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base repository: cdk/cdk
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head repository: cdk/cdk
compare: 7bc38f8aa8db
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  • 3 commits
  • 4 files changed
  • 1 contributor

Commits on Jan 23, 2014

  1. The test for vinylogous ester is not a bug but a limitation of the SM… 

    …ARTS used to match functional group. The test is now ignored as it will always fail. Additionally the fingerprint can not be used to filter substructures and we must override testBug706786 from the abstract superclass.
    @johnmay @egonw
    johnmay authored and egonw committed Jan 23, 2014
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  2. Correct tests for accepting IAtomContainers. 

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Jan 23, 2014
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  3. Annoyingly the AtomDiff reports there is a difference in the atom ID.… 

    ….. when that's not what we are testing. As CML adds ids to atoms differences were being incorrectly reported. Adding an ID before we write the file resolves all but 1 failure.

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Jan 23, 2014
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