use rdkit_sys::mol_ops_ffi::*; #[test] fn test_mol_ops_substruct_match_as_bool() { cxx::let_cxx_string!(smiles = "c1ccccc1CCCCCCCC"); let mol = rdkit_sys::ro_mol_ffi::smiles_to_mol(&smiles).unwrap(); let params = new_remove_hs_parameters(); let mut new_mol = remove_hs_parameters(&mol, ¶ms, true); let new_smiles = rdkit_sys::ro_mol_ffi::mol_to_smiles(&new_mol); romol_set_hybridization(&mut new_mol); assert_eq!(new_smiles, "CCCCCCCCc1ccccc1"); } #[test] fn test_mol_ops_cleanup() { cxx::let_cxx_string!(smiles = "[H]C([H])([H])([H])"); let ro_mol = rdkit_sys::ro_mol_ffi::smiles_to_mol(&smiles).unwrap(); let mut rw_mol = rdkit_sys::rw_mol_ffi::rw_mol_from_ro_mol(&ro_mol, true, 0); clean_up(&mut rw_mol); let new_ro_mol = rdkit_sys::rw_mol_ffi::rw_mol_to_ro_mol(rw_mol); // low-cost pointer swap let smiles = rdkit_sys::ro_mol_ffi::mol_to_smiles(&new_ro_mol); assert_eq!(smiles, "C"); }