38254 Introducing PeakShapeDetectorBin peak shape

[warunawickramasingha]

Description of work

A new peak shape PeakShapeDetectorBin was introduced to save the shape of each peak including the detector IDs and limits of either TOF or dSpacing. This shape can be used for

• Overlap detection post integration (peaks could be excluded or flagged as combined)
• Two-step integration - re-integrate weak peaks using strong peak dimensions
• Eventual visualisation on instrument view (i.e. show bounding box of peak)

Partially fixes #38254.

Further detail of work

To test:

1. Code review
2. Unit tests should pass in python and c++
3. PeakShapeDetectorBin should be visible to python and can be inspected with below code snippet

from mantid.dataobjects import PeakShapeDetectorBin
from mantid.kernel import SpecialCoordinateSystem
detBinList = [(101, 27.0, 100.0), (202, 3000.0, 5000.0)]
shape = PeakShapeDetectorBin(detBinList, SpecialCoordinateSystem.NONE, "ParentAlgoName", 1)
print(shape.toJSON())
print(shape.algorithmName())
print(shape.algorithmVersion())
print(shape.shapeName())

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Reviewer

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[GuiMacielPereira]

The code looks good and the unit tests are comprehensive. The script provided for testing runs without issue.
I have only a few requests and I noticed that the == is not quite working?
When I run

from mantid.dataobjects import PeakShapeDetectorBin
from mantid.kernel import SpecialCoordinateSystem
detBinList = [(101, 27.0, 100.0), (202, 3000.0, 5000.0)]
shape1 = PeakShapeDetectorBin(detBinList, SpecialCoordinateSystem.NONE, "ParentAlgoName", 1)
shape2 = PeakShapeDetectorBin(detBinList, SpecialCoordinateSystem.NONE, "ParentAlgoName", 1)
print(shape1==shape2)

It prints False, but from the code it looks like the intention is to print True?
Unless I misunderstood in which case you can ignore this.

[warunawickramasingha]

The code looks good and the unit tests are comprehensive. The script provided for testing runs without issue. I have only a few requests and I noticed that the == is not quite working? When I run

from mantid.dataobjects import PeakShapeDetectorBin
from mantid.kernel import SpecialCoordinateSystem
detBinList = [(101, 27.0, 100.0), (202, 3000.0, 5000.0)]
shape1 = PeakShapeDetectorBin(detBinList, SpecialCoordinateSystem.NONE, "ParentAlgoName", 1)
shape2 = PeakShapeDetectorBin(detBinList, SpecialCoordinateSystem.NONE, "ParentAlgoName", 1)
print(shape1==shape2)

It prints False, but from the code it looks like the intention is to print True? Unless I misunderstood in which case you can ignore this.

Thanks for the detailed review @GuiMacielPereira !
The above observation was because the operator== was not exposed to python's __eq__ method.

The same behaviour can be observed in the existing peak shapes such as PeakShapeEllipsoid, PeakShapeSpherical from python. You could try that by

from mantid.dataobjects import PeakShapeSpherical, PeakShapeEllipsoid
sphere1 = PeakShapeSpherical(0.5)
sphere2 = PeakShapeSpherical(0.5)
print(sphere1 == sphere2)  # <-- False

ellipse1 = PeakShapeEllipsoid([V3D(1, 0, 0), V3D(0, 1, 0), V3D(0, 0, 1)], [0.1, 0.2, 0.3], [0.4, 0.5, 0.6], [0.7, 0.8, 0.9])
ellipse2 = PeakShapeEllipsoid([V3D(1, 0, 0), V3D(0, 1, 0), V3D(0, 0, 1)], [0.1, 0.2, 0.3], [0.4, 0.5, 0.6], [0.7, 0.8, 0.9])
print(ellipse1 == ellipse2) # <-- False

However I have fixed this for PeakShapeDetectorBin and would now output True in your example.

[GuiMacielPereira]

Thank you for your explanation, I think we should keep __eq__ doing the same thing as the other classes. If you change it back and the tests pass, I'll be happy to aprove.
Apologies for my oversight

[GuiMacielPereira]

All good, thanks for changing the equality back!