PwBaseWorkChain: do no assume output_band exists in band sanity check
#544
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…heck The `output_band` output of the `PwCalculation` is optional and, for example, when the setting `no_bands=True`, the band files will not be retrieved and consequentially not parsed. The process handler checking the bands `sanity_check_insufficient_bands`, however, assumed the output node is always there. This is changed to simply skip the check if the node is not there. Note that we do not check in the workchain whether the output should have been there, because the sanity check is only triggered for successful calculations, and if the output should have been there, the calculation should have been failed. If this is not the case, that is a bug in the parser and should be addressed there.
DanielMarchand
approved these changes
Aug 6, 2020
greschd
approved these changes
Aug 6, 2020
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Fixes #543
The
output_bandoutput of thePwCalculationis optional and, forexample, when the setting
no_bands=True, the band files will not beretrieved and consequentially not parsed. The process handler checking
the bands
sanity_check_insufficient_bands, however, assumed the outputnode is always there. This is changed to simply skip the check if the
node is not there.
Note that we do not check in the work chain whether the output should
have been there, because the sanity check is only triggered for
successful calculations, and if the output should have been there, the
calculation should have been failed. If this is not the case, that is a
bug in the parser and should be addressed there.