def test_PESCoreLineShape_fit(Shirley):
# Component parameter values
A = 10
FWHM = 0.5
origin = 5.0
shirley = 0.01 if Shirley else 0.0
offset, scale, size = 0, 0.1, 100
x = np.linspace(offset, scale * size, size)
comp = PESCoreLineShape(A=A, FWHM=FWHM, origin=origin)
comp.Shirley = Shirley
comp.shirley.value = shirley
s = hs.signals.Signal1D(comp.function(x))
axis = s.axes_manager[0]
axis.offset, axis.scale = offset, scale
s.add_gaussian_noise(0.1, random_state=1)
m = s.create_model()
core_line = PESCoreLineShape(A=1, FWHM=1.5, origin=0.5)
core_line.Shirley = Shirley
m.append(core_line)
m.fit(grad='analytical')
np.testing.assert_allclose(core_line.A.value, A, rtol=0.1)
np.testing.assert_allclose(abs(core_line.FWHM.value), FWHM, rtol=0.1)
np.testing.assert_allclose(core_line.origin.value, origin, rtol=0.1)
np.testing.assert_allclose(core_line.shirley.value, shirley, rtol=0.1)
def test_recreate_component(Shirley):
core_line = PESCoreLineShape(A=10, FWHM=1.5, origin=0.5)
core_line.Shirley = Shirley
s = hs.signals.Signal1D(np.zeros(10))
m = s.create_model()
m.append(core_line)
model_dict = m.as_dictionary()
m2 = s.create_model()
m2._load_dictionary(model_dict)
assert m2[0].Shirley == Shirley
def test_PESCoreLineShape_shirley():
core_line = PESCoreLineShape(A=10, FWHM=1.5, origin=0.5)
core_line.Shirley = True
core_line.shirley.value = 0.01
x = np.linspace(-5, 15, 10)
np.testing.assert_allclose(
core_line.function(x),
np.array([
0.144159014, 0.504843825, 7.16330182, 6.57790840, 0.290720786,
6.13260758e-04, 6.17204245e-08, 2.96359844e-13, 6.78916184e-20,
7.42026292e-28
]))
np.testing.assert_allclose(core_line.function(x), core_line.function_nd(x))
def test_PESCoreLineShape_function_nd(Shirley):
A, FWHM, origin = 10, 1.5, 0.
core_line = PESCoreLineShape(A=A, FWHM=FWHM, origin=origin)
core_line.Shirley = Shirley
core_line.shirley.value = 0.01 if Shirley else 0.0
x = np.linspace(-5, 15, 1000)
s = hs.signals.Signal1D(np.array([x] * 2))
# Manually set to test function_nd
core_line._axes_manager = s.axes_manager
core_line._create_arrays()
core_line.A.map['values'] = [A] * 2
core_line.FWHM.map['values'] = [FWHM] * 2
core_line.origin.map['values'] = [origin] * 2
core_line.shirley.map['values'] = [core_line.shirley.value] * 2
values = core_line.function_nd(x)
assert values.shape == (2, len(x))
for v in values:
np.testing.assert_allclose(v, core_line.function(x), rtol=0.5)
