cdk/cdk — pull request #18 by KlasJoenssson (2012-04-05 09:19:19+00:00)
Title: A updated version of the SINGLE_OR_DOUBLE-flag

Due to the change to using the AtomContainer instead of IMolecule (to make it fit in the master branch as well) I had to remove the part of the test that do something with the molecule and then test it again. Because in cdk-1.4.x. the methods of DeduceBondSystemTool.java demands that it's a IMolecule that is sent in, while in the master branch the same methods demands an AtomContainer.