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Re-organize test with required parameters of xarray, yarray, wavelength, and xtype
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‎tests/test_diffraction_objects.py‎

Lines changed: 40 additions & 76 deletions
Original file line numberDiff line numberDiff line change
@@ -11,11 +11,6 @@
1111
from diffpy.utils.diffraction_objects import XQUANTITIES, DiffractionObject
1212

1313
params = [
14-
( # Default
15-
{},
16-
{},
17-
True,
18-
),
1914
( # Compare same attributes
2015
{
2116
"name": "same",
@@ -41,17 +36,17 @@
4136
{
4237
"name": "something",
4338
"scat_quantity": "",
44-
"wavelength": None,
45-
"xtype": "",
39+
"wavelength": 0.71,
40+
"xtype": "tth",
4641
"xarray": np.empty(0),
4742
"yarray": np.empty(0),
4843
"metadata": {"thing1": 1, "thing2": "thing2"},
4944
},
5045
{
5146
"name": "something else",
5247
"scat_quantity": "",
53-
"wavelength": None,
54-
"xtype": "",
48+
"wavelength": 0.71,
49+
"xtype": "tth",
5550
"xarray": np.empty(0),
5651
"yarray": np.empty(0),
5752
"metadata": {"thing1": 1, "thing2": "thing2"},
@@ -62,15 +57,15 @@
6257
{
6358
"scat_quantity": "",
6459
"wavelength": 0.71,
65-
"xtype": "",
60+
"xtype": "tth",
6661
"xarray": np.empty(0),
6762
"yarray": np.empty(0),
6863
"metadata": {"thing1": 1, "thing2": "thing2"},
6964
},
7065
{
7166
"scat_quantity": "",
72-
"wavelength": None,
73-
"xtype": "",
67+
"wavelength": 0.42,
68+
"xtype": "tth",
7469
"xarray": np.empty(0),
7570
"yarray": np.empty(0),
7671
"metadata": {"thing1": 1, "thing2": "thing2"},
@@ -81,15 +76,15 @@
8176
{
8277
"scat_quantity": "",
8378
"wavelength": 0.71,
84-
"xtype": "",
79+
"xtype": "tth",
8580
"xarray": np.empty(0),
8681
"yarray": np.empty(0),
8782
"metadata": {"thing1": 1, "thing2": "thing2"},
8883
},
8984
{
9085
"scat_quantity": "",
9186
"wavelength": 0.711,
92-
"xtype": "",
87+
"xtype": "tth",
9388
"xarray": np.empty(0),
9489
"yarray": np.empty(0),
9590
"metadata": {"thing1": 1, "thing2": "thing2"},
@@ -99,16 +94,16 @@
9994
( # Different scat_quantity
10095
{
10196
"scat_quantity": "x-ray",
102-
"wavelength": None,
103-
"xtype": "",
97+
"xtype": "tth",
98+
"wavelength": 0.71,
10499
"xarray": np.empty(0),
105100
"yarray": np.empty(0),
106101
"metadata": {"thing1": 1, "thing2": "thing2"},
107102
},
108103
{
109104
"scat_quantity": "neutron",
110-
"wavelength": None,
111-
"xtype": "",
105+
"xtype": "tth",
106+
"wavelength": 0.71,
112107
"xarray": np.empty(0),
113108
"yarray": np.empty(0),
114109
"metadata": {"thing1": 1, "thing2": "thing2"},
@@ -118,16 +113,16 @@
118113
( # Different on_q
119114
{
120115
"scat_quantity": "",
121-
"wavelength": None,
122116
"xtype": "q",
117+
"wavelength": 0.71,
123118
"xarray": np.array([1.0, 2.0]),
124119
"yarray": np.array([100.0, 200.0]),
125120
"metadata": {},
126121
},
127122
{
128123
"scat_quantity": "",
129-
"wavelength": None,
130124
"xtype": "q",
125+
"wavelength": 0.71,
131126
"xarray": np.array([3.0, 4.0]),
132127
"yarray": np.array([100.0, 200.0]),
133128
"metadata": {"thing1": 1, "thing2": "thing2"},
@@ -137,16 +132,16 @@
137132
( # Different metadata
138133
{
139134
"scat_quantity": "",
140-
"wavelength": None,
141-
"xtype": "",
135+
"xtype": "q",
136+
"wavelength": 0.71,
142137
"xarray": np.empty(0),
143138
"yarray": np.empty(0),
144139
"metadata": {"thing1": 0, "thing2": "thing2"},
145140
},
146141
{
147142
"scat_quantity": "",
148-
"wavelength": None,
149-
"xtype": "",
143+
"xtype": "q",
144+
"wavelength": 0.71,
150145
"xarray": np.empty(0),
151146
"yarray": np.empty(0),
152147
"metadata": {"thing1": 1, "thing2": "thing2"},
@@ -171,15 +166,15 @@ def test_on_xtype():
171166
assert np.allclose(test.on_xtype("d"), [np.array([12.13818, 6.28319]), np.array([1, 2])])
172167

173168

174-
def test_init_invalid_xtype():
169+
def test_init_invalid_xtype(do_minimal):
175170
with pytest.raises(
176171
ValueError,
177172
match=re.escape(
178173
f"I don't know how to handle the xtype, 'invalid_type'. "
179174
f"Please rerun specifying an xtype from {*XQUANTITIES, }"
180175
),
181176
):
182-
DiffractionObject(xtype="invalid_type")
177+
return DiffractionObject(xarray=np.empty(0), yarray=np.empty(0), xtype="invalid_type", wavelength=1.54)
183178

