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Warn about unused PROPKA options #366

Merged
merged 3 commits into from
Jul 4, 2023
Merged

Warn about unused PROPKA options #366

merged 3 commits into from
Jul 4, 2023

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sobolevnrm
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Fixes #365 .

Nathan Baker added 2 commits July 3, 2023 10:59
@sobolevnrm sobolevnrm requested review from orbeckst and speleo3 July 3, 2023 18:35
Replace values instead of removing attributes.
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codecov bot commented Jul 3, 2023

Codecov Report

Patch coverage: 75.00% and no project coverage change.

Comparison is base (1c818c0) 65.39% compared to head (5af88e9) 65.40%.

❗ Current head 5af88e9 differs from pull request most recent head 04bc007. Consider uploading reports for the commit 04bc007 to get more accurate results

Additional details and impacted files
@@           Coverage Diff           @@
##           master     #366   +/-   ##
=======================================
  Coverage   65.39%   65.40%           
=======================================
  Files          30       30           
  Lines        7789     7796    +7     
=======================================
+ Hits         5094     5099    +5     
- Misses       2695     2697    +2     
Impacted Files Coverage Δ
pdb2pqr/main.py 80.44% <71.42%> (-0.24%) ⬇️
pdb2pqr/config.py 100.00% <100.00%> (ø)

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lgtm & good that you added to the docs

@sobolevnrm sobolevnrm merged commit 8db8d94 into master Jul 4, 2023
@sobolevnrm sobolevnrm deleted the nathan/365 branch July 4, 2023 03:09
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Add code warnings and documentation about the --keep-protons option being ignored
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