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base repository: cdk/cdk
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head repository: cdk/cdk
compare: bf25c1431b61
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  • 3 commits
  • 2 files changed
  • 1 contributor

Commits on Sep 24, 2013

  1. An aromatic nitrogen which isn't connected to a pi bond cannot accept… 

    … a hydrogen bond.

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Sep 24, 2013
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  2. This test (which was passing) actually only has a single H bond accep… 

    …tor. However we need to give it the a kekule structure - this test is for HBondAcceptor and not kekulisation so we provided the correct SMILES.

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Sep 24, 2013
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  3. Ensure aromaticity is perceived. 

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Sep 24, 2013
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