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Fix rthr default value#22

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pprcht merged 2 commits intopprcht:mainfrom
marcelmbn:fix/rthr
Dec 23, 2025
Merged

Fix rthr default value#22
pprcht merged 2 commits intopprcht:mainfrom
marcelmbn:fix/rthr

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@marcelmbn
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Take over default value from cli.py in --rthr to make example in README.md working.

Signed-off-by: Marcel Mueller <marcel.mueller@thch.uni-bonn.de>
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Fixes #21.

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pprcht commented Dec 21, 2025

Could you add the default to sorter_irmsd_ase and sorter_irmsd_rdkit as well please? Both files are in interfaces/ as well

…ssing import

Signed-off-by: Marcel Mueller <marcel.mueller@thch.uni-bonn.de>
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Could you add the default to sorter_irmsd_ase and sorter_irmsd_rdkit as well please? Both files are in interfaces/ as well

Done.

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pprcht commented Dec 23, 2025

Great, thanks

@pprcht pprcht merged commit 7f00267 into pprcht:main Dec 23, 2025
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@marcelmbn marcelmbn deleted the fix/rthr branch December 23, 2025 15:03
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2 participants