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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