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Merged
sbillinge merged 12 commits into from
Dec 22, 2024
Merged

Continue refactor test functions, replace UC to C in test_transforms.py #266

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2dfb953
Continue refactor test functions, replace UC to C
bobleesj Dec 22, 2024
65d9d61
Add news containing no news
bobleesj Dec 22, 2024
edd44ee
[pre-commit.ci] auto fixes from pre-commit hooks
pre-commit-ci[bot] Dec 22, 2024
47750a0
Fix minor typo from C. to C:
bobleesj Dec 22, 2024
b61eaca
Start comment with a cap letter
bobleesj Dec 22, 2024
6570061
Refactor test_q_to_tth with full sentence
bobleesj Dec 22, 2024
df0f539
Refine test comment using Expect
bobleesj Dec 22, 2024
9188171
Another round of test comment fix
bobleesj Dec 22, 2024
704ac0f
[pre-commit.ci] auto fixes from pre-commit hooks
pre-commit-ci[bot] Dec 22, 2024
d5e2cfd
Continue to refactor test_tth_to_q_bad
bobleesj Dec 22, 2024
c8d7a1f
Merge branch 'runtime-warning' of https://github.com/bobleesj/diffpy.…
bobleesj Dec 22, 2024
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bobleesj Dec 22, 2024
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23 changes: 23 additions & 0 deletions news/pytest-test-refactor.rst
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Original file line number Diff line number Diff line change
@@ -0,0 +1,23 @@
**Added:**

* No news added: refactoring tests that have been mentioned in previous news

**Changed:**

* <news item>

**Deprecated:**

* <news item>

**Removed:**

* <news item>

**Fixed:**

* <news item>

**Security:**

* <news item>
147 changes: 76 additions & 71 deletions tests/test_diffraction_objects.py
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@bobleesj bobleesj Dec 22, 2024

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In the group, do we want to call it "C" instead of "Case"?

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@sbillinge sbillinge Dec 22, 2024

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I think either can work

Original file line number Diff line number Diff line change
Expand Up @@ -186,7 +186,7 @@ def test_init_invalid_xtype():
"org_do_args, target_do_args, scale_inputs, expected",
[
# Test that scale_to() scales to the correct values
# Case 1: same x-array and y-array, check offset
# C1: same x-array and y-array, check offset
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(
{
"xarray": np.array([10, 15, 25, 30, 60, 140]),
Expand All @@ -208,7 +208,7 @@ def test_init_invalid_xtype():
},
{"xtype": "tth", "yarray": np.array([4.1, 5.1, 6.1, 7.1, 8.1, 9.1])},
),
# Case 2: same length x-arrays with exact x-value match
# C2: same length x-arrays with exact x-value match
(
{
"xarray": np.array([10, 15, 25, 30, 60, 140]),
Expand All @@ -230,7 +230,7 @@ def test_init_invalid_xtype():
},
{"xtype": "tth", "yarray": np.array([1, 2, 2.5, 3, 6, 10])},
),
# Case 3: same length x-arrays with approximate x-value match
# C3: same length x-arrays with approximate x-value match
(
{
"xarray": np.array([0.12, 0.24, 0.31, 0.4]),
Expand All @@ -252,7 +252,7 @@ def test_init_invalid_xtype():
},
{"xtype": "q", "yarray": np.array([1, 2, 4, 6])},
),
# Case 4: different x-array lengths with approximate x-value match
# C4: different x-array lengths with approximate x-value match
(
{
"xarray": np.array([10, 25, 30.1, 40.2, 61, 120, 140]),
Expand All @@ -272,7 +272,7 @@ def test_init_invalid_xtype():
"d": None,
"offset": 0,
},
# Case 5: Scaling factor is calculated at index = 4 (tth=61) for self and index = 5 for target (tth=62)
# C5: Scaling factor is calculated at index = 4 (tth=61) for self and index = 5 for target (tth=62)
{"xtype": "tth", "yarray": np.array([1, 2, 3, 4, 5, 6, 10])},
),
],
Expand All @@ -287,76 +287,81 @@ def test_scale_to(org_do_args, target_do_args, scale_inputs, expected):
assert np.allclose(scaled_do.on_xtype(expected["xtype"])[1], expected["yarray"])


params_scale_to_bad = [
# UC1: user did not specify anything
(
{
"xarray": np.array([0.1, 0.2, 0.3]),
"yarray": np.array([1, 2, 3]),
"xtype": "q",
"wavelength": 2 * np.pi,
"target_xarray": np.array([0.05, 0.1, 0.2, 0.3]),
"target_yarray": np.array([5, 10, 20, 30]),
"target_xtype": "q",
"target_wavelength": 2 * np.pi,
"q": None,
"tth": None,
"d": None,
"offset": 0,
}
),
# UC2: user specified more than one of q, tth, and d
(
{
"xarray": np.array([10, 25, 30.1, 40.2, 61, 120, 140]),
"yarray": np.array([10, 20, 30, 40, 50, 60, 100]),
"xtype": "tth",
"wavelength": 2 * np.pi,
"target_xarray": np.array([20, 25.5, 32, 45, 50, 62, 100, 125, 140]),
"target_yarray": np.array([1.1, 2, 3, 3.5, 4, 5, 10, 12, 13]),
"target_xtype": "tth",
"target_wavelength": 2 * np.pi,
"q": None,
"tth": 60,
"d": 10,
"offset": 0,
}
),
]


