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Update addtodb.py #281

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wants to merge 3 commits into from
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Update addtodb.py #281

wants to merge 3 commits into from

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rolan701
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added smiles overwrite flag to allow for non-openbabel interpreted inputs. Deleted some unneeded print statements

rolan701 and others added 3 commits November 13, 2024 17:20
added smiles overwrite flag to allow for non-openbabel interpreted SMILES strings
@rolan701 rolan701 closed this Nov 13, 2024
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codecov bot commented Nov 13, 2024

Codecov Report

Attention: Patch coverage is 20.00000% with 4 lines in your changes missing coverage. Please review.

Project coverage is 37.27%. Comparing base (5e9af63) to head (f78e4ab).
Report is 1 commits behind head on main.

Files with missing lines Patch % Lines
molSimplify/Scripts/addtodb.py 20.00% 4 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #281      +/-   ##
==========================================
- Coverage   37.27%   37.27%   -0.01%     
==========================================
  Files          89       89              
  Lines       29906    29968      +62     
==========================================
+ Hits        11148    11171      +23     
- Misses      18758    18797      +39     
Flag Coverage Δ
unittests 37.27% <20.00%> (-0.01%) ⬇️

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