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base repository: cdk/cdk
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  • 5 commits
  • 4 files changed
  • 2 contributors

Commits on Aug 11, 2014

  1. Added to CMLCoreModule capability to read atomParity elements. Corrected

    spelling error. Formatting changes.
    
    Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    AndyHowlettGitHub authored and johnmay committed Aug 11, 2014
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  2. R groups no longer get the symbol "H". Hydrogens now get their hydrogen

    counts set (needed for SMILES output). Tidied code. Formatting changes.
    
    Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    AndyHowlettGitHub authored and johnmay committed Aug 11, 2014
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  3. Added unit test for reading of atomParity elements.

    Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    AndyHowlettGitHub authored and johnmay committed Aug 11, 2014
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  4. Removed code that added hydrogen counts to hydrogens, as these are

    supposed to be present in CML, and should not be inferred.
    
    Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    AndyHowlettGitHub authored and johnmay committed Aug 11, 2014
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  5. Copy the full SHA
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