On Mon, 2006-04-24 at 13:49 +0100, Noel O'Boyle wrote: > When I read molecules in from an SD file using IteratingMDLReader, > properties are available in the Molecule's getProperty() method. > > However, when I write out the molecule, these properties are not written > to the SD file using MDLWriter. In fact, before each molecule is > written, I need to: > (1) create a HashMap > (2) fill it with each of the molecule's properties except for Title and > Remark > (3) pass the HashMap to the MDLWriter's setSdFields() method. > > Wouldn't it be better if MDLWriter did this automatically? (Or am I > missing something here?)
I see that I am missing that getProperties() returns a HashMap. This does make it simpler, although I am still not sure why the MDLWriter does not pick up on the molecule's properties automatically. > Regards, > Noel > > > > ------------------------------------------------------- > Using Tomcat but need to do more? Need to support web services, security? > Get stuff done quickly with pre-integrated technology to make your job easier > Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo > http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 > _______________________________________________ > Cdk-user mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/cdk-user ------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
