def lattice_to_dict(lattice: SrRealParSet, angunits="rad") -> dict:
"""Convert lattice parameter set to dictionary. If angle is in radian, convert it to degree."""
dct = dict(zip(lattice.getNames(), lattice.getValues()))
if angunits == "rad":
for angle in ('alpha', 'beta', 'gamma'):
dct[angle] = math.degrees(dct[angle])
return dct
def atom_to_dict(atom: SrRealParSet) -> dict:
"""Convert atom parameter set to dictionary."""
dct = dict(zip(atom.getNames(), atom.getValues()))
dct.update({'name': atom.name, 'element': atom.element})
return dct