MolecularAI / reaction_utils

Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
https://molecularai.github.io/reaction_utils/
Apache License 2.0
63 stars 11 forks source link

Release 1.3.0 #15

Closed SGenheden closed 8 months ago

codecov-commenter commented 8 months ago

Codecov Report

Attention: 112 lines in your changes are missing coverage. Please review.

Comparison is base (dfeb012) 65.11% compared to head (3458d18) 68.79%.

Files Patch % Lines
rxnutils/pipeline/actions/reaction_props.py 80.87% 39 Missing and 9 partials :warning:
rxnutils/pipeline/actions/reaction_mod.py 68.65% 20 Missing and 1 partial :warning:
rxnutils/chem/cgr.py 84.00% 9 Missing and 3 partials :warning:
rxnutils/chem/utils.py 85.18% 3 Missing and 5 partials :warning:
rxnutils/pipeline/actions/dataframe_mod.py 68.18% 7 Missing :warning:
rxnutils/data/base_pipeline.py 0.00% 6 Missing :warning:
rxnutils/data/batch_utils.py 89.65% 3 Missing and 3 partials :warning:
rxnutils/data/mapping.py 0.00% 4 Missing :warning:

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Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #15 +/- ## ========================================== + Coverage 65.11% 68.79% +3.67% ========================================== Files 19 21 +2 Lines 1918 2416 +498 Branches 333 427 +94 ========================================== + Hits 1249 1662 +413 - Misses 616 680 +64 - Partials 53 74 +21 ```

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