[ase-users] Python 2+3 compatible ase-gui

[Jens Jørgen Mortensen]

On 01/13/2017 11:21 AM, Alexander Held wrote:
> Thank you very much for the nice work.
>
> A quick test gave me these issues (with both py2.7 and py3.5):
>
> 1) When selecting many atoms, the chemical formula shown in the bottom sometimes contains garbage like "C12\u2088" instead of "C128"  (the "12" and "128" are subscript)
> 2) The matplotlib energy plot pops up as a window with a title, but the canvas just contains garbage from the video buffer (e.g. content of other windows). I use matplotlib, numpy, python from Anaconda on 64bit linux.
> 3) Selecting "Edit->Modify" without selecting any atoms, I get this traceback (example for py27 case, similar for py35):
>
> Exception in Tkinter callback
> Traceback (most recent call last):
>    File "/j1c/held/opt/Anaconda2-4.1.1-Linux-x86_64/lib/python2.7/lib-tk/Tkinter.py", line 1537, in __call__
>      return self.func(*args)
>    File "/j1c/held/opt/ase-master/ase/gui/ui.py", line 399, in callback2
>      callback(key)
>    File "/j1c/held/opt/ase-master/ase/gui/gui.py", line 269, in modify_atoms
>      ModifyAtoms(self)
>    File "/j1c/held/opt/ase-master/ase/gui/modify.py", line 15, in __init__
>      ui.oops(_('No atoms selected!'))
> AttributeError: 'module' object has no attribute 'oops'
>
> 4) The "Edit->Modify" dialog has no OK or CANCEL buttons. It took me quite some time to figure out that I have to hit "return" to change e.g. the element. Just closing the dialog does not modify anything.
>
> For me, issue 2) is the most serious, since I use ase-gui a lot to make the matplotlib plots. Unfortunately, there is no error message. I can only tell that the plots work fine with the old ase-gui version and the same matplotlib.

Thanks for your feedback.  I've fixed 3 and 4.

About 2: Does you matplotlib have a tkinter backend?  I was hoping that 
matplotlib would always come with a tkinter backend.  If that's not the 
case then I'll go back to doing the plotting in a separate process (as 
before when we always had problems with missing GTK-backend in MPL).

About 1: Looks like your tkinter can't show a unicode subscript-8 ... 
I'll see if I can find a solution.

Jens Jørgen

> Kind regards
> Alexander Held
>
>> -----Ursprüngliche Nachricht-----
>> Von: ase-users-bounces at listserv.fysik.dtu.dk [mailto:ase-users-
>> bounces at listserv.fysik.dtu.dk] Im Auftrag von Jens Jørgen Mortensen via
>> ase-users
>> Gesendet: Mittwoch, 11. Januar 2017 11:36
>> An: ase-users
>> Betreff: [ase-users] Python 2+3 compatible ase-gui
>>
>> Hi!
>>
>> I have finally managed to port ase-gui to Python 3.  I'd like some feedback
>> before we make an ase-3.13 release.
>>
>> It's a slightly trimmed down version of ase-gui with some
>> features/functionality removed.  So, if you feel something important is
>> missing, then please let me know.
>>
>> Install the development version and then give it a try.  Please try with both
>> Python 2 and 3.  You can do that like this:
>>
>>       $ python2 -m ase.gui ...
>>       $ python3 -m ase.gui ...
>>
>> Make sure that you are actually testing the new GUI:  Click Help -> About,
>> and you should see "ASE-GUI (work in progress)".
>>
>> You can clone the code or download a development-snapshot as described
>> here:
>>
>> https://wiki.fysik.dtu.dk/ase/install.html#installation-from-source
>>
>> or get it from PyPI:
>>
>>       $ pip install ase==3.13.0b1 --user
>>       $ pip3 install ase==3.13.0b1 --user
>>
>> Please report any bugs you find.
>>
>> Jens Jørgen
>>
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