def test_config():
# set config
b = Simulator()
error = "value is not a valid dict"
with pytest.raises(ValueError, match=f".*{error}.*"):
b.config = 5
a = Simulator()
assert b == a
# number of sidebands
assert a.config.number_of_sidebands == 64
a.config.number_of_sidebands = 1.4
assert a.config.number_of_sidebands == 1
a.config.number_of_sidebands = 10
assert a.config.number_of_sidebands == 10
error = "ensure this value is greater than 0"
with pytest.raises(ValueError, match=f".*{error}.*"):
a.config.number_of_sidebands = 0
# integration density
assert a.config.integration_density == 70
a.config.integration_density = 20
assert a.config.integration_density == 20
error = "ensure this value is greater than 0"
with pytest.raises(ValueError, match=f".*{error}.*"):
a.config.integration_density = -12
error = "value is not a valid integer"
with pytest.raises(ValueError, match=f".*{error}.*"):
a.config.integration_density = {}
# integration volume
assert a.config.integration_volume == "octant"
a.config.integration_volume = "hemisphere"
assert a.config.integration_volume == "hemisphere"
error = "unexpected value; permitted: 'octant', 'hemisphere'"
with pytest.raises(ValueError, match=f".*{error}.*"):
a.config.integration_volume = "sphere"
# decompose spectrum
assert a.config.decompose_spectrum == "none"
a.config.decompose_spectrum = "spin_system"
assert a.config.decompose_spectrum == "spin_system"
error = "unexpected value; permitted: 'none', 'spin_system'"
with pytest.raises(ValueError, match=f".*{error}.*"):
a.config.decompose_spectrum = "haha"
# overall
assert a.config.dict() == {
"decompose_spectrum": "spin_system",
"number_of_sidebands": 10,
"integration_volume": "hemisphere",
"integration_density": 20,
}
assert a.config.get_int_dict() == {
"decompose_spectrum": 1,
"number_of_sidebands": 10,
"integration_volume": 1,
"integration_density": 20,
}
assert b != a
# get orientation count
assert a.config.get_orientations_count() == 4 * 21 * 22 / 2
def test_config():
# set config
b = Simulator()
error = "value is not a valid dict"
with pytest.raises(ValueError, match=f".*{error}.*"):
b.config = 5
a = Simulator()
assert b == a
# number of sidebands
assert a.config.number_of_sidebands == 64
a.config.number_of_sidebands = 1.4
assert a.config.number_of_sidebands == 1
a.config.number_of_sidebands = 10
assert a.config.number_of_sidebands == 10
error = "ensure this value is greater than 0"
with pytest.raises(ValueError, match=f".*{error}.*"):
a.config.number_of_sidebands = 0
# integration density
assert a.config.integration_density == 70
a.config.integration_density = 20
assert a.config.integration_density == 20
error = "ensure this value is greater than 0"
with pytest.raises(ValueError, match=f".*{error}.*"):
a.config.integration_density = -12
error = "value is not a valid integer"
with pytest.raises(ValueError, match=f".*{error}.*"):
a.config.integration_density = {}
# integration volume
assert a.config.integration_volume == "octant"
a.config.integration_volume = "hemisphere"
assert a.config.integration_volume == "hemisphere"
error = "unexpected value; permitted: 'octant', 'hemisphere'"
with pytest.raises(ValueError, match=f".*{error}.*"):
a.config.integration_volume = "sphere"
# decompose spectrum
assert a.config.decompose_spectrum == "none"
a.config.decompose_spectrum = "spin_system"
assert a.config.decompose_spectrum == "spin_system"
error = "unexpected value; permitted: 'none', 'spin_system'"
with pytest.raises(ValueError, match=f".*{error}.*"):
a.config.decompose_spectrum = "haha"
# isotropic interpolation
assert a.config.isotropic_interpolation == "linear"
a.config.isotropic_interpolation = "gaussian"
assert a.config.isotropic_interpolation == "gaussian"
error = "unexpected value; permitted: 'linear', 'gaussian'"
with pytest.raises(ValueError, match=f".*{error}.*"):
a.config.isotropic_interpolation = "haha"
# number of gamma angles
assert a.config.number_of_gamma_angles == 1
a.config.number_of_gamma_angles = 14
assert a.config.number_of_gamma_angles == 14
error = "ensure this value is greater than 0"
with pytest.raises(ValueError, match=f".*{error}.*"):
a.config.integration_density = -1
# overall
assert a.config.dict(exclude={"property_units"}) == {
"decompose_spectrum": "spin_system",
"number_of_sidebands": 10,
"number_of_gamma_angles": 14,
"integration_volume": "hemisphere",
"integration_density": 20,
"isotropic_interpolation": "gaussian",
"name": None,
"description": None,
"label": None,
}
assert a.config.get_int_dict() == {
"decompose_spectrum": 1,
"number_of_sidebands": 10,
"number_of_gamma_angles": 14,
"integration_volume": 1,
"integration_density": 20,
"isotropic_interpolation": 1,
}
assert b != a
# get orientation count
assert a.config.get_orientations_count() == 4 * 21 * 22 * 14 / 2
