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Don't gen xyz when checking if a species is monoatomic #785

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@alongd alongd commented Apr 11, 2025

To avoid inf. recursions (is_monoatomic → get_xyz → get_cheap_conformer → is_monoatomic), don't generate a cheap xyz when checking if a species is monoatomic

to avoid inf. recursions (is_monoatomic → get_xyz → get_cheap_conformer → is_monoatomic), don't generate a cheap xyz when checking if a species is monoatomic
@github-actions github-actions bot added the Module: trsh Troubleshooting label Apr 11, 2025
@alongd alongd requested a review from kfir4444 April 11, 2025 04:18
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codecov bot commented Apr 11, 2025

Codecov Report

Attention: Patch coverage is 66.66667% with 2 lines in your changes missing coverage. Please review.

Project coverage is 74.49%. Comparing base (155f5af) to head (0cac468).

Files with missing lines Patch % Lines
arc/species/species.py 33.33% 1 Missing and 1 partial ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #785      +/-   ##
==========================================
- Coverage   74.50%   74.49%   -0.01%     
==========================================
  Files         103      103              
  Lines       28114    28117       +3     
  Branches     5827     5828       +1     
==========================================
+ Hits        20946    20947       +1     
- Misses       5678     5679       +1     
- Partials     1490     1491       +1     
Flag Coverage Δ
unittests 74.49% <66.66%> (-0.01%) ⬇️

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