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nx_chem_smiles_test.nx

buildroot/runtime/nx_chem_smiles_test.nx

26180 B653 linesdepth 8pulls 8 transitivereach 0 importersview sourcekind gate/prooftopic chem
docsdependenciesstructsconstsfunctions

about

nx_chem_smiles_test.nx -- C2.1 KAT for the basic SMILES parser. Each test case calls nx_chem_parse_smiles with a literal SMILES, verifies the resulting MolGraph has the expected atom + bond structure, and (for negative tests) verifies the structured error-code path. All test SMILES are well-known reference molecules; expected graphs hand-verified against OpenSMILES specification examples. expect_exit: 0 license_tier: ORIGINAL

dependencies 2 imports · 0 importers

nx_chem_molecule.nx nx_chem_smiles.nx nx_chem_smiles_test.nx

imports: nx_chem_molecule.nxnx_chem_smiles.nx

imported by: nobody (leaf or entry point)

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

main a_single_atoms mk1 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 tz nx_chem_mol_atom ↻ b_two_char_organic nx_chem_parse_smiles ↻ tz ↻ c_bonds mk2 nx_chem_parse_smiles ↻ tbo nx_chem_mol_bond ↻ mk3 nx_chem_parse_smiles ↻ d_ethanol mk3 ↻ tz ↻

structs

none

consts

none

functions

21func tz(m: *MolGraph, i: nx_int) -> nx_int
27func tbo(m: *MolGraph, i: nx_int) -> nx_int
33func mk1(c: nx_int) -> *MolGraph
40func mk2(c1: nx_int, c2: nx_int) -> *MolGraph
called by 1: c_bonds calls 1: nx_chem_parse_smiles
48func mk3(c1: nx_int, c2: nx_int, c3: nx_int) -> *MolGraph
57func mkn(bytes: *u8, n: nx_int) -> *MolGraph
64func a_single_atoms() -> nx_int
called by 1: main calls 2: mk1tz
93func b_two_char_organic() -> nx_int
called by 1: main calls 2: nx_chem_parse_smilestz
113func c_bonds() -> nx_int
called by 1: main calls 3: mk2tbomk3
138func d_ethanol() -> nx_int
called by 1: main calls 4: mk3tztbonx_chem_mol_bond
163func e_isobutane() -> nx_int
186func f_benzene() -> nx_int
221func g_cyclohexane() -> nx_int
called by 1: main calls 2: nx_chem_parse_smilestbo
242func h_brackets() -> nx_int
314func i_wildcard() -> nx_int
called by 1: main calls 2: mk1tz
325func j_disconnect() -> nx_int
called by 1: main calls 1: nx_chem_parse_smiles
338func k_errors() -> nx_int
called by 1: main calls 1: nx_chem_parse_smiles
386func l_diethyl_ether() -> nx_int
403func m_full_118_brackets() -> nx_int
called by 1: main calls 2: nx_chem_parse_smilestz
459func n_percent_rings() -> nx_int
485func o_atom_stereo() -> nx_int
511func p_bond_stereo() -> nx_int
546func q_atom_maps() -> nx_int
568func main() -> nx_exit