| """Backfill 3D shape features into the existing AromaRegistry SQLite database.""" | |
| from __future__ import annotations | |
| import logging | |
| import sys | |
| from pathlib import Path | |
| sys.path.insert(0, str(Path(__file__).parent.parent / "src")) | |
| from pino.registry import AromaRegistry | |
| logging.basicConfig(level=logging.INFO, format="%(asctime)s %(levelname)s %(message)s") | |
| logger = logging.getLogger("backfill_shape_features") | |
| def main() -> None: | |
| registry = AromaRegistry() | |
| registry.backfill_shape_features() | |
| record = registry.get("5989-27-5") # Limonene | |
| if record: | |
| logger.info("Sample shape features for %s: %s", record["cas"], record.get("shape_features")) | |
| if __name__ == "__main__": | |
| main() | |