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Allow disabling output of dative bonds to SMILES #7384

Merged
merged 10 commits into from
May 25, 2024
Merged

Allow disabling output of dative bonds to SMILES #7384

merged 10 commits into from
May 25, 2024

Commits on Apr 23, 2024

  1. basic code to convert dative to single if we aren't outputting dative… 

    … to the SMILES

add forms of GetAtomSmiles() and GetBondSmiles() that take SmilesWriteParams
    @greglandrum
    greglandrum committed Apr 23, 2024
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  2. dative/coordinate bond support when writing CXSMILES

    @greglandrum
    greglandrum committed Apr 23, 2024
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  3. expose all of that to Python

    @greglandrum
    greglandrum committed Apr 23, 2024
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Commits on Apr 26, 2024

  1. remove usage of _doIsoSmiles property 

    add params to smarts writers
    @greglandrum
    greglandrum committed Apr 26, 2024
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  2. allow disabling dative bonds in SMARTS

    @greglandrum
    greglandrum committed Apr 26, 2024
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Commits on Apr 27, 2024

  1. typo

    @greglandrum
    greglandrum committed Apr 27, 2024
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  2. add support to the reaction writers

    @greglandrum
    greglandrum committed Apr 27, 2024
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  3. support params for SMARTS

    @greglandrum
    greglandrum committed Apr 27, 2024
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Commits on May 24, 2024

  1. Merge remote-tracking branch 'origin/master' into feat/github7372

    @greglandrum
    greglandrum committed May 24, 2024
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  2. Merge remote-tracking branch 'greglandrum/feat/github7372' into feat/… 

    …github7372
    @greglandrum
    greglandrum committed May 24, 2024
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