Re: [Rdkit-devel] Chem/Draw code: new feature and some refactoring

[<gi...@gm...>]

On Tue, Feb 1, 2011 at 12:51 PM, Uwe Hoffmann <uw...@fa...> wrote:
> just some idea: what about removing sping and agg altogether ?

Well, agg is not really there, you still need to get it, compile the
library and let rdklit find it in order to use that backend. On the
other hand, sping is embedded in the rdkit repository and I agree it
would be better removed from the rdkit tarball.

If the patches will get merged, I'd like to make more changes along these lines:

1. remove the sping code
2. make the backend selectable from the API
3. make cairo the default backend
4. further refactor backends (there is still much duplicated code)
5. last, but not least, apply more PEP8


> The code will be simpler and bug reports also, because it's clear
> which backend is used.
> Questions:
> 1) I don't know if there is a feature/backend which isn't supported
>   by cairo ?

For my purposes it's perfectly fine, but of course I have no idea how
it's used outside the (few) projects I know of.

> 2) Is the cairo quality sufficient (cairo itself , not the actual
>   implementation in rdkit)?

IMHO, they are of good quality

> 3) speed (when used for many images)

did not run any benchmark, but we can exercise some code and gather
numbers. Are you referring just to the draw code or depiction+drawing?

Cheers

G.



-- 
Gianluca Sforna

http://morefedora.blogspot.com
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