[vtk-developers] vtkChemistry status and python bindings

[David Gobbi]

Add it to the WRAP_SPECIAL section in Filtering/CMakeLists.txt:

SET_SOURCE_FILES_PROPERTIES(
  ...
  vtkAtom.cxx
  vtkBond.cxx

  PROPERTIES WRAP_SPECIAL 1
)

No other changes should be necessary.


On Tue, Feb 14, 2012 at 4:02 PM, David Lonie <loniedavid at gmail.com> wrote:
> Hi Stefano,
>
> I've cc'd the developer's list on this. My reply is inline below.
>
> On Tue, Feb 14, 2012 at 5:53 PM, Borini, Stefano
> <s.borini at jacobs-university.de> wrote:
>> I did some experiment and finally got a working runtime.
>> I found one thing that I think it's worth communicating to you. I am trying to solve it myself, but it's not of immediate solution (at least at 23.44). I am working with your branch 98267882d5
>
> The vtkChemistry code was just merged into the master branch a little
> while ago, with the exception of the electronic structure rendering
> classes. There were several bugfixes that have gone in as well, so
> it's probably worthwhile to switch back to the main vtk source tree at
> this point.
>
> If you switch, be aware that the vtkMolecule::AddAtom methods are now
> named vtkMolecule::AppendAtom because, well, Microsoft's compilers are
> weird.
>
>> The vtkMolecule in python does not have and AddAtom method. It does have other methods, though.
>> I checked out how the python bindings are created, and apparently the extraction is automated with code in Wrapping/Python. There's a document in there, README_WRAP.txt , stating
>>
>> Unavailable methods
>>
>> A method is not wrapped if
>> 1) its parameter list contains a pointer that isn't a vtkObject
>>   pointer, char pointer, or void pointer -- though the vtkDataArray
>>   "Tuple" methods are an exception, they are wrapped
>> 2) it returns a pointer that is not a vtkObject pointer, char pointer,
>>   or void pointer, unless the method has an entry in the wrapping
>>   hints file -- again, vtkDataArray methods are an exception
>> 3) its parameter list contains a named enum constant
>> 4) it is an operator method (though many exceptions exist)
>>
>>
>> Unavailable classes
>>
>> Some classes are meant to be used only by other VTK classes and are
>> not wrapped.  These are labelled as WRAP_EXCLUDE in the CMakeLists.txt
>> files.
>>
>> It is my opinion that something is going wrong with the AddAtom method, so that it is skipped by the wrapper generator. I also observed that the class vtkAtom is not available at the python level. The vtkAtomPython.cxx is basically empty.
>
> This makes sense, the vtkAtom classes do not inherit vtkObject. Thanks
> for pointing this out!
>
> Marcus -- could we add a special case to the wrapping code, or is
> there another way to correct this?
>
> Dave
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