51 lines
1.3 KiB
Python
51 lines
1.3 KiB
Python
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# creates: bztable.rst
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# creates: 00.CUB.svg 01.FCC.svg 02.BCC.svg 03.TET.svg 04.BCT1.svg
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# creates: 05.BCT2.svg 06.ORC.svg 07.ORCF1.svg 08.ORCF2.svg 09.ORCF3.svg
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# creates: 10.ORCI.svg 11.ORCC.svg 12.HEX.svg 13.RHL1.svg 14.RHL2.svg
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# creates: 15.MCL.svg 16.MCLC1.svg 17.MCLC3.svg 18.MCLC5.svg 19.TRI1a.svg
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# creates: 20.TRI1b.svg 21.TRI2a.svg 22.TRI2b.svg
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# creates: 23.OBL.svg 24.RECT.svg 25.CRECT.svg 26.HEX2D.svg 27.SQR.svg
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# taken from https://wiki.fysik.dtu.dk/ase/gallery/gallery.html
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from formulary import *
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from ase.lattice import all_variants
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from ase.data import colors
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header = """\
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Brillouin zone data
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-------------------
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.. list-table::
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:widths: 10 15 45
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"""
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entry = """\
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* - {name} ({longname})
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- {bandpath}
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- .. image:: {fname}
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:width: 40 %
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"""
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with open('bztable.rst', 'w') as fd:
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print(header, file=fd)
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for i, lat in enumerate(all_variants()):
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id = f'{i:02d}.{lat.variant}'
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imagefname = f'out/{id}.svg'
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txt = entry.format(name=lat.variant,
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longname=lat.longname,
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bandpath=lat.bandpath().path,
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fname=imagefname)
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print(txt, file=fd)
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ax = lat.plot_bz()
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fig = ax.get_figure()
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fig.savefig(imagefname, bbox_inches='tight')
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fig.clear()
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