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base repository: cdk/cdk
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head repository: cdk/cdk
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  • 5 commits
  • 10 files changed
  • 1 contributor

Commits on Aug 9, 2016

  1. Gearing up for finer control of SMILES output we want to pass in a bi… 

    …tset (composed of SmiOpt flags) into the constructor.
    @johnmay
    johnmay committed Aug 9, 2016
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  2. Push SmiOpt down to the conversion to beam, this makes things a lot s… 

    …impler and configurable.
    @johnmay
    johnmay committed Aug 9, 2016
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  3. Renamed zCoords field - we will reuse in the writing but not just to … 

    …indicate z coordinates.
    @johnmay
    johnmay committed Aug 9, 2016
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  4. fixup

    @johnmay
    johnmay committed Aug 9, 2016
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Commits on Aug 10, 2016

  1. CXSMILES generation for molecules.

    @johnmay
    johnmay committed Aug 10, 2016
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