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from emmet.core.base import EmmetBaseModel
from typing import Dict
try:
from pymatgen.analysis.alloys.core import (
AlloyPair,
AlloySystem,
)
except ImportError:
raise ImportError(
"Install pymatgen-analysis-alloys to use AlloyPairDoc or AlloySystemDoc"
)
class AlloyPairDoc(EmmetBaseModel):
alloy_pair: AlloyPair
pair_id: str
# fields useful for building search indices
_search: Dict
@classmethod
def from_pair(cls, pair: AlloyPair):
return cls(alloy_pair=pair, pair_id=pair.pair_id, _search=pair.search_dict())
class AlloySystemDoc(EmmetBaseModel):
alloy_system: AlloySystem
alloy_id: str
@classmethod
def from_pair(cls, alloy_system: AlloySystem):
# Too large to duplicate alloy pairs here.
alloy_system.alloy_pairs = None # type: ignore[assignment]
return cls(alloy_system=alloy_system, alloy_id=alloy_system.alloy_id)
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