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Warnings would occur when we try to cluster points into n_spheres groups with K-means, and one of the groups is empty. In these cases, we retry K-means with a different initialization algorithm. If that still fails, we use all the points as the spheres. This only happens with tiny pockets that are unlikely to be relevant, so this should not tangibly impact results.

@aalexmmaldonado aalexmmaldonado linked an issue May 7, 2025 that may be closed by this pull request
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Codecov Report

Attention: Patch coverage is 65.21739% with 8 lines in your changes missing coverage. Please review.

Project coverage is 77.31%. Comparing base (eede130) to head (1a0fd78).

Files with missing lines Patch % Lines
povme/pocket/detect.py 65.21% 8 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main       #9      +/-   ##
==========================================
- Coverage   77.80%   77.31%   -0.50%     
==========================================
  Files          15       15              
  Lines        1113     1133      +20     
  Branches      157      157              
==========================================
+ Hits          866      876      +10     
- Misses        182      192      +10     
  Partials       65       65              

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@aalexmmaldonado aalexmmaldonado merged commit c40f879 into main May 8, 2025
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Problem with installation

3 participants