diegozea / MIToS.jl / 19566975322

97%

Build Type

push

github

Committed by 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.

Run Details

17 of 17 new or added lines in 1 file covered. (100.0%)

3 existing lines in 1 file now uncovered.

4705 of 4844 relevant lines covered (97.13%)

383222.47 hits per line