On Tuesday 04 July 2006 18:00, Rajarshi Guha wrote: > On 7/4/06, Egon Willighagen <[EMAIL PROTECTED]> wrote: > > On Tuesday 04 July 2006 17:53, Rajarshi Guha wrote: > > > On 7/4/06, Sulev Sild <[EMAIL PROTECTED]> wrote: > > > > On Jul 04, Egon Willighagen wrote: > > > > > An alternative API could be > > > > > > > > > > public DescriptorValue calculate(IAtomContainer container) > > > > > throws CDKException > > > > > > Why change it to DescriptorValue[] ? > > > > One DescriptorValue for every IAtom. > > So that implies the parameter that specifies which atom to calculate it for > will no longer be required?
Correct. That was not my original idea of a descriptor parameter anyway. Egon -- Egon Willighagen http://chem-bla-ics.blogspot.com/ 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
