"""Read sulfur stereochemistry before and after V3000 conversion with chematic 1.1.7."""
import chematic

for smiles in ["C[S@](=O)c1ccccc1", "C[S@@](=O)c1ccccc1"]:
    original = chematic.from_smiles(smiles)
    block = original.to_mol_v3000(original.rdkit_2d_coords())
    restored = chematic.from_mol_v3000(block)
    before = original.cip_stereo(mode="accurate")[0]["descriptor"]
    after = restored.cip_stereo(mode="accurate")[0]["descriptor"]
    print(f"{smiles}: {before} -> {after}")