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Lines changed: 6 additions & 5 deletions

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mp_api/client/routes/materials/materials.py

Lines changed: 6 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -5,7 +5,7 @@
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from emmet.core.settings import EmmetSettings
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from emmet.core.symmetry import CrystalSystem
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from emmet.core.vasp.calc_types import RunType
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from emmet.core.vasp.material import MaterialsDoc, BlessedCalcs
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from emmet.core.vasp.material import BlessedCalcs, MaterialsDoc
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from pymatgen.core.structure import Structure
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from mp_api.client.core import BaseRester, MPRestError
@@ -42,6 +42,7 @@
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if TYPE_CHECKING:
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from typing import Any
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from pymatgen.entries.computed_entries import ComputedStructureEntry
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_EMMET_SETTINGS = EmmetSettings() # type: ignore
@@ -376,16 +377,16 @@ def get_blessed_entries(
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parallel_param="material_ids" if material_ids else None,
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chunk_size=chunk_size,
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num_chunks=num_chunks,
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)
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)
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return [
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{
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"material_id": doc["material_id"],
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"blessed_entry": (
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next(
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getattr(doc["entries"],k,None)
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getattr(doc["entries"], k, None)
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for k in BlessedCalcs.model_fields
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if getattr(doc["entries"],k,None)
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if getattr(doc["entries"], k, None)
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)
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if self.use_document_model
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else next(

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