On 26 October 2010 10:55, Egon Willighagen <> wrote:
On Tue, Oct 26, 2010 at 9:50 AM, Nina Jeliazkova
> Egon, All,
> I am wondering, should this piece of code be actually in 2D coordinate
> generation, allowing  StructureDiagramGenerator.
> generateCoordinates() to work with disconnected structures?
> This is a bit of artificial example, but good for illustration :)

Ideally, this would be part of the rendering code,

Hm,  why do you think so?   SDG is about creating 2D coordinates of molecules, if one needs to render a salt , it should be regarded as one molecule and be allowed to go through SDG. 

and Gilleain is
working on really cool code here...

I see rendering of salts as something different than rendering of set of molecules , both are useful of course.
But, a class in addition to the current SDG will make a lot of people
happy right now... I would suggest to make it a separate class,

A separate class is fine for me - perhaps a subclass of SDG with additional functionality?


Dr E.L. Willighagen
Postdoctoral Research Associate
University of Cambridge

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