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from typing import List, Optional
from pydantic import BaseModel, Field
class SimilarityEntry(BaseModel):
"""
Find similar materials to a specified material based on crystal geometry.
"""
task_id: Optional[str] = Field(
None,
description="The Materials Project ID for the matched material. This comes in the form: mp-******.",
)
nelements: Optional[int] = Field(
None,
description="Number of elements in the matched material.",
)
dissimilarity: Optional[float] = Field(
None,
description="Dissimilarity measure for the matched material in %.",
)
formula: Optional[str] = Field(
None,
description="Formula of the matched material.",
)
class SimilarityDoc(BaseModel):
"""
Model for a document containing structure similarity data
"""
sim: Optional[List[SimilarityEntry]] = Field(
None,
description="List containing similar structure data for a given material.",
)
material_id: Optional[str] = Field(
None,
description="The Materials Project ID for the material. This comes in the form: mp-******",
)
|
