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fix(fmt/smi): treat non-ring implicit aromatic bond as single bond #288

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merged 2 commits into from
Apr 11, 2024

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@jnooree jnooree commented Apr 11, 2024

Checklist

If the change is related to the source code, tests, or build environments, please also check the following:

  • Does ./scripts/run_clang_tools.sh pass without any warnings?
  • Have you built the project locally without any warnings and errors?
  • Does all tests (if new tests are added, including the new ones) pass?

If you added new feature(s), then also check the following:

  • Did you also add corresponding tests?

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@jnooree jnooree enabled auto-merge April 11, 2024 07:21
@jnooree jnooree merged commit 12f7938 into main Apr 11, 2024
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codecov bot commented Apr 11, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 90.84%. Comparing base (48caa15) to head (ba7ebe1).
Report is 3 commits behind head on main.

Additional details and impacted files

Impacted file tree graph

@@            Coverage Diff             @@
##             main     #288      +/-   ##
==========================================
+ Coverage   90.79%   90.84%   +0.04%     
==========================================
  Files          37       37              
  Lines        8669     8682      +13     
==========================================
+ Hits         7871     7887      +16     
+ Misses        798      795       -3     
Files Coverage Δ
src/fmt/smiles.cpp 95.37% <100.00%> (+0.13%) ⬆️

... and 1 file with indirect coverage changes

@jnooree jnooree deleted the jnooree/issue-286 branch April 11, 2024 07:30
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[BUG] most smiles omit non-ring single bonds between aromatic atoms
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