Beispiel #1
0
 def __init__(self, axis, angle):
     self.axis = axis
     self.angle = angle
     self.R = MolCo.rotation_matrix(axis, angle)
     self.S = MolCo.reflection_matrix(axis)
Beispiel #2
0
 def __init__(self, axis):
     """
     axis is the normal to the plane of reflection
     """
     self.axis = axis
     self.S = MolCo.reflection_matrix(axis)