Thank you Greg.
This will be great and I will gladly track the git repo and test it.
I have been using the svg output for the last couple of weeks and have
noticed that apart from the svg flavor differences ( XHTML vs non XHTML )
that the current method produces , it also replaces oxygen atoms in
molecules with hydrogens sometimes but not everytime. In all these cases
, the smiles code for these molecules is accurate but the svg contains
hydrogens for ether and keto groups.
Hari
On Thursday, November 21, 2013, Greg Landrum wrote:
> Dear all,
>
> The topic of generating SVG with the RDKit from Python has come up a few
> times lately here and elsewhere.
>
> At the moment, the methods to get SVG renderings of RDKit molecules from
> within Python involve using cairo and seem to be causing problems. Using
> cairo to generate SVG is pretty heavyweight and seems to be leading to
> tricky cross-platform (or cross-version) problems.
>
> I'd propose another approach: there is already RDKit code in C++ to
> generate SVG for molecules. This is what the knime nodes use. That code is
> not as advanced as the python-based rendering code, but that is definitely
> something that can be changes. Any investment I put into cleaning that up
> will help with the knime nodes and any future direct-from-C++ rendering
> work.
>
> I will, sometime over the next few days, add a function to the Python
> wrappers that calls the C++ SVG generation code. Once that's in place, I'll
> start working on making it (reasonably) API compatible with the current
> Python rendering code and port Gregori's cleaned up bond drawing code as
> well.
>
> Any suggestions/objections?
>
> -greg
>
>
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