codecov[bot]
commented
2 months ago Codecov Report
All modified and coverable lines are covered by tests :white_check_mark:
Project coverage is 74.12%. Comparing base (
fb16f4a) to head (ecb1262).
Additional details and impacted files
```diff @@ Coverage Diff @@ ## main #767 +/- ## ========================================== + Coverage 74.09% 74.12% +0.03% ========================================== Files 101 101 Lines 28005 28038 +33 Branches 5860 5863 +3 ========================================== + Hits 20751 20784 +33 Misses 5786 5786 Partials 1468 1468 ``` | [Flag](https://app.codecov.io/gh/ReactionMechanismGenerator/ARC/pull/767/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ReactionMechanismGenerator) | Coverage Δ | | |---|---|---| | [](https://app.codecov.io/gh/ReactionMechanismGenerator/ARC/pull/767/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ReactionMechanismGenerator) | `74.12% <100.00%> (+0.03%)` | :arrow_up: | | [unittests](https://app.codecov.io/gh/ReactionMechanismGenerator/ARC/pull/767/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ReactionMechanismGenerator) | `74.12% <100.00%> (+0.03%)` | :arrow_up: | Flags with carried forward coverage won't be shown. [Click here](https://docs.codecov.io/docs/carryforward-flags?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ReactionMechanismGenerator#carryforward-flags-in-the-pull-request-comment) to find out more.:umbrella: View full report in Codecov by Sentry.
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This PR introduces a new helper function,
set_rdkit_ring_dihedrals, to theconverter.pymodule. This function allows for setting dihedral angles in a ring structure using RDKit, facilitating the manipulation of molecular conformations.