Open samwaseda opened 1 month ago
I have a prototype for accessing the output for Sphinx in the HDF5 file directly https://github.com/pyiron-dev/pyiron-hdf5-format
You should be able to just change project_hdf5
to content
in the sphinx output, then it'll be resolve the data container automatically. I added this to base some time ago, but never got to using it here.
https://github.com/pyiron/pyiron_atomistics/blob/4361b7b02f89148e249aac04d17dd6eeffdd1bff/pyiron_atomistics/atomistics/job/atomistic.py#L1032
The reason why this line fails is because Sphinx uses
DataContainer
and has tags likecells__index_2
, which obviously is not the same ascells
when it's accessed fromproject_hdf5
. I guess this topic really requires an overhaul discussion because it's a recurring issue with no structural solution in the current format