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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

Updates for 1.4.0 release #17

Closed SGenheden closed 5 months ago

codecov-commenter commented 6 months ago

Codecov Report

Attention: Patch coverage is 65.89147% with 176 lines in your changes are missing coverage. Please review.

Project coverage is 68.73%. Comparing base (cc35138) to head (8e1644a).

Files Patch % Lines
rxnutils/routes/image.py 12.05% 123 Missing and 1 partial :warning:
rxnutils/routes/base.py 89.77% 24 Missing and 3 partials :warning:
rxnutils/routes/readers.py 83.33% 12 Missing and 2 partials :warning:
rxnutils/chem/reaction.py 70.00% 2 Missing and 4 partials :warning:
rxnutils/pipeline/base.py 25.00% 3 Missing :warning:
rxnutils/pipeline/runner.py 33.33% 1 Missing and 1 partial :warning:

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Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #17 +/- ## ========================================== - Coverage 68.79% 68.73% -0.06% ========================================== Files 21 24 +3 Lines 2416 2911 +495 Branches 427 539 +112 ========================================== + Hits 1662 2001 +339 - Misses 680 828 +148 - Partials 74 82 +8 ```

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SGenheden commented 6 months ago

@CKannas - fixed your remarks