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base repository: cdk/cdk
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head repository: cdk/cdk
compare: 601d0af3fe2b
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  • 4 commits
  • 5 files changed
  • 1 contributor

Commits on Dec 17, 2012

  1. Changed saturation conditional to also check that a bond is not aroma… 

    …tic.

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Dec 17, 2012
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  2. Added explicit atom typing and aromaticity detection to several faili… 

    …ng fingerprinter tests.

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Dec 17, 2012
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  3. Added unit test and annotation for moment generation (3D Similarity) 

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Dec 17, 2012
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  4. Correct unit test name and added missing unit tests and annotations. 

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Dec 17, 2012
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