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Ensure correct stereo consistency (Fix #812) #813

Merged
merged 2 commits into from
Feb 3, 2022
Merged

Ensure correct stereo consistency (Fix #812) #813

merged 2 commits into from
Feb 3, 2022

Commits on Feb 3, 2022

  1. Better state management for stereochemistry. When an stereo element i… 

    …s added to a molecule it's atom/bond components are remapped to the internal AtomRef/BondRef of the molecule in question. This ensure any future actions such as swapping and atom for another work correctly. This is now more robust and we get an error if we try to add stereochemistry that includes atom/bonds not in this molecule - this makes sense.
    @johnmay
    johnmay committed Feb 3, 2022
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  2. An unexpected consequence is some miss-use of the partition molecules… 

    … function in the structure diagram generator. This

is a bit of a missue but reasonable - we now need check if the stereochemistry has not be split between two molecules.
We should also do the same of Sgroups (issue openned).
    @johnmay
    johnmay committed Feb 3, 2022
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