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Ran 21 Nov 2025 10:28AM UTC

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Committed 21 Nov 2025 10:05AM UTC coverage: 96.948% (-0.06%) from 97.007%

Job # 19566975322.3

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push

github

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web-flow

Commit Message

Use ifelse for CB selection and drop BenchmarkTools dependency (#177)

# Summary
Optimize heavy/CA/CB residue distance and contact paths by reusing prefiltered atom indices and GLY-aware CB selection via `ifelse`, reducing branches and redundant checks. Add 1CBN_20_30 heavy/CB distance and contact cases to the PDB benchmark suite.

# Performance
_BenchmarkTools_' `judge` on 1CBN A:20–A:30 shows heavy `squared_distance` ~45% faster and heavy `contact` ~10% faster, with unchanged allocations.

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4701 of 4849 relevant lines covered (96.95%)

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diegozea / MIToS.jl / 19566975322 / 3
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master: 97%

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