ClapeyronThermo / GCIdentifier.jl

tools to perform group contribution (GC) identification, given the SMILES of a compound
MIT License
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Add `find_missing_groups` function #5

Closed pw0908 closed 8 months ago

pw0908 commented 8 months ago

Things left to do in this branch:

codecov-commenter commented 8 months ago

Codecov Report

Attention: Patch coverage is 95.53073% with 8 lines in your changes are missing coverage. Please review.

Project coverage is 83.20%. Comparing base (91ed072) to head (6742ff7).

Files Patch % Lines
src/missing_groups.jl 95.77% 6 Missing :warning:
src/group_search.jl 94.59% 2 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #5 +/- ## =========================================== + Coverage 60.00% 83.20% +23.20% =========================================== Files 5 6 +1 Lines 245 399 +154 =========================================== + Hits 147 332 +185 + Misses 98 67 -31 ```

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