Re: [Cdk-devel] A Java2D based Renderer2D

[richard a. <ric...@ya...>]

--- Egon Willighagen <e.w...@sc...>
wrote:

> 
> Hi all,
> 
> final so fed up with the, though rather feature
> rich, hard to extend 
> Renderer2D, and triggered by Rich' exciting graphics
> of Structure-CDK, a had 
> a second go at a true Java2D based rendering. Last
> time I got stuck with 
> fixing the coordinate system (*), so had a look at
> Structure-CDK, which 
> actually does not seem to correct for this.

Hi Egon. Glad to see you're picking this up. Actually,
Structure-CDK applies a simple fix to flip the y-axis.
 Rather than directly requesting coordinates from an
IAtom, all requests are routed to a getY(IAtom) method
which just takes the negative of whatever y-coord an
IAtom reports.

It couldn't be too hard to just flip the stereo parity
as well, if need be ;-). Then again, wedge/hatch bonds
were next on my todo list and I never actually got to
it.

There are many things I'm not happy with in
Structure-CDK. One of them is that just about all of
the detailed rendering happens in a single class -
DefaultGraphicsRenderer. Modularizing this code would
result in something much more understandable,
extensible, and powerful.

> 
> With some tips from Rich' code I now have a rather
> simplistic rendering 
> working, which:
> 
> - renders bonds, all as single
> - fixes the coordinate system
> - uses affine transformations, and for the rest just
> world coordinates, 
>   and no screen coordinates (very important!)
> - uses the CDK Renderer2DModel
> 
> With this I am a good way on the way of implementing
> [1], but still have many, 
> many things to do:
> 
> - do the rest of [1]
> - integrate with Controller2D
> - port all functionality from Renderer2D
> 
> Rich, I would be interested in porting your
> Structure-CDK graphics for double 
> bonds, which really look nice.

Sure. It's still not finished. I think that
tetrasubstuted cyclic double bonds still get rendered
outside when they should get rendered inside and
vice-versa.
> 
> When I have added atom label rendering, I will post
> a screenshot.
> 
> Egon
> 
>
1.http://wiki.cubic.uni-koeln.de/cdkwiki/doku.php?id=renderer2dredesign
> 
> * that fix puts (0,0) in the lower left corner, to
> be compatible with 
> mainstream editors (otherwise it mangles
> stereochemistry!)
> 
> -- 
> e.w...@sc...
> Cologne University Bioinformatics Center (CUBIC)
> Blog: http://chem-bla-ics.blogspot.com/
> GPG: 1024D/D6336BA6
> 
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____________________________
Richard Apodaca
Blog: http://depth-first.com



 
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