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feat(fmt/smi): implement smiles writer #282

Merged
merged 3 commits into from
Apr 9, 2024
Merged

feat(fmt/smi): implement smiles writer #282

merged 3 commits into from
Apr 9, 2024

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jnooree
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@jnooree jnooree commented Apr 9, 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?

Linked Issues

Link the tracking issue(s) of this PR, with the auto-close keywords here:


@jnooree jnooree enabled auto-merge April 9, 2024 07:58
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codecov bot commented Apr 9, 2024

Codecov Report

Attention: Patch coverage is 94.00000% with 12 lines in your changes are missing coverage. Please review.

Project coverage is 90.67%. Comparing base (a3abb0d) to head (5743382).

Additional details and impacted files

Impacted file tree graph

@@            Coverage Diff             @@
##             main     #282      +/-   ##
==========================================
+ Coverage   90.59%   90.67%   +0.08%     
==========================================
  Files          37       37              
  Lines        8431     8636     +205     
==========================================
+ Hits         7638     7831     +193     
- Misses        793      805      +12     
Files Coverage Δ
include/nuri/fmt/smiles.h 100.00% <ø> (ø)
src/core/molecule.cpp 94.63% <100.00%> (ø)
src/fmt/smiles.cpp 95.23% <93.96%> (-1.05%) ⬇️

... and 2 files with indirect coverage changes

@jnooree jnooree merged commit dea7728 into main Apr 9, 2024
16 of 17 checks passed
@jnooree jnooree deleted the jnooree/issue-273 branch April 11, 2024 01:22
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Implement smiles writer
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