[vtkusers] vtkMolecule and vtkAtom

David Gobbi david.gobbi at gmail.com
Thu Sep 3 12:39:01 EDT 2015

On Thu, Sep 3, 2015 at 9:36 AM, Marcus D. Hanwell <
marcus.hanwell at kitware.com> wrote:

> 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.

Marcus, don't be so pessimistic about the Python wrappers.  Jean, just tell
cmake to wrap vtkAtom, and the AppendAtom method should work just fine.
Change the following lines in Common/DataModel/CMakeLists.txt:


The problem is that WRAP_EXCLUDE includes all of the classes that Java
and Tcl cannot wrap, and as a result, many classes are excluded from the
Python wrapping even though Python is perfectly capable of using them.
I should do a sweep through the cmake files to make the wrapping more

 - David
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