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Fix serialization error for v1v2 AtomicResult - #415

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loriab merged 3 commits into
MolSSI:masterfrom
bennybp:rr_array
Sep 16, 2026
Merged

loriab merged 3 commits into
MolSSI:masterfrom
bennybp:rr_array

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@bennybp

@bennybp bennybp commented Sep 11, 2026

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Description

When using v1v2 models with the "properties" driver, there is a serialization error due to the pydantic type of return_result not handling dictionaries containing numpy arrays. This adds the type annotation so that it gets serialized properly.

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Status

  • Code base linted
  • Ready to go

@codecov

codecov Bot commented Sep 11, 2026 •

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 83.03%. Comparing base (1391f04) to head (54aedb0).
⚠️ Report is 43 commits behind head on master.

❗ There is a different number of reports uploaded between BASE (1391f04) and HEAD (54aedb0). Click for more details.

HEAD has 9 uploads less than BASE
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@j-wags j-wags left a comment •

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I won't approve since I'm not a maintainer, but just chiming in to say that locally installing this change fixes the last remaining CI failure I'm seeing for the openff-qcsubmit update to qcportal 0.70 openforcefield/openff-qcsubmit#398

@loriab
loriab merged commit 7828af8 into MolSSI:master Sep 16, 2026
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@j-wags

j-wags commented Sep 16, 2026

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Thanks, @loriab!

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3 participants