@stevenhua0320 please could you look at this PR? It seems to be failing pre-commit because of an undefined variable. Also, I saw it import bareAtomLabel or something like that which we may need to deprecate?

@stevenhua0320 please could you look at this PR? It seems to be failing pre-commit because of an undefined variable. Also, I saw it import bareAtomLabel or something like that which we may need to deprecate?

It seems that because of my first deprecation of method assignUniqueLabels is accidentally done on the main branch at the very beginning, and at that time we don't want to cover this method again in v3.4.0 and now github identifies the difference, so it believes we delete the change on assignUniqueLabels method. So a proper fix I believe is to make the change for assignUniqueLabels also on v3.4.0 so that this method is consistent with the change we have done in main. For the bareAtomSymbol, I believe we have deprecated that method in v3.4.0, so the only change we need to make is to change the usage to bare_atom_symbol. I would make a PR shortly to branch v3.4.0

Ok. Sounds good. Are you able to make a PR?

Ok. Sounds good. Are you able to make a PR?

Have made that PR, see #190

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 99.20%. Comparing base (39d41f0) to head (a05255f).
⚠️ Report is 87 commits behind head on main.

@@            Coverage Diff             @@
##             main     #189      +/-   ##
==========================================
+ Coverage   98.93%   99.20%   +0.26%     
==========================================
  Files          13       15       +2     
  Lines        1884     2507     +623     
==========================================
+ Hits         1864     2487     +623     
  Misses         20       20              

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