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Prefer wedging ring bonds around atropisomers #7373

Merged
merged 10 commits into from
May 8, 2024
Merged

Prefer wedging ring bonds around atropisomers #7373

merged 10 commits into from
May 8, 2024

Commits on Apr 19, 2024

  1. prefer wedging ring bonds for atropisomers

    @greglandrum
    greglandrum committed Apr 19, 2024
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  2. update expected results

    @greglandrum
    greglandrum committed Apr 19, 2024
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  3. handle 3D as well

    @greglandrum
    greglandrum committed Apr 19, 2024
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Commits on Apr 26, 2024

  1. Merge remote-tracking branch 'origin/master' into fix/github7371

    @greglandrum
    greglandrum committed Apr 26, 2024
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  2. prefer wedging to larger rings 

    wedging bonds in 5 rings make later attempts at improving kekulization very difficult

update expected results
    @greglandrum
    greglandrum committed Apr 26, 2024
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Commits on Apr 28, 2024

  1. extend those changes to 3D

    @greglandrum
    greglandrum committed Apr 28, 2024
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Commits on May 1, 2024

  1. update tests for those changes

    @greglandrum
    greglandrum committed May 1, 2024
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Commits on May 3, 2024

  1. avoid wedging atropisomers if possible 

    response to review
    @greglandrum
    greglandrum committed May 3, 2024
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  2. Merge remote-tracking branch 'origin/master' into fix/github7371

    @greglandrum
    greglandrum committed May 3, 2024
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Commits on May 7, 2024

  1. Merge branch 'master' into fix/github7371

    @greglandrum
    greglandrum committed May 7, 2024
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