@pytest.mark.parametrize("inputs", params_scale_to_bad)
def test_scale_to_bad(inputs):
orig_diff_object = DiffractionObject(
xarray=inputs["xarray"], yarray=inputs["yarray"], xtype=inputs["xtype"], wavelength=inputs["wavelength"]
)
target_diff_object = DiffractionObject(
xarray=inputs["target_xarray"],
yarray=inputs["target_yarray"],
xtype=inputs["target_xtype"],
wavelength=inputs["target_wavelength"],
)
@pytest.mark.parametrize(
"org_do_args, target_do_args, scale_inputs",
[
# UC1: user did not specify anything
(
{
"xarray": np.array([0.1, 0.2, 0.3]),
"yarray": np.array([1, 2, 3]),
"xtype": "q",
"wavelength": 2 * np.pi,
},
{
"xarray": np.array([0.05, 0.1, 0.2, 0.3]),
"yarray": np.array([5, 10, 20, 30]),
"xtype": "q",
"wavelength": 2 * np.pi,
},
{
"q": None,
"tth": None,
"d": None,
"offset": 0,
},
),
# UC2: user specified more than one of q, tth, and d
(
{
"xarray": np.array([10, 25, 30.1, 40.2, 61, 120, 140]),
"yarray": np.array([10, 20, 30, 40, 50, 60, 100]),
"xtype": "tth",
"wavelength": 2 * np.pi,
},
{
"xarray": np.array([20, 25.5, 32, 45, 50, 62, 100, 125, 140]),
"yarray": np.array([1.1, 2, 3, 3.5, 4, 5, 10, 12, 13]),
"xtype": "tth",
"wavelength": 2 * np.pi,
},
{
"q": None,
"tth": 60,
"d": 10,
"offset": 0,
},
),
],
)
def test_scale_to_bad(org_do_args, target_do_args, scale_inputs):
original_do = DiffractionObject(**org_do_args)
target_do = DiffractionObject(**target_do_args)
with pytest.raises(
ValueError, match="You must specify exactly one of 'q', 'tth', or 'd'. Please rerun specifying only one."
):
orig_diff_object.scale_to(
target_diff_object, q=inputs["q"], tth=inputs["tth"], d=inputs["d"], offset=inputs["offset"]
original_do.scale_to(
target_do,
q=scale_inputs["q"],
tth=scale_inputs["tth"],
d=scale_inputs["d"],
offset=scale_inputs["offset"],
)


params_index = [
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@bobleesj bobleesj Dec 22, 2024

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just moving params_index under @pytest.mark.parametrize

# UC1: exact match
(4 * np.pi, np.array([30.005, 60]), np.array([1, 2]), "tth", "tth", 30.005, [0]),
# UC2: target value lies in the array, returns the (first) closest index
(4 * np.pi, np.array([30, 60]), np.array([1, 2]), "tth", "tth", 45, [0]),
(4 * np.pi, np.array([30, 60]), np.array([1, 2]), "tth", "q", 0.25, [0]),
# UC3: target value out of the range, returns the closest index
(4 * np.pi, np.array([0.25, 0.5, 0.71]), np.array([1, 2, 3]), "q", "q", 0.1, [0]),
(4 * np.pi, np.array([30, 60]), np.array([1, 2]), "tth", "tth", 63, [1]),
]


@pytest.mark.parametrize("wavelength, xarray, yarray, xtype_1, xtype_2, value, expected_index", params_index)
@pytest.mark.parametrize(
"wavelength, xarray, yarray, xtype_1, xtype_2, value, expected_index",
[
# UC1: exact match
(4 * np.pi, np.array([30.005, 60]), np.array([1, 2]), "tth", "tth", 30.005, [0]),
# UC2: target value lies in the array, returns the (first) closest index
(4 * np.pi, np.array([30, 60]), np.array([1, 2]), "tth", "tth", 45, [0]),
(4 * np.pi, np.array([30, 60]), np.array([1, 2]), "tth", "q", 0.25, [0]),
# UC3: target value out of the range, returns the closest index
(4 * np.pi, np.array([0.25, 0.5, 0.71]), np.array([1, 2, 3]), "q", "q", 0.1, [0]),
(4 * np.pi, np.array([30, 60]), np.array([1, 2]), "tth", "tth", 63, [1]),
],
)
def test_get_array_index(wavelength, xarray, yarray, xtype_1, xtype_2, value, expected_index):
do = DiffractionObject(wavelength=wavelength, xarray=xarray, yarray=yarray, xtype=xtype_1)
actual_index = do.get_array_index(value=value, xtype=xtype_2)
Expand Down Expand Up @@ -482,11 +487,11 @@ def test_init_valid(do_init_args, expected_do_dict, divide_by_zero_warning_expec
@pytest.mark.parametrize(
"do_init_args, expected_error_msg",
[
( # Case 1: no arguments provided
( # C1: no arguments provided
{},
"missing 3 required positional arguments: 'xarray', 'yarray', and 'xtype'",
),
( # Case 2: only xarray and yarray provided
( # C2: only xarray and yarray provided
{"xarray": np.array([0.0, 90.0]), "yarray": np.array([0.0, 90.0])},
"missing 1 required positional argument: 'xtype'",
),
Expand Down
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