File: charge_density.py

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python-emmet-core 0.84.2-2
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from pydantic import ConfigDict, BaseModel, Field
from datetime import datetime
from typing import Optional


class VolumetricDataDoc(BaseModel):
    """
    Volumetric data metadata for selected materials.
    """

    fs_id: Optional[str] = Field(
        None, description="Unique object ID for the charge density data."
    )

    last_updated: Optional[datetime] = Field(
        None,
        description="Timestamp for the most recent update to the charge density data.",
    )

    task_id: Optional[str] = Field(
        None,
        description="The Materials Project ID of the calculation producing the charge density data. "
        "This comes in the form: mp-******.",
    )

    model_config = ConfigDict(extra="allow")


class ChgcarDataDoc(VolumetricDataDoc):
    """
    Electron charge density metadata for selected materials.
    """