def test_fcc_supercells():
from pylada.crystal.bravais import fcc
from pylada.decorations import supercells
lattice = fcc()
scs = supercells(lattice, list(range(11)))
results = [1, 2, 3, 7, 5, 10, 7, 20, 14, 18]
for r, s in zip(results, scs.values()):
assert r, len(s)
def test_fcc_supercells():
from pylada.crystal.bravais import fcc
from pylada.decorations import supercells
lattice = fcc()
scs = supercells(lattice, list(range(11)))
results = [1, 2, 3, 7, 5, 10, 7, 20, 14, 18]
for r, s in zip(results, scs.values()):
assert r, len(s)
def test_nosyms_supercells():
from pylada.decorations import supercells
from pylada.crystal import Structure
lattice = Structure([[1.0, 0.2, 0], [0, 0.9, -0.1], [0, 0, 0.8]]) \
.add_atom(0, 0, 0, 'Si')
scs = supercells(lattice, list(range(17)))
results = [1, 7, 13, 35, 31, 91, 57, 155, 130, 217, 133, 455, 183, 399, 403, 651]
for r, s in zip(results, scs.values()):
assert r == len(s)
def test_nosyms_supercells():
from pylada.decorations import supercells
from pylada.crystal import Structure
lattice = Structure([[1.0, 0.2, 0], [0, 0.9, -0.1], [0, 0, 0.8]]) \
.add_atom(0, 0, 0, 'Si')
scs = supercells(lattice, list(range(17)))
results = [
1, 7, 13, 35, 31, 91, 57, 155, 130, 217, 133, 455, 183, 399, 403, 651
]
for r, s in zip(results, scs.values()):
assert r == len(s)
