codecov[bot]
commented
1 month ago Codecov Report
Attention: Patch coverage is 13.95349% with 37 lines in your changes missing coverage. Please review.
Project coverage is 37.41%. Comparing base (
d6796e4) to head (5aaac4c). Report is 2 commits behind head on main.
| Files | Patch % | Lines |
|---|---|---|
| molSimplify/Classes/mol3D.py | 13.95% | 37 Missing :warning: |
Additional details and impacted files
```diff @@ Coverage Diff @@ ## main #257 +/- ## ========================================== - Coverage 37.49% 37.41% -0.08% ========================================== Files 89 89 Lines 29689 29824 +135 ========================================== + Hits 11131 11158 +27 - Misses 18558 18666 +108 ``` | [Flag](https://app.codecov.io/gh/hjkgrp/molSimplify/pull/257/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=hjkgrp) | Coverage Δ | | |---|---|---| | [unittests](https://app.codecov.io/gh/hjkgrp/molSimplify/pull/257/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=hjkgrp) | `37.41% <13.95%> (-0.08%)` | :arrow_down: | 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=hjkgrp#carryforward-flags-in-the-pull-request-comment) to find out more.:umbrella: View full report in Codecov by Sentry.
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Added in an optional flag to the
get_geometry_type_distancemethod in themol3Dclass. This allows for a more straightforward evaluation of the deviation between a structure and an ideal structure.