def __init__(self, symbol_or_Z=None, position=(0, 0, 0), relative=None):
try:
self._Z = int(symbol_or_Z)
except ValueError:
self._Z = symbol2number(str(symbol_or_Z))
if relative is None:
self._position = array(position)
else:
if len(relative) == 2:
atom = Atom("H", relative[0].position + (1, 0, 0))
A = 0
relative = relative + [atom, A]
if len(relative) == 4:
atom = Atom("H", relative[2].position + (0, 1, 0))
D = 0
relative = relative + [atom, D]
self._position = self.get_position_from_relative(relative)
def __init__(self, symbol_or_Z=None, position=(0, 0, 0)):
try:
self._Z = int(symbol_or_Z)
except ValueError:
self._Z = symbol2number(str(symbol_or_Z))
self._position = array(position)
