def test_ternary():
from pylada.crystal import bravais
from pylada.enum import generate_bitstrings
from ternarysets import ternarysets
lattice = bravais.fcc()
lattice[0].type = ['Si', 'Ge', 'C']
for n in xrange(1, 9):
result = []
for x, hft, hermite in generate_bitstrings(lattice, [n]):
result.append( ''.join(str(i) for i in hermite.flatten()[[0, 3, 4, 6, 7, 8]])
+ ' ' + ''.join(str(i-1) for i in x) )
assert len(result) == len(ternarysets[n])
assert set(result) == ternarysets[n]
def test_zincblende():
from pylada.crystal import binary
from pylada.enum import generate_bitstrings
from zincblendesets import zincblendesets
lattice = binary.zinc_blende()
lattice[0].type = ['Si', 'Ge']
lattice[1].type = ['Ga']
for n in xrange(2, 8):
result = []
for x, hft, hermite in generate_bitstrings(lattice, [n]):
result.append( ''.join(str(i) for i in hermite.flatten()[[0, 3, 4, 6, 7, 8]])
+ ' ' + ''.join(str(i-1) for i in x) )
assert len(result) == len(zincblendesets[n])
assert set(result) == zincblendesets[n]
