[ase-users] Plot to matplotlib subplot

[Ask Hjorth Larsen]

Sounds good!  If you implement it, you could even open a merge request :)

Best regards
Ask

2016-06-03 12:45 GMT+02:00 Magnus Nord via ase-users
<ase-users at listserv.fysik.dtu.dk>:
> I can make a simple implementation of this, which would be very similar to
> the write eps/png function. Which would take an Atoms object, and return a
> subplot with the plot.
>
> I'll open an "Issue" about it on GitLab.
>
> Magnus
>
>
> On 03/06/16 11:28, Ask Hjorth Larsen wrote:
>
> Hi
>
> There are a couple of places in ASE where plots are generated "willy-nilly",
> where it would be a clear advantage to take axes as argument. It is
> definitely a good idea to make that change.
>
> Best regards
> Ask
>
> El 03/06/2016 11:13, "Simon Rittmeyer via ase-users"
> <ase-users at listserv.fysik.dtu.dk> escribió:
>>
>> Hi Magnus,
>>
>> I would be very interested. Thought about something like this as well for
>> quite some time. I also have some test code somewhere, but my attempts never
>> made it into anything really usable. Would be great if you could or anyone
>> else could work on it. At least for quick visualization purposes this would
>> be a very neat feature.
>>
>> Best wishes
>> Simon
>>
>>
>> > Am 03.06.2016 um 10:27 schrieb Magnus Nord via ase-users
>> > <ase-users at listserv.fysik.dtu.dk>:
>> >
>> > Hey,
>> >
>> > I'm trying to make plots of several atomic structures within the same
>> > matplotlib figure, where they each can have a different orientation or
>> > structure.
>> >
>> > After digging around in the ase.io.eps and png modules I managed to make
>> > a function which does this:
>> >
>> > from ase.io.png import PNG
>> >
>> > def get_rgba_image_array(ase_atoms_object, **parameters):
>> >    png_plot = PNG(ase_atoms_object, **parameters)
>> >    png_plot.write_header()
>> >    png_plot.write_body()
>> >    rgba_buffer = png_plot.renderer.buffer_rgba()
>> >    image_data = np.frombuffer(rgba_buffer, np.uint8)
>> >    image_data = image_data.reshape(int(png_plot.h),int(png_plot.w),4)
>> >    return(image_data)
>> >
>> > image_data = get_rgba_image_array(slab, radii=radii)
>> > ax.imshow(image_data)
>> >
>> > However, this does not work optimally, as it is plotting the raster
>> > output potentially leading to low-res images.
>> >
>> > So I am wondering if there is an easier way of doing this?
>> >
>> > And, if there isn't: would there be any interest in having such
>> > functionality? For example a get_matplotlib_figure(ase_atoms_object) which
>> > returns a figure and/or subplots of the structure, where if a subplot or
>> > figure is given to the function, the structure is plotted in the given
>> > figure and/or subplot.
>> >
>> > It would be fairly straight forward to implement this, since all the
>> > plotting code is already in the ase.io.eps module.
>> >
>> > Magnus
>> > _______________________________________________
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>> > ase-users at listserv.fysik.dtu.dk
>> > https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users
>>
>>
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>
>
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