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No coords atropisomers - fix smiles output of atrop wedges after reordering #7418

Merged
merged 17 commits into from
May 7, 2024
Merged

No coords atropisomers - fix smiles output of atrop wedges after reordering #7418

merged 17 commits into from
May 7, 2024

Commits on Mar 25, 2024

  1. removed string_view in favor of string for catch test

    @tadhurst-cdd
    tadhurst-cdd committed Mar 25, 2024
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Commits on Mar 26, 2024

  1. add parsing and generation of atropisomers when coords not present

    @tadhurst-cdd
    tadhurst-cdd committed Mar 26, 2024
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  2. Merge branch 'noCoordsAtropisomers' of github.com:cdd/rdkit into noCo… 

    …ordsAtropisomers
    @tadhurst-cdd
    tadhurst-cdd committed Mar 26, 2024
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  3. changed string_view to string in catch test

    @tadhurst-cdd
    tadhurst-cdd committed Mar 26, 2024
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  4. Merge branch 'master' into noCoordsAtropisomers

    @tadhurst-cdd
    tadhurst-cdd committed Mar 26, 2024
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Commits on Apr 6, 2024

  1. more docs

    @greglandrum
    greglandrum committed Apr 6, 2024
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Commits on Apr 11, 2024

  1. reformulation of the docs

    @greglandrum
    greglandrum committed Apr 11, 2024
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  2. make an error message a little bit more useful

    @greglandrum
    greglandrum committed Apr 11, 2024
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  3. small optimization 

    clang-format
    @greglandrum
    greglandrum committed Apr 11, 2024
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  4. add BondWedgingParameters to new function

    @greglandrum
    greglandrum committed Apr 11, 2024
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Commits on Apr 12, 2024

  1. Merge pull request #14 from greglandrum/noCoordsAtropisomers 

    document representation
    @tadhurst-cdd
    tadhurst-cdd committed Apr 12, 2024
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Commits on Apr 30, 2024

  1. Merge branch 'master' into noCoordsAtropisomers

    @tadhurst-cdd
    tadhurst-cdd committed Apr 30, 2024
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Commits on May 2, 2024

  1. changes for CIP test errors

    @tadhurst-cdd
    tadhurst-cdd committed May 2, 2024
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Commits on May 3, 2024

  1. Updated internal doc to match what it does

    @tadhurst-cdd
    tadhurst-cdd committed May 3, 2024
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Commits on May 6, 2024

  1. changes per PR review

    @tadhurst-cdd
    tadhurst-cdd committed May 6, 2024
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  2. Merge branch 'master' into noCoordsAtropisomers

    @tadhurst-cdd
    tadhurst-cdd committed May 6, 2024
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Commits on May 7, 2024

  1. removed cout statements in tests

    @tadhurst-cdd
    tadhurst-cdd committed May 7, 2024
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