Update template job to use ~~DataContainer~~ HasStorage #428
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pmrv
approved these changes
Sep 7, 2021
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Suggested a gotcha in to/from_hdf. GenericJob.to_hdf/from_hdf both set self._hdf5 aka self.project_hdf to hdf.open(group_name) if group_name is defined. It's therefore sufficient to point self._data to self.project_hdf5 and leave group_name to the default table_name. If that is not done, you'd end up writing both the job and its input in the same HDF5 group.
Co-authored-by: Marvin Poul <[email protected]>
Co-authored-by: Marvin Poul <[email protected]>
liamhuber
changed the title
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@pmrv I think I can actually dodge the gotcha altogether by leveraging one of your other fine creations ;) |
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@JNmpi here it is. I noticed also that this job type is not available to create, but is only accessible with
from pyiron_base import TemplateJob. My gut feeling is that this is mostly a parent class and not actually instantiated, so it's OK that it doesn't show up on the creation list?@jan-janssen sorry to pester you for review, but the only place this might have an impact is over in pyiron_experimental for pystem, temmeta, and matchseries. For the first two I can already see there's not going to be an impact, but matchseries is more complicated and it has no tests. Since you're the sole contributor there I'd appreciate if you'd quickly look over and/or set up a test.