O2 perception #756
O2 perception #756
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Fixes an issue with perceiving O2 as a triplet from xyz
| N -0.96878800 0.63275900 0.00000000 | ||
| N 1.01229100 0.58298500 0.00000000""" | ||
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| xyz10 = """O -0.79494500 -0.93969200 0.00000000 |
Check notice
Code scanning / CodeQL
Unused local variable Note
| N 0.14143500 0.11571500 0.00000000 | ||
| H -1.65602000 -0.48026800 0.00000000""" | ||
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| xyz11 = """O 1.64973000 -0.57433600 0.02610800 |
Check notice
Code scanning / CodeQL
Unused local variable Note
| # H 1.76422500 -0.11051900 0.89038300 | ||
| # H 1.40045900 1.41618100 0.00000000 | ||
| # H -1.88127600 0.47189500 0.00000000""" | ||
| xyz13 = """O -0.37723000 -1.27051900 0.00000000 |
Check notice
Code scanning / CodeQL
Unused local variable Note
Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #756 +/- ##
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+ Coverage 73.66% 73.70% +0.03%
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Files 99 99
Lines 27418 27432 +14
Branches 5771 5773 +2
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+ Hits 20198 20219 +21
+ Misses 5770 5764 -6
+ Partials 1450 1449 -1
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Fixes an issue with perceiving S2 as a triplet from xyz, building upon #756
Fixes an issue with perceiving O2 as a triplet from xyz
test added