[vtkusers] vtkMolecule and vtkAtom

Marcus D. Hanwell marcus.hanwell at kitware.com
Thu Sep 3 11:36:23 EDT 2015

On Thu, Sep 3, 2015 at 11:22 AM, Favre  Jean <jfavre at cscs.ch> wrote:
> I have a C++ code building a molecule, Appending atoms, etc. No problem
> there.
> Using Python, I cannot do the same. Why aren't the AppendAtom() methods not
> available to a vtkMolecule object? How should one build a molecule with
> vtkpython?

I don't think they are wrapped due to limitations in the Python
wrapping, and the pattern we wanted to use for scalable storage of
molecular data. I think we could get them wrapped, or add some simpler
API for the Python/wrapped languages.

I don't think this is something we tested, or looked at very deeply.
Much of the code was developed in quite a short period as part of a
Google Summer of Code project, it would be nice to extend it to better
support Python.


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