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Allow user to force stereo inference#388

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lohedges merged 2 commits intodevelfrom
fix_sire_287
Feb 12, 2025
Merged

Allow user to force stereo inference#388
lohedges merged 2 commits intodevelfrom
fix_sire_287

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This PR is a companion to OpenBioSim/sire#290, which exposes the force_stereo_inference kwarg on BioSimSpace.Convert.toRDKit(). This has been tested via Sire itself.

  • I confirm that I have merged the latest version of devel into this branch before issuing this pull request (e.g. by running git pull origin devel): [y]
  • I confirm that I have permission to release this code under the GPL3 license: [y]

@lohedges lohedges added bug Something isn't working recursion Related to work with Recursion labels Feb 11, 2025
@lohedges lohedges requested a review from mb2055 February 11, 2025 15:53
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All good 👍

@lohedges lohedges merged commit b12baa4 into devel Feb 12, 2025
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@lohedges lohedges deleted the fix_sire_287 branch February 12, 2025 14:06
lohedges added a commit that referenced this pull request Feb 12, 2025
lohedges added a commit that referenced this pull request Feb 12, 2025
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2 participants