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Fix setting simple molecule conformers #1868

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merged 4 commits into from
Apr 30, 2024
Merged

Fix setting simple molecule conformers #1868

merged 4 commits into from
Apr 30, 2024

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mattwthompson
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@mattwthompson mattwthompson commented Apr 26, 2024 •
edited

Fixes #1867

Context openforcefield/openff-interchange#977 (comment)

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codecov bot commented Apr 26, 2024 •
edited

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 93.69%. Comparing base (53db31f) to head (728b276).
Report is 1 commits behind head on main.

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@mattwthompson mattwthompson marked this pull request as ready for review April 26, 2024 14:20
j-wags
j-wags approved these changes Apr 30, 2024
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Thanks. Approved pending CI passing!

@mattwthompson mattwthompson merged commit 7d0c470 into main Apr 30, 2024
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@mattwthompson mattwthompson deleted the fix-setting-simple-molecule-conformers branch April 30, 2024 18:06
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@j-wags j-wags j-wags approved these changes

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Successfully merging this pull request may close these issues.

Topology.set_positions chokes when setting positions on _SimpleMolecules which lacked conformers
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