184179

185180
params_index = [
@@ -241,40 +236,6 @@ def test_dump(tmp_path, mocker):
241236

242237

243238
tc_params = [
244-
(
245-
{},
246-
{
247-
"_all_arrays": np.empty(shape=(0, 4)), # instantiate empty
248-
"metadata": {},
249-
"_input_xtype": "",
250-
"name": "",
251-
"scat_quantity": None,
252-
"qmin": np.float64(np.inf),
253-
"qmax": np.float64(0.0),
254-
"tthmin": np.float64(np.inf),
255-
"tthmax": np.float64(0.0),
256-
"dmin": np.float64(np.inf),
257-
"dmax": np.float64(0.0),
258-
"wavelength": None,
259-
},
260-
),
261-
( # instantiate just non-array attributes
262-
{"name": "test", "scat_quantity": "x-ray", "metadata": {"thing": "1", "another": "2"}},
263-
{
264-
"_all_arrays": np.empty(shape=(0, 4)),
265-
"metadata": {"thing": "1", "another": "2"},
266-
"_input_xtype": "",
267-
"name": "test",
268-
"scat_quantity": "x-ray",
269-
"qmin": np.float64(np.inf),
270-
"qmax": np.float64(0.0),
271-
"tthmin": np.float64(np.inf),
272-
"tthmax": np.float64(0.0),
273-
"dmin": np.float64(np.inf),
274-
"dmax": np.float64(0.0),
275-
"wavelength": None,
276-
},
277-
),
278239
( # instantiate just array attributes
279240
{
280241
"xarray": np.array([0.0, 90.0, 180.0]),
@@ -293,7 +254,7 @@ def test_dump(tmp_path, mocker):
293254
"metadata": {},
294255
"_input_xtype": "tth",
295256
"name": "",
296-
"scat_quantity": None,
257+
"scat_quantity": "",
297258
"qmin": np.float64(0.0),
298259
"qmax": np.float64(1.0),
299260
"tthmin": np.float64(0.0),
@@ -339,6 +300,9 @@ def test_dump(tmp_path, mocker):
339300
def test_constructor(inputs, expected):
340301
actual = DiffractionObject(**inputs).__dict__
341302
diff = DeepDiff(actual, expected, ignore_order=True, significant_digits=13, exclude_paths="root['_id']")
303+
print("Print diff")
304+
print(diff)
305+
# {'dictionary_item_added': ["root['name']", "root['scat_quantity']"]}
342306
assert diff == {}
343307

344308

@@ -359,8 +323,8 @@ def test_all_array_getter():
359323
assert np.allclose(actual_do.all_arrays, expected_all_arrays)
360324

361325

362-
def test_all_array_setter():
363-
actual_do = DiffractionObject()
326+
def test_all_array_setter(do_minimal):
327+
actual_do = do_minimal
364328

365329
# Attempt to directly modify the property
366330
with pytest.raises(
@@ -371,21 +335,21 @@ def test_all_array_setter():
371335
actual_do.all_arrays = np.empty((4, 4))
372336

373337

374-
def test_id_getter():
375-
do = DiffractionObject()
338+
def test_id_getter(do_minimal):
339+
do = do_minimal
376340
assert hasattr(do, "id")
377341
assert isinstance(do.id, UUID)
378342
assert len(str(do.id)) == 36
379343

380344

381-
def test_id_getter_with_mock(mocker):
345+
def test_id_getter_with_mock(mocker, do_minimal):
382346
mocker.patch.object(DiffractionObject, "id", new_callable=lambda: UUID("d67b19c6-3016-439f-81f7-cf20a04bee87"))
383-
do = DiffractionObject()
347+
do = do_minimal
384348
assert do.id == UUID("d67b19c6-3016-439f-81f7-cf20a04bee87")
385349

386350

387-
def test_id_setter_error():
388-
do = DiffractionObject()
351+
def test_id_setter_error(do_minimal):
352+
do = do_minimal
389353

390354
with pytest.raises(
391355
AttributeError,
@@ -401,18 +365,18 @@ def test_xarray_yarray_length_mismatch():
401365
"Please re-initialize 'DiffractionObject' or re-run the method 'input_data' "
402366
"with 'xarray' and 'yarray' of identical length",
403367
):
404-
DiffractionObject(xarray=np.array([1.0, 2.0]), yarray=np.array([0.0, 0.0, 0.0]))
368+
DiffractionObject(
369+
xarray=np.array([1.0, 2.0]), yarray=np.array([0.0, 0.0, 0.0]), xtype="tth", wavelength=1.54
370+
)
405371

406372

407-
def test_input_xtype_getter():
408-
do = DiffractionObject(xtype="tth")
373+
def test_input_xtype_getter(do_minimal):
374+
do = do_minimal
409375
assert do.input_xtype == "tth"
410376

411377

412-
def test_input_xtype_setter_error():
413-
do = DiffractionObject(xtype="tth")
414-
415-
# Attempt to directly modify the property
378+
def test_input_xtype_setter_error(do_minimal):
379+
do = do_minimal
416380
with pytest.raises(
417381
AttributeError,
418382
match="Direct modification of attribute 'input_xtype' is not allowed. "

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