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closes #185
closes #181
closes #177

and basic data structure is a 2D array with everything in it

xarray = np.empty(0)
if yarray is None:
yarray = np.empty(0)
self.insert_scattering_quantity(
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nice re-use of insert_scattering_quantity

self.name = name
self.wavelength = wavelength
self.all_arrays = np.empty(shape=(len(yarray), 4))
self.all_arrays[:, 0] = yarray
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This is much much easier to read now!

"scat_quantity": "x-ray",
"wavelength": 0.71,
"xtype": "q",
"xarray": np.array([1.0, 2.0]),
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Much nicer tests..

@bobleesj
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bobleesj commented Dec 4, 2024

@sbillinge Also passes locally now. Just checked out your branch.

@sbillinge
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thank for the review @bobleesj . I will merge this now so the team can push on.....

@sbillinge sbillinge merged commit ed9fb03 into diffpy:main Dec 4, 2024
3 checks passed
@sbillinge sbillinge deleted the constructor branch December 4, 2024 13:42
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codecov bot commented Dec 4, 2024

Codecov Report

Attention: Patch coverage is 92.50000% with 3 lines in your changes missing coverage. Please review.

Project coverage is 96.53%. Comparing base (fdbefb3) to head (daa9c3f).
Report is 4 commits behind head on main.

Files with missing lines Patch % Lines
tests/test_diffraction_objects.py 92.50% 3 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #193      +/-   ##
==========================================
- Coverage   97.31%   96.53%   -0.78%     
==========================================
  Files           8        8              
  Lines         261      289      +28     
==========================================
+ Hits          254      279      +25     
- Misses          7       10       +3     
Files with missing lines Coverage Δ
tests/test_transforms.py 100.00% <ø> (ø)
tests/test_diffraction_objects.py 86.56% <92.50%> (+1.95%) ⬆️

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refactor base type for DiffractionObject data Allow initialization of DO on instantiation diffraction objects set_all_arrays

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