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Add checking for incompatible charge #200

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merged 3 commits into from
Nov 15, 2022

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codecov bot commented Nov 15, 2022

Codecov Report

Merging #200 (80d9674) into v1.3.3 (6a47099) will increase coverage by 0.01%.
The diff coverage is 100.00%.

@@            Coverage Diff             @@
##           v1.3.3     #200      +/-   ##
==========================================
+ Coverage   96.97%   96.98%   +0.01%     
==========================================
  Files         195      195              
  Lines       19845    19858      +13     
==========================================
+ Hits        19245    19260      +15     
+ Misses        600      598       -2     
Flag Coverage Δ
unittests 96.98% <100.00%> (+0.01%) ⬆️

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

Impacted Files Coverage Δ
setup.py 0.00% <ø> (ø)
autode/__init__.py 100.00% <100.00%> (ø)
autode/species/molecule.py 98.98% <100.00%> (+0.05%) ⬆️
tests/test_molecule.py 96.17% <100.00%> (+0.20%) ⬆️
autode/smiles/smiles.py 95.34% <0.00%> (+2.32%) ⬆️

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@t-young31 t-young31 merged commit 6f66a10 into duartegroup:v1.3.3 Nov 15, 2022
@t-young31 t-young31 deleted the add_check_for_charge branch November 15, 2022 20:09
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