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feat(python/core): add has_bond() interface #322

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merged 4 commits into from
May 22, 2024
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@jnooree jnooree commented May 22, 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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codecov bot commented May 22, 2024

Codecov Report

Attention: Patch coverage is 80.95238% with 4 lines in your changes missing coverage. Please review.

Project coverage is 90.61%. Comparing base (fbe0d22) to head (bfe9f40).
Report is 8 commits behind head on main.

Files Patch % Lines
python/src/nuri/core/molecule.cpp 81.81% 2 Missing ⚠️
python/src/nuri/core/substructure.cpp 80.00% 2 Missing ⚠️
Additional details and impacted files

Impacted file tree graph

@@           Coverage Diff           @@
##             main     #322   +/-   ##
=======================================
  Coverage   90.61%   90.61%           
=======================================
  Files          37       37           
  Lines        8762     8784   +22     
=======================================
+ Hits         7940     7960   +20     
- Misses        822      824    +2     
Files Coverage Δ
python/src/nuri/core/molecule.cpp 89.90% <81.81%> (-0.24%) ⬇️
python/src/nuri/core/substructure.cpp 90.14% <80.00%> (-0.22%) ⬇️

... and 2 files with indirect coverage changes

@jnooree jnooree merged commit 60f076b into main May 22, 2024
14 of 15 checks passed
@jnooree jnooree deleted the jnooree/issue-321 branch May 22, 2024 07:58
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Successfully merging this pull request may close these issues.

Add "has bond/neighbor" interface
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