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add IO functionalities

a0f4f67
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Refactor #71

add IO functionalities
a0f4f67
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Codecov / codecov/project succeeded Dec 27, 2025 in 1s

91.90% (target 90.00%)

View this Pull Request on Codecov

91.90% (target 90.00%)

Details

Codecov Report

❌ Patch coverage is 94.55128% with 17 lines in your changes missing coverage. Please review.
✅ Project coverage is 91.90%. Comparing base (3b8b3db) to head (a0f4f67).

Files with missing lines Patch % Lines
mols2grid/io.py 96.02% 6 Missing ⚠️
mols2grid/molgrid.py 90.62% 6 Missing ⚠️
mols2grid/__init__.py 83.33% 2 Missing ⚠️
mols2grid/typeshed.py 71.42% 2 Missing ⚠️
mols2grid/select.py 97.36% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##           master      #71      +/-   ##
==========================================
+ Coverage   90.86%   91.90%   +1.04%     
==========================================
  Files           8       11       +3     
  Lines         558      729     +171     
==========================================
+ Hits          507      670     +163     
- Misses         51       59       +8     

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