On Mon, Mar 14, 2011 at 12:03 PM, Vincent Le Guilloux <vincent.le-guill...@univ-orleans.fr> wrote: > When I use the reader to read a single IMolecule from a file (or a > String: same issue), the properties are missing when I call the > getProperties for this molecule. > Yet, if I ask the reader to read a ChemFile instead of reading a > molecule, the properties are read correctly.
The MDLV2000Reader is not supposed to be used as iterating reader... reading a IMolecule will use this reader as a MDL molfile reader, which doesn't have properties, and it thus therefore not look for them. I think we should have IChemObjectReader's throw an EOF exception when the read() method is called for a second time... Egon -- Dr E.L. Willighagen Postdoctoral Researcher Institutet för miljömedicin Karolinska Institutet Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ Colocation vs. Managed Hosting A question and answer guide to determining the best fit for your organization - today and in the future. http://p.sf.net/sfu/internap-sfd2d _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
