def test_type_errors():
"""Modifier return values should be arrays and satisfy a few dtype criteria"""
build_model(pb.onsite_energy_modifier(lambda energy: energy + 1))
with pytest.raises(TypeError) as excinfo:
build_model(pb.onsite_energy_modifier(lambda: 1))
assert "Modifiers must return ndarray(s)" in str(excinfo.value)
build_model(pb.site_position_modifier(lambda x, y, z: (x, y, z)))
with pytest.raises(TypeError) as excinfo:
build_model(pb.site_position_modifier(lambda x, y, z: (x, y)))
assert "expected to return 3 ndarray(s), but got 2" in str(excinfo.value)
with pytest.raises(TypeError) as excinfo:
build_model(pb.onsite_energy_modifier(lambda: (one, one)))
assert "expected to return 1 ndarray(s), but got 2" in str(excinfo.value)
with pytest.raises(TypeError) as excinfo:
build_model(pb.onsite_energy_modifier(lambda x: np.zeros(x.size // 2)))
assert "must return the same size" in str(excinfo.value)
def complex_ones(energy):
return np.ones_like(energy, dtype=np.complex128)
build_model(pb.hopping_energy_modifier(complex_ones))
build_model(pb.onsite_energy_modifier(complex_ones))
with pytest.raises(TypeError) as excinfo:
build_model(
pb.site_position_modifier(
lambda x: (np.ones_like(x, dtype=np.complex128), ) * 3))
assert "'complex128', but expected same kind as 'float32'" in str(
excinfo.value)
def test_modifier_function_signature():
pb.onsite_energy_modifier(lambda energy: energy)
with pytest.raises(RuntimeError) as excinfo:
pb.onsite_energy_modifier(lambda this_is_unexpected: None)
assert "Unexpected argument" in str(excinfo.value)
with pytest.raises(RuntimeError) as excinfo:
pb.onsite_energy_modifier(lambda energy, x, y, z, w: None)
assert "Unexpected argument" in str(excinfo.value)
def test_decorator():
pb.onsite_energy_modifier(lambda energy: energy)
with pytest.raises(RuntimeError) as excinfo:
pb.onsite_energy_modifier(lambda this_is_unexpected: None)
assert "Unexpected argument" in str(excinfo.value)
with pytest.raises(RuntimeError) as excinfo:
pb.onsite_energy_modifier(lambda energy, x, y, z, w: None)
assert "Unexpected argument" in str(excinfo.value)
pb.onsite_energy_modifier(lambda energy: energy + 1)
with pytest.raises(RuntimeError) as excinfo:
pb.onsite_energy_modifier(lambda: 1)
assert "Modifier must return numpy.ndarray" in str(excinfo.value)
pb.site_position_modifier(lambda x, y, z: (x, y, z))
with pytest.raises(RuntimeError) as excinfo:
pb.site_position_modifier(lambda x, y, z: (x, y))
assert "expected to return 3 ndarray(s), but got 2" in str(excinfo.value)
with pytest.raises(RuntimeError) as excinfo:
pb.onsite_energy_modifier(lambda: (one, one))
assert "expected to return 1 ndarray(s), but got 2" in str(excinfo.value)
with pytest.raises(RuntimeError) as excinfo:
pb.onsite_energy_modifier(lambda x: np.zeros(x.size // 2))
assert "must return the same shape" in str(excinfo.value)
pb.hopping_energy_modifier(lambda energy: np.ones_like(energy, dtype=np.complex128))
with pytest.raises(RuntimeError) as excinfo:
pb.onsite_energy_modifier(lambda energy: np.ones_like(energy, dtype=np.complex128))
assert "must not return complex" in str(excinfo.value)
@pb.onsite_energy_modifier
def modifier_return_checker_should_ignore_invalid_sublattices(energy, sub_id):
energy[sub_id == 'invalid'] = 0
return energy