Skip to content

Commit

Permalink
Do not pop run_bands/pdos from builder parameters (#276)
Browse files Browse the repository at this point in the history
Using list pop of the `run_band/pdos` parameters will make it not accessible from the builder_parameters.
They are required by the output viewer widget.
  • Loading branch information
unkcpz authored Sep 7, 2022
1 parent 7091a12 commit b827240
Show file tree
Hide file tree
Showing 2 changed files with 5 additions and 5 deletions.
6 changes: 3 additions & 3 deletions aiidalab_qe/report.py
Original file line number Diff line number Diff line change
Expand Up @@ -29,9 +29,9 @@ def _generate_report_dict(qeapp_wc):
builder_parameters = qeapp_wc.get_extra("builder_parameters", {})

# Properties
run_relax = builder_parameters["relax_type"] != "none"
run_bands = builder_parameters.get("run_bands", False)
run_pdos = builder_parameters.get("run_pdos", False)
run_relax = builder_parameters.get("relax_type") != "none"
run_bands = builder_parameters.get("run_bands")
run_pdos = builder_parameters.get("run_pdos")

yield "relaxed", run_relax
yield "relax_method", builder_parameters["relax_type"].title()
Expand Down
4 changes: 2 additions & 2 deletions aiidalab_qe/steps.py
Original file line number Diff line number Diff line change
Expand Up @@ -857,10 +857,10 @@ def update_builder(buildy, resources, npools):
if "smearing_override" in parameters:
builder.smearing_override = Str(parameters["smearing_override"])

if not parameters.pop("run_bands"):
if not parameters.get("run_bands", False):
builder.pop("bands")

if not parameters.pop("run_pdos"):
if not parameters.get("run_pdos", False):
builder.pop("pdos")

resources = {
Expand Down

0 comments on commit b827240

Please sign in to comment.