Closed JintaoWu98 closed 4 months ago
Attention: Patch coverage is 95.83333%
with 1 line
in your changes missing coverage. Please review.
Project coverage is 73.72%. Comparing base (
0d16383
) to head (e87e6c8
).
Files | Patch % | Lines |
---|---|---|
arc/species/conformers.py | 95.83% | 0 Missing and 1 partial :warning: |
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generate_conformers
anddeduce_new_conformers
to outputhypothetical_num_comb
.determine_torsion_symmetry
to handle carbon rotors with three identical attachments, improving symmetry accuracy.