Closed hadim closed 1 year ago
Merging #156 (90377c4) into main (20cdbd1) will increase coverage by
0.23%
. The diff coverage is100.00%
.
@@ Coverage Diff @@
## main #156 +/- ##
==========================================
+ Coverage 90.57% 90.80% +0.23%
==========================================
Files 46 46
Lines 3300 3362 +62
==========================================
+ Hits 2989 3053 +64
+ Misses 311 309 -2
Flag | Coverage Δ | |
---|---|---|
unittests | 90.80% <100.00%> (+0.23%) |
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Impacted Files | Coverage Δ | |
---|---|---|
datamol/mol.py | 97.16% <100.00%> (+0.44%) |
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datamol/scaffold/_fuzzy.py | 88.35% <0.00%> (+0.68%) |
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datamol/descriptors/descriptors.py | 92.20% <0.00%> (+1.29%) |
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Checklist:
news
entry.news/TEMPLATE.rst
tonews/my-feature-or-branch.rst
) and edit it.See the changelogs for details. The goal is to make it easier to manipulate atom properties and positions in order to be able to more easily reconstruct a molecule from an array of positions and a mapped SMILES with atom numbers.