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Fix Stereo issues on some bond slicing #39

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maclandrol merged 3 commits into main from fix/stereo-rdkit

May 6, 2024

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maclandrol commented May 6, 2024

Changelogs

Fix stereo issues on some bond slicing
Add support for rotatable bond cutting
Add support for ignoring stereochemistry

Checklist:

Add tests to cover the fixed bug(s) or the new introduced feature(s) (if appropriate).
Update the API documentation if a new function is added, or an existing one is deleted. Eventually consider making a new tutorial for new features.
Write concise and explanatory changelogs below.
If possible, assign one of the following labels to the PR: feature, fix or test (or ask a maintainer to do it for you).

discussion related to that PR

maclandrol added 3 commits

May 5, 2024 23:54


          address stereo issues, fix recap and add rotatable

d681126


          Merge branch 'main' of https://github.com/maclandrol/safe into fix/st…

cacb6f7

…ereo-rdkit


          address stereo issues, fix recap and add rotatable

182ffc7

maclandrol self-assigned this

maclandrol added bug enhancement and removed bug labels

maclandrol merged commit e70e5ca into main

3 checks passed

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