def cell_to_basis(cell):
if cell is None:
raise Exception("cell_to_basis: bad cell specification.")
try:
return cell.basis
except AttributeError:
pass
if isinstance(cell, dict):
if 'niggli_matrix' in cell:
niggli_matrix = FracVector.use(cell['niggli_matrix'])
if 'orientation' in cell:
orientation = cell['orientation']
else:
orientation = 1
basis = FracVector.use(
niggli_to_basis(niggli_matrix, orientation=orientation))
elif 'a' in cell:
lengths = FracVector.create((cell['a'], cell['b'], cell['c']))
cosangles = FracVector.create_cos(
(cell['a'], cell['b'], cell['c']), degrees=True)
basis = lengths_and_cosangles_to_conventional_basis(
lengths, cosangles)
#niggli_matrix = lengths_cosangles_to_niggli(lengths,cosangles)
#basis = FracVector.use(niggli_to_basis(niggli_matrix, orientation=1))
else:
basis = FracVector.use(cell)
return basis
def angles_to_cosangles(angles):
return FracVector.create_cos(angles, degrees=True)