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make pdos a plugin #459

Merged
merged 1 commit into from
Sep 6, 2023
Merged

make pdos a plugin #459

merged 1 commit into from
Sep 6, 2023

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superstar54
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@superstar54 superstar54 commented Sep 6, 2023

Follow PR #456 and PR #458 , this PR makes the pdos as a plugin. It implements:

  • UI part. Only the outline and result panel are added.
  • Workchain part.

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codecov bot commented Sep 6, 2023

Codecov Report

Patch coverage: 35.29% and project coverage change: -0.50% ⚠️

Comparison is base (c3ef810) 56.69% compared to head (53ad400) 56.19%.

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #459      +/-   ##
==========================================
- Coverage   56.69%   56.19%   -0.50%     
==========================================
  Files          36       39       +3     
  Lines        2593     2657      +64     
==========================================
+ Hits         1470     1493      +23     
- Misses       1123     1164      +41     
Flag Coverage Δ
python-3.10 56.19% <35.29%> (-0.50%) ⬇️
python-3.8 56.23% <35.29%> (-0.51%) ⬇️
python-3.9 56.23% <35.29%> (-0.51%) ⬇️

Flags with carried forward coverage won't be shown. Click here to find out more.

Files Changed Coverage Δ
src/aiidalab_qe/app/configuration/__init__.py 32.63% <ø> (+0.67%) ⬆️
src/aiidalab_qe/workflows/__init__.py 52.98% <0.00%> (+2.98%) ⬆️
src/aiidalab_qe/plugins/pdos/result.py 14.28% <14.28%> (ø)
src/aiidalab_qe/app/submission/__init__.py 70.70% <75.00%> (ø)
src/aiidalab_qe/plugins/pdos/workchain.py 92.85% <92.85%> (ø)
src/aiidalab_qe/app/configuration/workflow.py 100.00% <100.00%> (ø)
src/aiidalab_qe/plugins/pdos/__init__.py 100.00% <100.00%> (ø)
tests/test_entry_point.py 100.00% <100.00%> (ø)

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@unkcpz unkcpz left a comment

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Just one minor request, the refactoring looks very nice! Thanks!

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I think most of the functions in this file moved from the result.electronic_structure module, but I didn't see the original codes were deleted.

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As we discussed offline, the original code are required by both pdos and bands plugins. It'll be better to find a better way to put the shared modules of multiple plugins. @superstar54 will take care of it after and open a dedicate issue for it. I approve this PR.

@superstar54 superstar54 merged commit 7c68965 into main Sep 6, 2023
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@superstar54 superstar54 deleted the plugin_pdos branch September 6, 2023 12:05
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2 participants