Closed pmrv closed 1 month ago
This allows .output to work with Sphinx jobs that use strange output format.
Does this break LAMMPS and VASP?
Changes Missing Coverage | Covered Lines | Changed/Added Lines | % | ||
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pyiron_atomistics/atomistics/job/atomistic.py | 13 | 20 | 65.0% | ||
pyiron_atomistics/table/funct.py | 23 | 37 | 62.16% | ||
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Files with Coverage Reduction | New Missed Lines | % | ||
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pyiron_atomistics/table/funct.py | 1 | 61.15% | ||
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Change from base Build 10106288863: | 0.01% |
Covered Lines: | 10707 |
Relevant Lines: | 15097 |
This allows .output to work with Sphinx jobs that use strange output format.
Does this break LAMMPS and VASP?
The only difference between .content and .project_hdf5 is that the former tries to to_object()
any DataContainers
it finds, but otherwise returns the same, so I can't see why it would make problems. Technically .content raises KeyErrors instead of ValueErrors which is what caused the test failures on the weekend, but since .output anyway always silenced those to None, no outside code should depend on this.
@samwaseda Can you add a test case for #1508?
@pmrv Should we adjust the pyiron table to also use content
rather than output
?
@pmrv Should we adjust the pyiron table to also use
content
rather thanoutput
?
You mean the predefined datamining functions? Yes, that would make sense.
@samwaseda Can you confirm this is working for SPHInx? I would like to release a new pyiron_atomistics
version today.
This allows .output to work with Sphinx jobs that use strange output format.