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Commit d0324ee

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fix: Fix error when forcefield metadata is undifiend
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  • src/mdverse_scrapers/scrapers

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src/mdverse_scrapers/scrapers/mddb.py

Lines changed: 5 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -177,9 +177,11 @@ def extract_forcefield_or_model_and_version(
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"""
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forcefields_and_models = []
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# Add forcefield names.
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for forcefield in dataset_metadata.get("FF", []):
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if isinstance(forcefield, str):
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forcefields_and_models.append(ForceFieldModel(name=forcefield.strip()))
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forcefields = dataset_metadata.get("FF")
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if forcefields:
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for forcefield in forcefields:
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if isinstance(forcefield, str):
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forcefields_and_models.append(ForceFieldModel(name=forcefield.strip()))
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# Add water model.
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water_model = dataset_metadata.get("WAT", "")
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if water_model:

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