rdkit-sys 0.4.12

RDKit CFFI library builder and bindings
Documentation 
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use cxx::let_cxx_string;

#[test]
fn test_tautomer_enumerator() {
    let_cxx_string!(smiles = "c1ccccc1C(=O)NC");
    let mol = rdkit_sys::ro_mol_ffi::smiles_to_mol(&smiles).unwrap();
    let tautomer_enumerator = rdkit_sys::mol_standardize_ffi::tautomer_enumerator();
    let tautomer_enumerator_result =
        rdkit_sys::mol_standardize_ffi::tautomer_enumerate(&tautomer_enumerator, &mol);
    let size = rdkit_sys::mol_standardize_ffi::tautomer_enumerator_result_tautomers_size(
        &tautomer_enumerator_result,
    );
    assert_eq!(size, 2);

    let first = rdkit_sys::mol_standardize_ffi::tautomer_enumerator_result_tautomers_at(
        &tautomer_enumerator_result,
        0,
    );
    let first_smiles = rdkit_sys::ro_mol_ffi::mol_to_smiles(&first);
    assert_eq!("CN=C(O)c1ccccc1", first_smiles);

    let second = rdkit_sys::mol_standardize_ffi::tautomer_enumerator_result_tautomers_at(
        &tautomer_enumerator_result,
        1,
    );
    let second_smiles = rdkit_sys::ro_mol_ffi::mol_to_smiles(&second);
    assert_eq!("CNC(=O)c1ccccc1", second_smiles);
}