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nx_chem_valence_test.nx

buildroot/runtime/nx_chem_valence_test.nx

15449 B361 linesdepth 9pulls 12 transitivereach 0 importersview sourcekind gate/prooftopic chem

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nx_chem_valence_test.nx -- C2.3a KAT for implicit-H + molecular weight. Tests verify implicit-H inference matches Daylight 1988 organic-subset rules; molecular weights are checked against NIST WebBook standard values (atomic weights from IUPAC 2021 abridged). expect_exit: 0 license_tier: ORIGINAL

dependencies 5 imports · 0 importers

imports: nx_chem.nxnx_chem_molecule.nxnx_chem_smiles.nxnx_chem_periodic.nxnx_chem_valence.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

20	func a_default_valence() -> nx_int called by 1: main calls 1: nx_chem_default_valence
42	func b_methane_h() -> nx_int called by 1: main calls 4: nx_chem_parse_smiles nx_chem_compute_implicit_h nx_chem_mol_atom nx_chem_mol_h_count_total
56	func c_water_h() -> nx_int called by 1: main calls 3: nx_chem_parse_smiles nx_chem_compute_implicit_h nx_chem_mol_atom
69	func d_ethanol_h() -> nx_int called by 1: main calls 4: nx_chem_parse_smiles nx_chem_compute_implicit_h nx_chem_mol_atom nx_chem_mol_h_count_total
88	func e_ethene_h() -> nx_int called by 1: main calls 3: nx_chem_parse_smiles nx_chem_compute_implicit_h nx_chem_mol_atom
103	func f_ethyne_h() -> nx_int called by 1: main calls 3: nx_chem_parse_smiles nx_chem_compute_implicit_h nx_chem_mol_atom
118	func g_benzene_h() -> nx_int called by 1: main calls 4: nx_chem_parse_smiles nx_chem_compute_implicit_h nx_chem_mol_atom nx_chem_mol_h_count_total
141	func h_bracket_preserved() -> nx_int called by 1: main calls 3: nx_chem_parse_smiles nx_chem_compute_implicit_h nx_chem_mol_atom
155	func i_methane_mw() -> nx_int called by 1: main calls 4: nx_chem_periodic_table_118 nx_chem_parse_smiles nx_chem_compute_implicit_h nx_chem_mol_weight_q3
169	func j_water_mw() -> nx_int called by 1: main calls 4: nx_chem_periodic_table_118 nx_chem_parse_smiles nx_chem_compute_implicit_h nx_chem_mol_weight_q3
184	func k_ethanol_mw() -> nx_int called by 1: main calls 4: nx_chem_periodic_table_118 nx_chem_parse_smiles nx_chem_compute_implicit_h nx_chem_mol_weight_q3
200	func l_benzene_mw() -> nx_int called by 1: main calls 4: nx_chem_periodic_table_118 nx_chem_parse_smiles nx_chem_compute_implicit_h nx_chem_mol_weight_q3
224	func m_branched_olefin_mw() -> nx_int called by 1: main calls 5: nx_chem_periodic_table_118 nx_chem_parse_smiles nx_chem_compute_implicit_h nx_chem_mol_heavy_atom_count nx_chem_mol_weight_q3
256	func n_nacl_mw() -> nx_int called by 1: main calls 4: nx_chem_periodic_table_118 nx_chem_parse_smiles nx_chem_compute_implicit_h nx_chem_mol_weight_q3
275	func o_lead_mw() -> nx_int called by 1: main calls 4: nx_chem_periodic_table_118 nx_chem_parse_smiles nx_chem_compute_implicit_h nx_chem_mol_weight_q3
287	func main() -> nx_exit calls 15: a_default_valence b_methane_h c_water_h d_ethanol_h e_ethene_h f_ethyne_h+9