Egon,

On 26 October 2010 10:55, Egon Willighagen <egon.willighagen@gmail.com> 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 :)
>
> http://apps.ideaconsult.net:8080/ambit2/depict?search=C.CC.CCC.CCCC.CCCCC.CCCCCC.CCCCCCC.CCCCCC.CCCCC.CCCC.CCC.CC.C

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...

 

http://gilleain.blogspot.com/2010/09/molecule-layouts.html


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,
though...


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

Nina
 
Egon

--
Dr E.L. Willighagen
Postdoctoral Research Associate
University of Cambridge
Homepage: http://egonw.github.com/
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