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base repository: cdk/cdk
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  • 6 commits
  • 8 files changed
  • 1 contributor

Commits on Sep 18, 2013

  1. Separate the implicit/explicit versions of butan-2-ol between files.

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    johnmay authored and egonw committed Sep 18, 2013
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  2. Test for encoding tetrahedral stereo elements - we try configuring di…

    …fferent elements and compare the to the hash codes generated for 2D representations (i.e. MDL).
    
    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    johnmay authored and egonw committed Sep 18, 2013
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  3. Utility method for defining parities with a set value.

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    johnmay authored and egonw committed Sep 18, 2013
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  4. A tetrahedral element encoder factory for encoding the existing CDK s…

    …tereo element - ITetrahedralChirality.
    
    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    johnmay authored and egonw committed Sep 18, 2013
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  5. Use the encoder when chiral() hash codes are wanted.

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    johnmay authored and egonw committed Sep 18, 2013
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  6. Missing license headers.

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    johnmay authored and egonw committed Sep 18, 2013
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