def test_DmrTwoSinglets_pa():
sim = DnmrTwoSinglets(165, 135, 1.5, 0.5, 0.5, 0.5)
sim.pa = 0.75
assert sim.pa == 0.75
with pytest.raises(ValueError):
sim.pa = -0.00000000001
with pytest.raises(ValueError):
sim.pa = 1.00000000001
def test_DnmrTwoSinglets_properties():
sim = DnmrTwoSinglets(1, 2, 3, 4, 5, 0.6, (7, 8))
sim.va = 165.0
sim.vb = 135.0
sim.k = 1.5
sim.wa = 0.5
sim.wb = 0.5
sim.pa = 0.5
sim.limits = (85.0, 215.0)
sim_args = (sim.va, sim.vb, sim.k, sim.wa, sim.wb, sim.pa, sim.limits)
print('result: ', sim_args)
assert sim_args == (165.0, 135.0, 1.5, 0.5, 0.5, 0.5, (85.0, 215.0))
def test_DnmrTwoSinglets_frequencies_commute():
ab = DnmrTwoSinglets(165.00, 135.00, 1.50, 2.50, 0.50, 0.75)
ba = DnmrTwoSinglets(135.00, 165.00, 1.50, 0.50, 2.50, 0.25)
ab_spec = ab.lineshape() # doing this saves a function call (faster test)
ba_spec = ba.lineshape()
popplot(*ab_spec)
popplot(*ba_spec)
np.testing.assert_array_almost_equal(ab_spec, ba_spec)
def test_DnmrTwoSinglets_fastexchange():
sim = DnmrTwoSinglets(165, 135, 1000, 0.5, 0.5, 0.5)
assert np.allclose(sim.lineshape(), TWOSPIN_FAST)
popplot(*sim.lineshape())
def test_DnmrTwoSinglets_coalesce():
sim = DnmrTwoSinglets(165, 135, 65.9, 0.5, 0.5, 0.5)
assert np.allclose(sim.lineshape(), TWOSPIN_COALESCE)
popplot(*sim.lineshape())
def test_DnmrTwoSinglets_slow_exchange():
sim = DnmrTwoSinglets(165, 135, 1.5, 0.5, 0.5, 0.5)
assert np.allclose(sim.lineshape(), TWOSPIN_SLOW)
popplot(*sim.lineshape())
def test_DnmrTwoSinglets_limit_error(limits):
with pytest.raises((AttributeError, TypeError, ValueError)):
sim = DnmrTwoSinglets(limits=limits)
assert sim
def test_DnmrTwoSinglets_instantiates():
args = (165, 135, 1.5, 0.5, 0.5, 0.5, (215, 85))
sim = DnmrTwoSinglets(*args)
expected_args = (165, 135, 1.5, 0.5, 0.5, (85, 215))
actual_args = (sim.va, sim.vb, sim.k, sim.wa, sim.wb, sim.limits)
assert expected_args == actual_args
def test_DnmrTwoSinglets_limits():
sim = DnmrTwoSinglets(165, 135, 1.5, 0.5, 0.5, 0.5)
sim.limits = (500, 0)
assert sim.limits == (0, 500)