Re: [Avogadro-devel] Avogadro transformation functions in python

[Benoît J. <ja...@ma...>]

Hi,

Thanks for the update:

I have no clue how bindings are made and I was concerned that eigen2's 
expression templates might have made it mode difficult to make bindings. Did 
they cause any problem?

Cheers,
Benoit

On Thursday 18 September 2008 03:07:19 Tim Vandermeersch wrote:
> Hi,
>
> With the new python SIP bindings it is now possible to manipulate the
> camera. The biggest change is the addition of support for
> Eigen::Vector3d and Eigen::Tranfrom3d. Both are converted
> automatically converted to python arrays (from Numeric module), see
> the example below...
>
> To build the bindings:
>
> $ cd sip
> $ python configure.py
> $ cd build
> $ make
> $ sudo make install
>
> Some examples:
> >>> import AvoSIP
> >>> glwidget = AvoSIP.Avogadro.GLWidget.current()
> >>> camera = glwidget.camera()
> >>> m = camera.modelview()
> >>> print m
>
> array([[1.0, 0.0, 0.0, 0.0], [0.0, 1.0, 0.0, 0.0], [0.0, 0.0, 1.0,
> 0.0], [0.0, 0.0, -10.0, 1.0]], 'd')
>
> >>> m[3][2] = -5.0
> >>> camera.setModelview(m)
> >>> glwidget.update()
> >>>
> >>> from Numeric import *
> >>> axis = array([0.0, 1.0, 0.0])
> >>> camera.rotate(1.0, axis)
> >>> glwidget.update()
>
> Marcus is also working on python bindings using boost::python. Both
> can co-exist untill we have decided which one to use...
>
> Tim
>
> On Sat, Aug 30, 2008 at 8:51 PM, Tim Vandermeersch
>
> <tim...@gm...> wrote:
> > Hi,
> >
> > It has been a while since I last build the SIP bindings. However,
> > IIRC, there is only a wrapper for Vector3d. Adding the needed matrices
> > shouldn't be too hard I think. I also don't think the camera class has
> > bindings yet, but once again, when you have Eigen wrapped this is
> > straight forward.
> >
> > The "hard" part is making SIP, OB's SWIG bindings and boost::python
> > work together. For now, you can call GLWidget::current(), which is a
> > static function, to get the current GLWidget.
> >
> > Hope this helps, if I have some time left I'll have a look at the SIP
> > bindings again.
> >
> > Cheers,
> > Tim
> >
> > On Fri, Aug 29, 2008 at 4:01 AM, Benoît Jacob <ja...@ma...> 
wrote:
> >> Michal,
> >>
> >> probably what you're looking for is the Camera class. Look for a
> >> camera() method in GLWidget. The camera class offers methods such as
> >> rotate() etc. I don't know if the current python bindings have it.
> >>
> >> Cheers,
> >> Benoit
> >>
> >> On Friday 29 August 2008 00:09:03 Michal Wronski wrote:
> >>> Hi
> >>>
> >>> What I really mean, is change the way it looks on screen (ie transform
> >>> the entire molecular space). Hope it helps!
> >>>
> >>> On Thu, Aug 28, 2008 at 11:32 PM, Geoffrey Hutchison <
> >>>
> >>> ge...@ge...> wrote:
> >>> > What is the best way to access functions to rotate/translate/zoom a
> >>> >
> >>> >> molecule, in Python. I am creating an interface with a nonstandard
> >>> >> input device, and need direct access to these functions. Help would
> >>> >> be very much appreciated!
> >>> >
> >>> > I haven't been following the Python bindings in a while, but I don't
> >>> > believe these functions are wrapped yet. (Tim, is there access to
> >>> > this kind of functionality in the SIP bindings you made?)
> >>> >
> >>> > One key question is when you say "rotate/translate/zoom a molecule,"
> >>> > do you mean "change the molecule's coordinates" or "change the way
> >>> > the molecule looks on screen?"
> >>> >
> >>> > Cheers,
> >>> > -Geoff
> >>
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