC 2021 abundances. First-order linear approximation -- KATs use single-halogen molecules where first-order is accurate to within rounding. expect_exit: 0 license_tier: ORIGINAL

dependencies 5 imports · 0 importers

nx_chem.nx nx_chem_molecule.nx nx_chem_smiles.nx nx_chem_valence.nx nx_chem_isotope_pattern.nx nx_chem_isotope_pattern_test.n

imports: nx_chem.nxnx_chem_molecule.nxnx_chem_smiles.nxnx_chem_valence.nxnx_chem_isotope_pattern.nx

imported by: nobody (leaf or entry point)

call flow from main pre-order; caps 40 nodes / depth 6 declared; ↻ = already shown

main a_water parse_with_h 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_isotope_m1_q4 nx_chem_isotope_m2_q4 b_methane parse_with_h ↻ nx_chem_isotope_m1_q4 ↻ nx_chem_isotope_m2_q4 ↻ c_ethanol parse_with_h ↻ nx_chem_isotope_m1_q4 ↻ nx_chem_isotope_m2_q4 ↻ d_benzene parse_with_h ↻

structs

none

consts

none

functions

16func parse_with_h(src: *u8, n: nx_int) -> *MolGraph
called by 11: a_waterb_methanec_ethanold_benzenee_chloromethanef_bromomethane+5 calls 2: nx_chem_parse_smilesnx_chem_compute_implicit_h
28func a_water() -> nx_int
called by 1: main calls 3: parse_with_hnx_chem_isotope_m1_q4nx_chem_isotope_m2_q4
42func b_methane() -> nx_int
called by 1: main calls 3: parse_with_hnx_chem_isotope_m1_q4nx_chem_isotope_m2_q4
57func c_ethanol() -> nx_int
called by 1: main calls 3: parse_with_hnx_chem_isotope_m1_q4nx_chem_isotope_m2_q4
72func d_benzene() -> nx_int
called by 1: main calls 3: parse_with_hnx_chem_isotope_m1_q4nx_chem_isotope_m2_q4
94func e_chloromethane() -> nx_int
called by 1: main calls 3: parse_with_hnx_chem_isotope_m1_q4nx_chem_isotope_m2_q4
109func f_bromomethane() -> nx_int
called by 1: main calls 3: parse_with_hnx_chem_isotope_m1_q4nx_chem_isotope_m2_q4
124func g_methylamine() -> nx_int
called by 1: main calls 3: parse_with_hnx_chem_isotope_m1_q4nx_chem_isotope_m2_q4
138func h_methanethiol() -> nx_int
called by 1: main calls 3: parse_with_hnx_chem_isotope_m1_q4nx_chem_isotope_m2_q4
151func i_water_signature() -> nx_int
called by 1: main calls 2: parse_with_hnx_chem_halogen_signature
161func j_cl_signature() -> nx_int
called by 1: main calls 2: parse_with_hnx_chem_halogen_signature
171func k_br_signature() -> nx_int
called by 1: main calls 2: parse_with_hnx_chem_halogen_signature
178func main() -> nx_exit
calls 11: a_waterb_methanec_ethanold_benzenee_chloromethanef_bromomethane+5