PointGroupData

class emmet.core.symmetry.PointGroupData(**data)

Bases: BaseModel

Defines symmetry for a molecule document

Parameters:

• point_group (str | None)

• rotation_number (int | None)

• linear (bool | None)

• tolerance (float | None)

• eigen_tolerance (float | None)

• matrix_tolerance (float | None)

model_config: ClassVar[ConfigDict] = {}

Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].