# creates: a1.png, a2.png, a3.png, cnt1.png, cnt2.png, gnr1.png, gnr2.png
from ase.build import bulk, graphene_nanoribbon, nanotube
from ase.io import write

for i, a in enumerate(
    [
        bulk('Cu', 'fcc', a=3.6),
        bulk('Cu', 'fcc', a=3.6, orthorhombic=True),
        bulk('Cu', 'fcc', a=3.6, cubic=True),
    ]
):
    write('a%d.pov' % (i + 1), a).render()

cnt1 = nanotube(6, 0, length=4, vacuum=2.5)
cnt1.rotate('x', 'z', rotate_cell=True)
cnt2 = nanotube(3, 3, length=6, bond=1.4, symbol='Si', vacuum=2.5)
cnt2.rotate('x', 'z', rotate_cell=True)

for i, a in enumerate([cnt1, cnt2]):
    write('cnt%d.pov' % (i + 1), a).render()

gnr1 = graphene_nanoribbon(3, 4, type='armchair', saturated=True, vacuum=2.5)
gnr2 = graphene_nanoribbon(
    2,
    6,
    type='zigzag',
    saturated=True,
    C_H=1.1,
    C_C=1.4,
    vacuum=3.0,
    magnetic=True,
    initial_mag=1.12,
)

for i, a in enumerate([gnr1, gnr2]):
    write('gnr%d.pov' % (i + 1), a, rotation='90x').render()
