trajectory_finalization#

Attributes#

NodeType

DataType

Functions#

finalize_loaded_trajectory(…)

Function to apply some final postprocessing common to all input routines that allow reading of single trajectories from input formats.

set_state_defaults(dataset, loading_parameters)

Helper function to apply default settings to dataset variables

normalize_dataset(ds)

Helper method to perform some standardized renaming operations as well as some

Module Contents#

NodeType#
DataType#
finalize_loaded_trajectory(dataset: shnitsel.data.tree.TreeNode[Any, DataType], loading_parameters: shnitsel.io.shared.helpers.LoadingParameters | None) → shnitsel.data.tree.TreeNode[Any, DataType]#
finalize_loaded_trajectory(dataset: DataType, loading_parameters: shnitsel.io.shared.helpers.LoadingParameters | None) → DataType
finalize_loaded_trajectory(dataset: None, loading_parameters: shnitsel.io.shared.helpers.LoadingParameters | None) → None

Function to apply some final postprocessing common to all input routines that allow reading of single trajectories from input formats.

Parameters:

  • dataset (xr.Dataset | Trajectory | Frames | NodeType | None) – The dataset to perform finalization on. Only updates Dataset, Trajectory and Frames data. All other data will be returned unchanged

  • loading_parameters (LoadingParameters | None) – Parameters to set some defaults.

Returns:

The same type as the original dataset parameter but potentially with some default values and conversions applied.

Return type:

xr.Dataset | Trajectory | Frames | NodeType | None

set_state_defaults(dataset, loading_parameters)#

Helper function to apply default settings to dataset variables for state names and state types if they have not been assigned at some point earlier during the configuration process.

Parameters:

  • dataset (xr.Dataset) – The dataset to set state name and state type information on.

  • loading_parameters (LoadingParameters | None) – Currently unused settings to be applied to trajectory import.

Returns:

The dataset but with default values for state types and state names

Return type:

xr.Dataset

normalize_dataset(ds)#

Helper method to perform some standardized renaming operations as well as some restructuring, e.g. if a multi-index is missing.

May also convert some legacy attributes to promoted dimensionless variables.

Parameters:

ds (xr.Dataset) – Dataset to normalize according to current Shnitsel standards

Returns:

The renamed dataset.

Return type:

xr.Dataset