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""" Core definition of a Materials Document """
from __future__ import annotations
from typing import Sequence, Type, TypeVar, Union, List, Optional
from pydantic import Field, field_validator
from pymatgen.core import Structure
from datetime import datetime
from emmet.core.material import PropertyOrigin
from emmet.core.mpid import MPID
from emmet.core.structure import StructureMetadata
from emmet.core.vasp.validation import DeprecationMessage
from emmet.core.common import convert_datetime
S = TypeVar("S", bound="PropertyDoc")
class PropertyDoc(StructureMetadata):
"""
Base model definition for any singular materials property. This may contain any amount
of structure metadata for the purpose of search
This is intended to be inherited and extended not used directly
"""
property_name: str
material_id: MPID = Field(
...,
description="The Materials Project ID of the material, used as a universal reference across property documents."
"This comes in the form: mp-******.",
)
deprecated: bool = Field(
...,
description="Whether this property document is deprecated.",
)
deprecation_reasons: Optional[List[Union[DeprecationMessage, str]]] = Field(
None,
description="List of deprecation tags detailing why this document isn't valid.",
)
last_updated: datetime = Field(
description="Timestamp for the most recent calculation update for this property.",
default_factory=datetime.utcnow,
)
origins: Sequence[PropertyOrigin] = Field(
[], description="Dictionary for tracking the provenance of properties."
)
warnings: Sequence[str] = Field(
[], description="Any warnings related to this property."
)
@field_validator("last_updated", mode="before")
@classmethod
def handle_datetime(cls, v):
return convert_datetime(cls, v)
@classmethod
def from_structure( # type: ignore[override]
cls: Type[S], meta_structure: Structure, material_id: MPID, **kwargs
) -> S:
"""
Builds a materials document using the minimal amount of information
"""
return super().from_structure(
meta_structure=meta_structure, material_id=material_id, **kwargs
) # type: ignore
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