from rdkit import Chem
from rdkit.Chem import AllChem

smiles = "c2ccn3ccnc3c2"
for optimize_molecule_confs in [
    AllChem.UFFOptimizeMoleculeConfs,
    AllChem.MMFFOptimizeMoleculeConfs,
]:
    mol = Chem.AddHs(Chem.MolFromSmiles(smiles))
    AllChem.EmbedMolecule(mol)
    expected_n_aromatics = len([a for a in mol.GetAtoms() if a.GetIsAromatic()])
    optimize_molecule_confs(mol)
    # Chem.SanitizeMol(mol)  # SanitizeMol works
    actual_n_aromatics = len([a for a in mol.GetAtoms() if a.GetIsAromatic()])
    print(
        f"{optimize_molecule_confs.__name__}: {expected_n_aromatics=} == {actual_n_aromatics=}"
    )
    assert expected_n_aromatics == actual_n_aromatics