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add private function for initating DO #81

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Merged
merged 3 commits into from
Jun 21, 2024
Merged

add private function for initating DO #81

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a33e24b
added private function for initiating do and more readable inputs
yucongalicechen Jun 20, 2024
3d33c25
remove mocker for grid size, add mocker for expected cve
yucongalicechen Jun 21, 2024
68f8e45
add test for apply_corr
yucongalicechen Jun 21, 2024
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32 changes: 17 additions & 15 deletions src/diffpy/labpdfproc/tests/test_functions.py
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Original file line number Diff line number Diff line change
Expand Up @@ -56,27 +56,29 @@ def test_set_muls_at_angle(inputs, expected):
assert actual_muls_sorted == pytest.approx(expected_muls_sorted, rel=1e-4, abs=1e-6)


def test_compute_cve(mocker):
def _instantiate_test_do(mocker, yarray, name="test", scat_quantity="x-ray"):
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if you pass everything in we don't gain much. Are there cases where you want to vary name="test", scat_quantity="x-ray" etc?

I would make yarray a required arg too to make the code more readable.

Also, is it necessary to pass in mocker? It may be, but if not I don't think it adds much syntatically.

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Yeah I couldn't find prettier numbers for the yarrays.. they all seem a bit messy.
The name and scat_quantity are for the absorption correction DOs.
I can remove the mocker, it's not needed there.

mocker_xarray = np.array([90, 90.1, 90.2])
mocker.patch("diffpy.labpdfproc.functions.N_POINTS_ON_DIAMETER", 4)
mocker.patch("diffpy.labpdfproc.functions.TTH_GRID", np.array([45, 60, 90]))
input_pattern = Diffraction_object(wavelength=1.54)
input_pattern.insert_scattering_quantity(
np.array([45, 60, 90]),
np.array([2.2, 3, 4]),
mocker.patch("diffpy.labpdfproc.functions.TTH_GRID", mocker_xarray)
test_do = Diffraction_object(wavelength=1.54)
test_do.insert_scattering_quantity(
mocker_xarray,
yarray,
"tth",
scat_quantity="x-ray",
name="test",
scat_quantity=scat_quantity,
name=name,
metadata={"thing1": 1, "thing2": "thing2"},
)
return test_do


def test_compute_cve(mocker):
input_pattern = _instantiate_test_do(mocker, yarray=np.array([1, 1, 1]))
actual_abdo = compute_cve(input_pattern, mud=1, wavelength=1.54)
expected_abdo = Diffraction_object()
expected_abdo.insert_scattering_quantity(
np.array([45, 60, 90]),
np.array([2.54253, 2.52852, 2.49717]),
"tth",
metadata={"thing1": 1, "thing2": "thing2"},
expected_abdo = _instantiate_test_do(
mocker,
yarray=np.array([2.49717, 2.49706, 2.49695]),
name="absorption correction, cve, for test",
wavelength=1.54,
scat_quantity="cve",
)
assert actual_abdo == expected_abdo
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