codecov[bot]
commented
10 months ago Codecov Report
Attention: Patch coverage is 87.93103% with 35 lines in your changes are missing coverage. Please review.
Project coverage is 73.97%. Comparing base (
3631196) to head (cbec920).:exclamation: Current head cbec920 differs from pull request most recent head 69759f8
Please upload reports for the commit 69759f8 to get more accurate results.
| Files | Patch % | Lines |
|---|---|---|
| arc/job/adapters/ts/linear.py | 75.63% | 18 Missing and 11 partials :warning: |
| arc/mapping/engine.py | 86.66% | 3 Missing and 3 partials :warning: |
Additional details and impacted files
```diff @@ Coverage Diff @@ ## main #695 +/- ## ========================================== + Coverage 73.80% 73.97% +0.17% ========================================== Files 99 101 +2 Lines 27352 27596 +244 Branches 5718 5746 +28 ========================================== + Hits 20187 20415 +228 - Misses 5738 5745 +7 - Partials 1427 1436 +9 ``` | [Flag](https://app.codecov.io/gh/ReactionMechanismGenerator/ARC/pull/695/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ReactionMechanismGenerator) | Coverage Δ | | |---|---|---| | [unittests](https://app.codecov.io/gh/ReactionMechanismGenerator/ARC/pull/695/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ReactionMechanismGenerator) | `73.97% <87.93%> (+0.17%)` | :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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Added a method for generating TS structures from atom mapped reactants and products. The method works for unimolecular reactions, and at present is only implemented for isomerization reactions.