shnitsel.data.dataset_containers.frames

Classes

Frames

Definition of the protocol to support instantiation from

Module Contents

class Frames(ds)

Bases: shnitsel.data.dataset_containers.data_series.DataSeries

Definition of the protocol to support instantiation from xarray dataset structs.

Parameters:

ds (xarray.Dataset)

_is_multi_trajectory: bool = False

property as_frames: Self

Idempotent conversion to Frame instance

Return type:

Self

property as_trajectory: shnitsel.data.dataset_containers.trajectory.Trajectory

Attempt to convert this dataset into a Trajectory instance.

Drops the atrajectory and trajectory dimensions of the Frameset and replaces the frame dimension with a time dimension before conversion.

Returns:

The converted dataset underlying this Frameset.

Return type:

Trajectory

property leading_dim: str

The leading dimension along which consistent configurations are indexed. Usually time or frame.

Return type:

str

property trajid: int | str | None

Id of the trajectory. If assigned it is expected to be unique across the same input but may clash with other trajectory ids if multiple separate imports are combined or indepdendent simulation data is combined.

Return type:

int | str | None

property atrajectory: xarray.DataArray | None

Ids of the active trajectory in this frameset if present

Return type:

xarray.DataArray | None

property active_trajectory: xarray.DataArray | None

Ids of the active trajectory in this frameset if present

Return type:

xarray.DataArray | None

classmethod get_type_marker()

Return type:

str