Re: [Cdk-devel] templates?

[Egon W. <eg...@sc...>]

On Friday 23 August 2002 15:17, Christoph Steinbeck wrote:
> Egon Willighagen wrote:
> > for the IUPAC name generator I am in need of off the shell structures...
> > Templates that is... I am going to make a template dir containing
> > structures of many kinds in the future...
> >
> > Does it make sense to make this package cdk.templates, or should I make
> > it cdk.iupac.templates?
>
> How will these templates be coded? Hard coded in by small
> MoleculeFactory-like code fragements, or will in a chemical file format?
> The first version might be faster.

Yes, I was planning to do that hard coded... like you did for some tests...

> In any case, we might need templates/fragments in more than one place.
> Maybe org.openscience.cdk.templates.iupac?

Does that make sense? There is not much specific IUPAC about that, other
than that it is used for the iupac generator, and probably a future IUPAC 
parser too... I would say, either cdk.templates then... I will be using 
subdires, like ringsystems, aminoacids, etc...

Egon