Description of work

Summary of work

Added support so the Custom File provided to Engineering Diffraction Calibration can be an xml, such as those output by SaveDetectorsGrouping

Fixes #38863 .
Also fixes a bug I found in testing new implementation #38879

Further detail of work

Changed it so the interface now accepts xml files of the grouping. Additionally changed both the user facing and internal reference to this from CalFile (or variations upon this) to GroupingFile and in the UI Crop Calibration to Set Calibration Region of Interest, these provide more accurate names to actual functionality and should make the interface more intuitive to use.
Changed the naming suffix for custom file example_group.xml from _Custom to _Custom_example_group so they don't get overwritten when custom grouping is changed (also more clear to the user what grouping is being used).
Finally changed it so the vanadium normalisation is always rerun for GROUP.CUSTOM and GROUP.CROPPED which fixes the bug #38879

To test:

Open the Engineering Diffraction Interface

Select Create New Calibration

Set the sample as 305738

Select Set Calibration Region of Interest

Set Region of Interest to Custom Grouping File in the drop down

Try setting a custom grouping in xml format (code to create one provided below)

Calibration should be successful

Try using calibration to focus on the next tab

If you use the customs below should get: 2 spectra for "bank", 10 for "module", and 90 for "block"

(Bank should give identical results to Test 1 in the manual testing: https://developer.mantidproject.org/Testing/EngineeringDiffraction/EngineeringDiffractionTestGuide.html)

from mantid.simpleapi import *

def get_detector_grouping_string(ws, group_by):
    info = ws.componentInfo()
    detinfo = ws.detectorInfo()
    dets = detinfo.detectorIDs()
    instr_dets = info.detectorsInSubtree(info.root())

    def get_det_id(comp_ind, dets, instr_dets):
        return dets[np.where(instr_dets == comp_ind)][0]

    nbi = info.indexOfAny("NorthBank")
    sbi = info.indexOfAny("SouthBank")


    nbmi = info.children(nbi)
    sbmi = info.children(sbi)

    nbmbi = [xx for x in [info.children(int(nbm)) for nbm in nbmi] for xx in x]
    sbmbi = [xx for x in [info.children(int(sbm)) for sbm in sbmi] for xx in x]
    if group_by == "bank":
        n_dets = "+".join([str(get_det_id(x, dets, instr_dets)) for x in info.detectorsInSubtree(nbi)])
        s_dets = "+".join([str(get_det_id(x, dets, instr_dets)) for x in info.detectorsInSubtree(sbi)])
        print([d for d in n_dets.split("+") if det_is_monitor(d, detinfo)])
        print([d for d in s_dets.split("+") if det_is_monitor(d, detinfo)])
        return ",".join([n_dets, s_dets])
    if group_by == "module":
        n_mods = ",".join(
            ["+".join([str(get_det_id(x, dets, instr_dets)) for x in info.detectorsInSubtree(int(nbm))]) for nbm in
             nbmi])
        s_mods = ",".join(
            ["+".join([str(get_det_id(x, dets, instr_dets)) for x in info.detectorsInSubtree(int(sbm))]) for sbm in
             sbmi])
        return ",".join([n_mods, s_mods])
    if group_by == "block":
        n_blocks = ",".join(
            ["+".join([str(get_det_id(x, dets, instr_dets)) for x in info.detectorsInSubtree(int(nbm))]) for nbm in
             nbmbi])
        s_blocks = ",".join(
            ["+".join([str(get_det_id(x, dets, instr_dets)) for x in info.detectorsInSubtree(int(sbm))]) for sbm in
             sbmbi])
        return ",".join([n_blocks, s_blocks])
        
ws = LoadNexus(r"C:\Users\kcd17618\Downloads\ENGINX00218189.nxs") #put any enginx run here

group_type = "module" #bank/module/block should all make different custom groupings

CreateGroupingWorkspace(ws,OutputWorkspace ="group_ws", 
                        CustomGroupingString=get_detector_grouping_string(ws, "module"), 
                        ComponentName = "ENGIN-X")
                        
SaveDetectorsGrouping("group_ws", f"custom_{group_type}.xml")

You can also run through the reproduction instructions here: #38879 and check that the bug is no longer there.

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