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Preserve fixedCoords through layout cleanup passes - #5
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Co-authored-by: chemplexity <5705840+chemplexity@users.noreply.github.com>
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[WIP] Fix failing GitHub Actions job Lint, Unit Test, and Build
Preserve Oct 21, 2026
fixedCoords through layout cleanup passes
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October 21, 2026 23:51
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The "Lint, Unit Test, And Build" job failed in
peptide-paired-routing.test.js(bond length 0.75 and 3). WithfixedCoordssupplied,generateCoordsreturned different coordinates for the fixed atoms. The tests expect them back unchanged.Three cleanup paths ignored fixed atoms.
cleanup/symmetry-tidy.js)cleanup/stage-runner.js)layoutGraph.fixedCoordsis no longer accepted as the best stage. This covers stages that don't check frozen atoms themselves, such as the terminal-leaf and collateral-root retouches.preserveFixed !== false.pipeline.js)runLargeMoleculeResidualRetouchalready acceptsfrozenAtomIds, but none of its four call sites passed it.placement.frozenAtomIds.Review notes:
layoutGraph.fixedCoordsonly. Atoms frozen because their component was preserved fromexistingCoordsare not covered.