Hi Greg,
yes, I agree that manual wrapping would be a ton of work (and hard to
maintain).
My question was not necessarily with a concrete language in mind, but
since you are asking (;-)), I am really excited about the Swift
programming language lately. Open Source, nice syntax, developed by
Apple and endorsed by Google as the next generation platform for machine
learning ("Swift for Tensorflow",
https://tryolabs.com/blog/2020/04/02/swift-googles-bet-on-differentiable-programming/).
Thanks a lot for the link to the MinimalLib, that looks very
interesting, I will definitely have a look.
Kind regards,
Axel
On 27.04.20 09:43, Greg Landrum wrote:
Hi Axel,
Doing complete C wrappers around the C++ library would be a ton of
work - you'd have to simulate the object model on the C side, and
that's "not easy".
Doing a "full" wrapper for another programming language is almost
certainly best handled using SWIG (assuming it has bindings for the
language you are interested in).
An alternate approach would be to look at the MinimalLib: the library
that's used to generate the Javascript wrappers: it's based on the
idea of exposing a small number of useful functions instead of
supporting the full API:
https://github.com/rdkit/rdkit/tree/master/Code/MinimalLib
-greg
On Sun, Apr 26, 2020 at 9:47 PM Riccardo Vianello
<[email protected] <mailto:[email protected]>> wrote:
Hi Axel,
On Sun, Apr 26, 2020 at 6:21 PM Axel Pahl <[email protected]
<mailto:[email protected]>> wrote:
is anyone aware of efforts for creating "bridging" C wrappers
for the RDKit?
This would make it easier to bind the toolkit to other
programming languages, in addition to Python and Java.
I'm not aware of any active/existing projects, but I've been also
thinking about this possibility in a couple of occasions.
Could the existing SWIG interface be perused for this?
as far as I know, this isn't (or at least wasn't) directly
possible. SWIG includes the core functionality required to
generate these wrappers, but C is not a supported target language.
Last time I checked a mostly functional but not ready to merge
GSoC branch existed, that was aimed at providing this feature, but
I am not sure it made any progress.
Best,
Riccardo
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