Source code for Scripts.WorkflowScripts.ValidateData

"""
Validate integrity of NMRlipids Data.

This script verifies that the databank can be initialized and that lipid
and molecule sets can be constructed from the data files.
"""  # noqa: INP001
import logging
import sys

logging.basicConfig(
    format="%(asctime)s [%(levelname)s]: %(message)s",
    datefmt="%I:%M:%S %p",
    level=logging.INFO,
)
logger = logging.getLogger(__name__)



def check_integrity() -> None:
    """Run imports of lipid_set and molecule_set"""
    from DatabankLib.core import initialize_databank  # noqa: PLC0415
    from DatabankLib.settings.molecules import lipids_set, molecules_set  # noqa: F401, PLC0415
    initialize_databank()


if __name__ == "__main__":

    try:
        check_integrity()
        logger.info("DatabankLib integrity check passed")
    except Exception:
        logger.exception("DatabankLib integrity check failed")
        sys.exit(1)