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Do not allow an empty instance of DiffractionObject - require xarrays yarrays xtype #228

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Merged
merged 33 commits into from
Dec 16, 2024
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92a2c4c
Add do_minimal setup to conftest
bobleesj Dec 14, 2024
56541e5
Refactor and remove input_data func
bobleesj Dec 14, 2024
1144d1f
Re-organize test with required parameters of xarray, yarray, waveleng…
bobleesj Dec 14, 2024
e7b4dc2
Add input public data back to init func
bobleesj Dec 14, 2024
6dc2738
Remove print diff function in pytest for debugging
bobleesj Dec 14, 2024
50b7d0d
Update input_data docstrings for clarity
bobleesj Dec 14, 2024
291cc89
Add quotation marks around q, tth, d in docstrings
bobleesj Dec 14, 2024
b8a9adc
Use empty string for default scattering quantity
bobleesj Dec 14, 2024
e3c5208
Final cleanup on input_data docstrings
bobleesj Dec 14, 2024
db89596
Merge branch 'main' into no-empty-object
bobleesj Dec 14, 2024
de6f12d
make wavelength optional, test invalid init args
bobleesj Dec 14, 2024
7ccebe8
Add wavelength user behavior back
bobleesj Dec 14, 2024
2752578
[pre-commit.ci] auto fixes from pre-commit hooks
pre-commit-ci[bot] Dec 14, 2024
d1f767b
Restore wavelenght none in one of the test cases
bobleesj Dec 14, 2024
afe814b
Fix typo in docstrings
bobleesj Dec 14, 2024
46c7be8
Use refined param names for pytest parametrize
bobleesj Dec 14, 2024
d24aacd
Remove hard coded wavelength in test func
bobleesj Dec 14, 2024
e285214
Add news for requires 3 input parameters of , ,
bobleesj Dec 14, 2024
4f54439
Merge branch 'main' into no-empty-object
bobleesj Dec 15, 2024
7a2603e
[pre-commit.ci] auto fixes from pre-commit hooks
pre-commit-ci[bot] Dec 15, 2024
8693153
Add metadata data by materials scientist
bobleesj Dec 16, 2024
e68b59e
Add name example to diffraction object example
bobleesj Dec 16, 2024
235f624
Order x, y, xtype for _set_arrays
bobleesj Dec 16, 2024
88ea61b
Remove 0.71 harded coded wavelength
bobleesj Dec 16, 2024
6b20c1a
Add wavelength of 0.711 and 0.71 back
bobleesj Dec 16, 2024
9f0f11a
[pre-commit.ci] auto fixes from pre-commit hooks
pre-commit-ci[bot] Dec 16, 2024
aa1af39
Final setup of wavelenth value comparison
bobleesj Dec 16, 2024
d09d7fb
news tweak
sbillinge Dec 16, 2024
0e362c1
tweak name example
sbillinge Dec 16, 2024
c142240
tweak array length error message
sbillinge Dec 16, 2024
24b1bbc
fix missing quote
sbillinge Dec 16, 2024
2c51af1
fix error message check
sbillinge Dec 16, 2024
ba4b985
[pre-commit.ci] auto fixes from pre-commit hooks
pre-commit-ci[bot] Dec 16, 2024
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tweak name example
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sbillinge authored Dec 16, 2024
commit 0e362c155b39eefbd7988f4f8bfec6696f97cd02
2 changes: 1 addition & 1 deletion src/diffpy/utils/diffraction_objects.py
Original file line number Diff line number Diff line change
Expand Up @@ -76,7 +76,7 @@ class DiffractionObject:
... xtype="q",
... wavelength=1.54,
... scat_quantity="x-ray",
... name="Rock Salt X-ray Diffraction",
... name="beach_rock_salt_1",
... metadata=metadata
... )
>>> print(do.metadata)
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