while it is highly appreciated when people contribute to CDK by doing=20
"debugging", I would like to point out once more that this needs to be=20
followed by careful testing if the "fix" broke something elsewhere.
Recent fixes have broken the structure diagram layout, which is one of=20
the showcase features of CDK and thus should be handled with utmost=20
care! A lot of people use CDK for SMILES parsing and visualization.
Currently, 50% of our test cases fail!
The StructureDiagramGenerator can be tested by running
ant run -Drunclass=3Dtest.layout.StructureDiagramGeneratorTest
These are visual tests which use to give nice layouts and now don't.
Problem seems to be in the class AtomPlacer, which I'm going to revert=20
to the status of January, where the code was still ok.
Sorry to those who did the fixes, but they broke other things. :-)
Priv. Doz. Dr. Christoph Steinbeck (c.steinbeck@...)
Head of the Research Group for Molecular Informatics
Cologne University BioInformatics Center (http://www.cubic.uni-koeln.de)
Z=FClpicher Str. 47, 50674 Cologne
Tel: +49(0)221-470-7426 Fax: +49 (0) 221-470-7786
What is man but that lofty spirit - that sense of enterprise.
... Kirk, "I, Mudd," stardate 4513.3..