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@unkcpz unkcpz commented Oct 4, 2023

fixes #351

  • unit test on the newly added feature.

unkcpz added 3 commits October 3, 2023 22:27
`_validate_and_fix_ase_cell` function is not needed anymore, since it add a
dummy cell to gas phase molecule. In the old AiiDA, there needed to be default
cell, otherwise StructureData would not work.
But that has been fixed so we should get rid of this login in AWB.

The fix in aiida-core was done here aiidateam/aiida-core#5341
and released in version 2.0 https://github.com/aiidateam/aiida-core/blob/main/CHANGELOG.md#v200---2022-04-27
@unkcpz unkcpz marked this pull request as draft October 4, 2023 00:08
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codecov bot commented Oct 4, 2023

Codecov Report

Attention: 13 lines in your changes are missing coverage. Please review.

Comparison is base (a1b5134) 79.39% compared to head (50e313d) 79.84%.
Report is 1 commits behind head on master.

Additional details and impacted files
@@            Coverage Diff             @@
##           master     #522      +/-   ##
==========================================
+ Coverage   79.39%   79.84%   +0.44%     
==========================================
  Files          27       27              
  Lines        3849     3830      -19     
==========================================
+ Hits         3056     3058       +2     
+ Misses        793      772      -21     
Flag Coverage Δ
python-3.10 79.84% <80.00%> (+0.44%) ⬆️
python-3.8 79.87% <80.00%> (+0.44%) ⬆️
python-3.9 79.87% <80.00%> (+0.44%) ⬆️

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

Files Coverage Δ
tests/conftest.py 78.73% <100.00%> (+0.50%) ⬆️
tests/test_structures.py 100.00% <100.00%> (ø)
tests/test_viewers.py 100.00% <100.00%> (ø)
aiidalab_widgets_base/structures.py 77.93% <84.61%> (+3.04%) ⬆️
aiidalab_widgets_base/viewers.py 69.67% <69.44%> (-1.26%) ⬇️

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Hide the Cell tab when the structure is not periodic

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