diff --git a/src/macro_lactone_toolkit/__init__.py b/src/macro_lactone_toolkit/__init__.py index 51389b3..734c93c 100644 --- a/src/macro_lactone_toolkit/__init__.py +++ b/src/macro_lactone_toolkit/__init__.py @@ -36,8 +36,10 @@ __all__ = [ "MacrolactoneDetectionError", "MacrolactoneError", "MacrolactoneFragmenter", + "MacrolactoneValidator", "MacrocycleClassificationResult", "numbered_molecule_svg", + "ParentMolecule", "RingNumberingError", "RingNumberingResult", "results_to_dataframe", @@ -48,4 +50,11 @@ __all__ = [ "write_result_json", ] +# Validation module (optional import) +try: + from .validation.validator import MacrolactoneValidator + from .validation.models import ParentMolecule, SideChainFragment +except ImportError: + pass # SQLModel not installed + __version__ = "0.1.0"