shnitsel.io.shnitsel#

Submodules#

Functions#

`read_shnitsel_file`(path[, loading_parameters])	Opens a NetCDF4 file saved by shnitsel-tools, specially interpreting certain attributes.
`write_shnitsel_file`(dataset, savepath[, complevel])	Function to write a trajectory in Shnitsel format (xr.) to a ntcdf hdf5 file format.

Package Contents#

read_shnitsel_file(path, loading_parameters=None)#

Opens a NetCDF4 file saved by shnitsel-tools, specially interpreting certain attributes.

Parameters:

path (PathOptionsType) – The path of the file to open.
loading_parameters (LoadingParameters, optional) – Parameter settings for e.g. standard units or state names.

Returns:

An xarray.Dataset with any MultiIndex restored. A ShnitselDB with any MultiIndex restored and attributes decoded.

Return type:

xr.Dataset | xr.DataTree | None

Raises:

FileNotFoundError – If there is is nothing at path, or path is not a file.
ValueError (or other exception) – Raised by the underlying h5netcdf engine if the file is corrupted.

write_shnitsel_file(dataset, savepath, complevel=9)#

Function to write a trajectory in Shnitsel format (xr.) to a ntcdf hdf5 file format.

Strips all internal attributes first to avoid errors during writing. When writing directly with to_netcdf, errors might occur due to internally set attributes with problematic types.