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Fix #114: select the OpenFold query dir by content, not by exclusion - #115

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wilke merged 1 commit into
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fix/114-openfold-query-dir
Aug 21, 2026
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Fix #114: select the OpenFold query dir by content, not by exclusion#115
wilke merged 1 commit into
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fix/114-openfold-query-dir

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@wilke wilke commented Aug 21, 2026

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Closes #114.

Production regression from the openfold3 0.4.1→0.4.5 bump in folding_260821.1: 0.4.5 writes msas/ into the output dir whenever it generates MSAs, and normalize_openfold_output picked its query dir as the first entry of an unordered iterdir() that wasn't raw/. Matrix cases O02 (msa server) and O04 (RNA dummy MSA) failed with No seed_* directories in .../msas; the four upload-path cases passed because they produce no msas/ dir.

The selection is now by content — only directories containing seed_* children qualify — and the no-match error lists the directories actually found. This also fixes the latent pre-0.4.5 fragility: with two query dirs, query_dirs[0] of an unordered listing was arbitrary; it now takes the sorted first among qualifying dirs.

Regression test plants a msas/ distractor that sorts before the query dir, making the reproduction deterministic; verified failing against the old code. 612 passed, 10 skipped.

openfold3 0.4.5 writes msas/ into the output dir whenever it generates
MSAs (ColabFold server, RNA dummy MSA). The normalizer took the first
directory that wasn't raw/ from an UNORDERED iterdir(), so O02 and O04
failed on mango with 'No seed_* directories in .../msas' while the four
upload-path cases passed. Only a directory containing seed_* children
now qualifies; the error message lists what was found instead.

The regression test plants a msas/ distractor that sorts before the
query dir, so it reproduces the failure deterministically instead of
depending on filesystem order — verified failing on the old code.

Co-Authored-By: Claude Fable 5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01DEWo4xvL59PHC1QUvtTV9F
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wilke merged commit ef0914b into main Aug 21, 2026
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wilke deleted the fix/114-openfold-query-dir branch August 21, 2026 22:04
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OpenFold normalizer picks the msas/ directory as the query dir (openfold3 0.4.5)

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