codecov[bot]
commented
3 months ago Codecov Report
Attention: Patch coverage is 96.96970% with 1 line in your changes missing coverage. Please review.
Project coverage is 73.98%. Comparing base (
8ba45be) to head (693b2f3). Report is 4 commits behind head on main.
| Files with missing lines | Patch % | Lines |
|---|---|---|
| arc/species/conformers.py | 92.85% | 0 Missing and 1 partial :warning: |
Additional details and impacted files
```diff @@ Coverage Diff @@ ## main #765 +/- ## ========================================== + Coverage 73.95% 73.98% +0.02% ========================================== Files 101 101 Lines 27777 27804 +27 Branches 5817 5825 +8 ========================================== + Hits 20542 20570 +28 + Misses 5774 5773 -1 Partials 1461 1461 ``` | [Flag](https://app.codecov.io/gh/ReactionMechanismGenerator/ARC/pull/765/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/765/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ReactionMechanismGenerator) | `73.98% <96.96%> (+0.02%)` | :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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The previous conformer comparison algorithm required a distance matrix (d-matrix) for operations. In this update, we introduce a new variable,
fl_distance, which represents the distance between the first and last elements. This method provides a less costly preliminary comparison before invoking the d-matrix comparison. Now, the d-matrix comparison will only be executed when necessary, optimizing the overall efficiency of the algorithm.