def test__rotational_constants():
""" test geom.rotational_constants()
"""
ref_cons = (2.9448201404714373e-06, 1.566795638659629e-07,
1.4876452660293155e-07)
cons = geom.rotational_constants(C2H2CLF_GEO)
assert numpy.allclose(cons, ref_cons)
def test__rotation_properties():
""" test geom.principal_axes()
test geom.rotational_constants()
"""
ref_axes = (
(-0.10203856485038033, 0.99478044375795, 1.0460242302053948e-07),
(0.765298080540252, 0.07849958398718046, 0.6388713980413003),
(-0.6355367646365401, -0.06518960063212392, 0.7693135490583429))
axes = automol.geom.principal_axes(H2O_GEO)
assert numpy.allclose(axes, ref_axes)
ref_cons = (
2.9448201404714373e-06, 1.566795638659629e-07, 1.4876452660293155e-07)
cons = geom.rotational_constants(C2H2CLF_GEO)
assert numpy.allclose(cons, ref_cons)