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@joaomcteixeira joaomcteixeira commented May 28, 2022

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Allows specifying single string when only one molecule is given as input. Hence, both cases are allowed:

molecules = ["mol1.pdb"]

or

molecules = "mol1.pdb"

@joaomcteixeira joaomcteixeira requested a review from amjjbonvin May 28, 2022 18:34
@joaomcteixeira joaomcteixeira self-assigned this May 28, 2022
@joaomcteixeira joaomcteixeira added the enhancement Improving something in the codebase label May 28, 2022
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codecov-commenter commented May 28, 2022

Codecov Report

Merging #439 (c573fe8) into main (088e998) will increase coverage by 0.12%.
The diff coverage is 100.00%.

@@            Coverage Diff             @@
##             main     #439      +/-   ##
==========================================
+ Coverage   71.14%   71.26%   +0.12%     
==========================================
  Files          92       92              
  Lines        5757     5764       +7     
==========================================
+ Hits         4096     4108      +12     
+ Misses       1661     1656       -5     
Impacted Files Coverage Δ
src/haddock/gear/prepare_run.py 46.80% <100.00%> (+1.77%) ⬆️
tests/test_gear_prepare_run.py 98.92% <100.00%> (+0.08%) ⬆️

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@joaomcteixeira joaomcteixeira requested a review from mgiulini May 30, 2022 10:48
@joaomcteixeira joaomcteixeira merged commit b69d2fb into haddocking:main Jun 5, 2022
@joaomcteixeira joaomcteixeira deleted the molecules_single branch June 5, 2022 08:52
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3 participants