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nx_chem_smiles_emit_test.nx

buildroot/runtime/nx_chem_smiles_emit_test.nx

12404 B289 linesdepth 9pulls 11 transitivereach 0 importersview sourcekind gate/prooftopic chem
docsdependenciesstructsconstsfunctions

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nx_chem_smiles_emit_test.nx -- C2.3b KAT for SMILES emit. Round-trip test: SMILES -> MolGraph -> SMILES' -> MolGraph' compares structurally equal. Output SMILES may not be byte-identical to input (canonical ranking is C2.3c), but it must parse back to the same graph. expect_exit: 0 license_tier: ORIGINAL

dependencies 3 imports · 0 importers

nx_chem_molecule.nx nx_chem_smiles.nx nx_chem_smiles_emit.nx nx_chem_smiles_emit_test.nx

imports: nx_chem_molecule.nxnx_chem_smiles.nxnx_chem_smiles_emit.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 roundtrip_check 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_emit_smiles nx_chem_emit_state_new nx_chem_emit_byte nx_chem_emit_prescan nx_chem_emit_subtree nx_chem_emit_bond_marker nx_chem_emit_byte ↻ nx_chem_compute_stereo_par nx_chem_emit_atom_with_ste nx_chem_emit_byte ↻ nx_chem_atom_needs_bracket nx_chem_z_to_aromatic_lowe nx_chem_z_to_organic_aliph nx_chem_emit_uint nx_chem_z_to_bracket_symbo

structs

none

consts

none

functions

17func cmp_graphs(m1: *MolGraph, m2: *MolGraph) -> nx_int
called by 1: roundtrip_check calls 2: nx_chem_mol_atomnx_chem_mol_bond
44func roundtrip_check(src: *u8, n: nx_int, base_err: nx_int) -> nx_int
called by 11: a_waterb_methanec_ethanold_ethenee_ethynef_isobutane+5 calls 3: nx_chem_parse_smilesnx_chem_emit_smilescmp_graphs
62func a_water() -> nx_int
called by 1: main calls 1: roundtrip_check
70func b_methane() -> nx_int
called by 1: main calls 1: roundtrip_check
78func c_ethanol() -> nx_int
called by 1: main calls 1: roundtrip_check
87func d_ethene() -> nx_int
called by 1: main calls 1: roundtrip_check
96func e_ethyne() -> nx_int
called by 1: main calls 1: roundtrip_check
105func f_isobutane() -> nx_int
called by 1: main calls 1: roundtrip_check
114func g_cyclohexane() -> nx_int
called by 1: main calls 1: roundtrip_check
126func h_benzene() -> nx_int
called by 1: main calls 1: roundtrip_check
138func i_nacl() -> nx_int
called by 1: main calls 1: roundtrip_check
149func j_lead() -> nx_int
called by 1: main calls 1: roundtrip_check
158func k_diethyl_ether() -> nx_int
called by 1: main calls 1: roundtrip_check
167func l_emit_water_direct() -> nx_int
called by 1: main calls 2: nx_chem_parse_smilesnx_chem_emit_smiles
182func m_emit_ethene_direct() -> nx_int
called by 1: main calls 2: nx_chem_parse_smilesnx_chem_emit_smiles
201func n_emit_lead_direct() -> nx_int
called by 1: main calls 2: nx_chem_parse_smilesnx_chem_emit_smiles
219func main() -> nx_exit
calls 14: a_waterb_methanec_ethanold_ethenee_ethynef_isobutane+8