[ase-users] Plot to matplotlib subplot

[Ask Hjorth Larsen]

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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