[vtk-developers] vtkChemistry review

Marcus D. Hanwell marcus.hanwell at kitware.com
Fri Jan 20 13:43:19 EST 2012

On Fri, Jan 20, 2012 at 11:27 AM, David Lonie <loniedavid at gmail.com> wrote:
> Hi Marcus,
> On Fri, Jan 20, 2012 at 11:11 AM, Marcus D. Hanwell
> <marcus.hanwell at kitware.com> wrote:
>> On Fri, Jan 20, 2012 at 10:51 AM, David Lonie <loniedavid at gmail.com> wrote:
>>> I'd like to put up a reminder about the vtkChemistry kit I submitted
>>> to Gerrit last August as part of my GSoC project. It is still pending
>>> review. Is there a developer group I should request review from on
>>> Gerrit? I've received a couple inquiries from interested users, and
>>> I'm not sure what to tell them in regards to a timeframe when the code
>>> will be ready.
>> This is largely on me, and the largest delay has been in the vtkVector
>> related work. I think that has been satisfactorily resolved, although
>> that does mean that we need to refactor your topic to depend on the
>> new vtkVector functionality instead of adding the API in the topic
>> itself.
>>> For reference, the patches are here:
>>> http://review.source.kitware.com/#/q/project:VTK+topic:vtkChemistry,n,z
>>> I've made an effort to keep each patch small and easily digestible for
>>> review -- if there's anything else I can do to make the reviews
>>> easier, please let me know.
>> You could drop the vtkVector related changes, and create an updated
>> topic depending on current VTK master. This is the next thing I need
>> to do once I find the time.
> I understand that this has been waiting on the modularation and
> vtkVector changes -- no sense in merging the code in just to rewrite
> it ;-) I also know that much of your time is spent on
> OpenChemistry-related projects these days, but if some members of the
> sci-vis team could do a quick skim through the code and make sure that
> there are no major issues or mistakes, that would help me. Since I'm
> most familiar with the new code, I'll take care of rebasing/updating
> the patches in the next week or so. I'll plan to start this on Monday,
> and will post here again when I'm finished updating the topic.

VTK is very much a part of the work I do there too. Once you create
the new topic I will go through this again and review the API. I have
done this once already, but was focused on getting vtkVector into a
suitable state so that we could merge this work. Now I am back in the
country I have some time I can spend on ensuring that this is ready to
>>> On a related note, I've been asked specifically about vtkChemistry
>>> bindings for scripting languages. I assume these are generated
>>> automatically? Or should I add/modify a SWIG configuration file
>>> somewhere?
>> VTK generates bindings automatically, we do not use SWIG - we have our
>> own wrapper generators. There are some manual code changes you would
>> need to make in order to enable binding for a new module - I have not
>> yet verified whether these were in your patch. Much of this has
>> changed in VTK modular, and so it may not be worth spending much time
>> on this as we complete the modularization work.
> Ok -- I don't recall making any specific build system changes that
> involved bindings, unless it is taken care of in the generic Kit
> setup.
Some of it is, but there are still several manual steps that must be
taken. This has become much simpler in the modular build system.

>> I was hoping to have this merged sooner, I think it is in a state
>> where it can be merged soon. I have certainly talked to people about
>> this work too, and would like to get it in soon so that a larger
>> portion of the community can benefit from it.
> Sounds good! :-)
I will look out for the updated topic, I was hoping to squeeze this
into 2011 but would like to make sure it goes in soon as there are
several places we could be using and testing this work out already.


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