def from_cell_str(cls, unit_cell_str, sub=slice(None)):
sub = fix_slice(sub)
if "," in unit_cell_str:
parameters = list(parse_unit(word) for word in unit_cell_str.split(",") if len(word) > 0)
if len(parameters) == 1:
a = parameters[0]
single = numpy.array([[a,0,0],[0,a,0],[0,0,a]], float)
elif len(parameters) == 3:
a,b,c = parameters
single = numpy.array([[[a,0,0],[0,b,0],[0,0,c]]], float)
elif len(parameters) == 6:
a,b,c,alpha,beta,gamma = parameters
uc = UnitCell(
numpy.array([[1,0,0],[0,1,0],[0,0,1]], float),
numpy.array([True, True, True]),
)
uc.set_parameterst(numpy.array([a,b,c]), numpy.array([alpha,beta,gamma]))
single = uc.cell
elif len(parameters) == 9:
single = numpy.array(parameters,float).reshape((3,3)).transpose()
else:
raise ValueError("If the --cell option contains comma's, one, three, six or nine value(s) are expected.")
data = single.reshape((3,3,1))
else:
data = [
[
load_track("%s.%s.%s" % (unit_cell_str, v, c), sub)
for v in "abc"
]
for c in "xyz"
]
return cls(data)
def from_prefix(cls, prefix, sub=slice(None)):
return cls([load_track('%s.%s' % (prefix, c), sub) for c in 'xyz'])
