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nx_chem_descriptors_test.nx

buildroot/runtime/nx_chem_descriptors_test.nx

13423 B308 linesdepth 9pulls 13 transitivereach 0 importersview sourcekind gate/prooftopic chem

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nx_chem_descriptors_test.nx -- C2.7 KAT for HBD/HBA/rotatable bonds + partial Lipinski + partial Veber. expect_exit: 0 license_tier: ORIGINAL

dependencies 6 imports · 0 importers

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

16	func parse_with_h(src: u8, n: nx_int) -> MolGraph called by 14: a_water b_methane c_ethanol d_methylamine e_ethylamine_rot f_propylamine_rot+8 calls 3: nx_chem_parse_smiles nx_chem_compute_implicit_h nx_chem_descriptors_perceive_rings
26	func a_water() -> nx_int called by 1: main calls 5: parse_with_h nx_chem_count_hbd nx_chem_count_hba nx_chem_count_rotatable_bonds nx_chem_count_aromatic_atoms
39	func b_methane() -> nx_int called by 1: main calls 4: parse_with_h nx_chem_count_hbd nx_chem_count_hba nx_chem_count_rotatable_bonds
53	func c_ethanol() -> nx_int called by 1: main calls 5: parse_with_h nx_chem_count_hbd nx_chem_count_hba nx_chem_count_rotatable_bonds nx_chem_count_heavy_atoms
67	func d_methylamine() -> nx_int called by 1: main calls 3: parse_with_h nx_chem_count_hbd nx_chem_count_hba
83	func e_ethylamine_rot() -> nx_int called by 1: main calls 2: parse_with_h nx_chem_count_rotatable_bonds
99	func f_propylamine_rot() -> nx_int called by 1: main calls 2: parse_with_h nx_chem_count_rotatable_bonds
111	func g_benzene() -> nx_int called by 1: main calls 6: parse_with_h nx_chem_count_hbd nx_chem_count_hba nx_chem_count_rotatable_bonds nx_chem_count_aromatic_atoms nx_chem_approx_aromatic_rings
130	func h_cyclohexane() -> nx_int called by 1: main calls 5: parse_with_h nx_chem_count_hbd nx_chem_count_hba nx_chem_count_rotatable_bonds nx_chem_count_aromatic_atoms
149	func i_lipinski_ethanol_pass() -> nx_int called by 1: main calls 3: nx_chem_periodic_table_118 parse_with_h nx_chem_lipinski_ro5_partial
175	func j_peroxide() -> nx_int called by 1: main calls 5: nx_chem_periodic_table_118 parse_with_h nx_chem_count_hbd nx_chem_count_hba nx_chem_lipinski_ro5_partial
189	func k_veber_ethanol_pass() -> nx_int called by 1: main calls 2: parse_with_h nx_chem_veber_partial
200	func l_heavy_atom_count() -> nx_int called by 1: main calls 2: parse_with_h nx_chem_count_heavy_atoms
216	func m_ammonium() -> nx_int called by 1: main calls 3: parse_with_h nx_chem_count_hbd nx_chem_count_hba
229	func n_peroxide_rot() -> nx_int called by 1: main calls 2: parse_with_h nx_chem_count_rotatable_bonds
237	func main() -> nx_exit calls 14: a_water b_methane c_ethanol d_methylamine e_ethylamine_rot f_propylamine_rot+8