On Mon, Dec 28, 2009 at 9:20 AM, Egon Willighagen <email@example.com>
>> While compiling the cdk code I found these warnings in abundance forWhat are these classes doing?
>> org/openscience/cdk/qsar/model/R/PLSRegressionModelFit.java:148: warning:
>> [deprecation] org.openscience.cdk.qsar.model.R.V2M in
>> org.openscience.cdk.qsar.model.R has been deprecated
>> [javac] this.rmssd = V2M.VectorToMatrix(rmssd, ncase, npvar);
>> [javac] ^
> For the warnings of this type I think it might be useful to remove the
> model.R package from master. IMO, a statistics interface is not really core
> cheminformatics. Does anybody actually use classes in this pacakge?
They're wrappers around the JRI and R functionality, so that for example building a PLS model is simply a matter of instantiating a CDK class, rather then having to know the details of the pls() method in R.
Given that a new version of JRI and Rserve is used, which quite different from the current version used in the CDK, it'd likely require a good amount of effort to update things.