On 7/4/06, Egon Willighagen <[EMAIL PROTECTED]> wrote:
So that implies the parameter that specifies which atom to calculate it for will no longer be required?
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?
--
Rajarshi Guha
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