Convert empty to tof

[Ricardo Leal]

At the ILL the data must be loaded in raw format (no units used). The X-axis represent the time channel number. The unit "Empty" will be used.

This algorithm converts thus the channel number to time of flight using:

• Spectrum or list of spectra indices to look for the elastic peak. They must be at the same distance from the sample.
• Elastic peak boundaries - The boundaries, or indices, where the algorithm should look for the elastic peak inside the selected spectra.

I looked into adding this as a new Unit and using convert units for converting channel to TOF, but additional arguments needed to find the elastic peak make this not suitable for the convertUnits algorithm...

[Ricardo Ferraz Leal]

Re #9390 Initial files for the algorithm.

Changeset: bfbedd21df95d42c077bc2189b832dd31fd58955

[Ricardo Ferraz Leal]

Re #9390 Initial fitting. Needs testing.

Changeset: 6f3b9e2069bfe5c89b4d308adad254804d2f2378

[Ricardo Ferraz Leal]

Re #9390 Spectra peak fit and EPP finding works.

Changeset: 1c62387c1353e6fc1bf36464831035b716f266e9

[Ricardo Ferraz Leal]

Re #9390 X Axis calculation OK.

Changeset: 8b3dc7be207440831971bab4f95f6959909888fb

[Ricardo Ferraz Leal]

Re #9390 Algo works finding 1 spectrum epp. Todo: >1

Changeset: 3639001dd1d17e5ed5b401f03fb3846874221b7c

[Ricardo Ferraz Leal]

Re #9390 Added test with 2 spectra at the same distance

Changeset: d301cb29ffec7ca0cc96ac9c8b369a75abd36a26

[Ricardo Ferraz Leal]

Re #9390 Fix OpenMP index signed integral type and doxygen warning.

Changeset: fd64d61669cd0e121f6499a94016453b9034572d

[Ricardo Leal]

Testing

So far there's no way to test this with real data... I would suggest to have a look at the test and at the procedure below (see also the comments!).

# Load some data from IN16B. This is just simulated data. These instrument is not running yet.
Load(Filename=r'/home/leal/git/mantid/Test/AutoTestData/ILLIN16B_034745.nxs',OutputWorkspace='ILLIN16B_034745')

# Since this algorithm won't be used by IN16B the property "channel_width" doesn't exist.
# Let's add it
ws = mtd['ILLIN16B_034745']
r = ws.getRun()
r.addProperty("channel_width", 10, True)

# Find the elastic peak in spectra index 309 using channell between '700-900'. 
# Ploting this spectra 
ConvertEmptyToTof(InputWorkspace='ILLIN16B_034745',OutputWorkspace='test',ListOfSpectraIndices='309',ListOfChannelIndices='700-900')

# The results are not correct (because we don't have right distances in the IDF) but the important here is to see that ConvertUnits work.
ConvertUnits(InputWorkspace='test',OutputWorkspace='DE',Target='DeltaE',EMode='Direct',EFixed='2.08')

[Yannick Raoul]

Re #9390 Convert small arrays to float properties

Changeset: 5fe9c230b47485f9445d25047371453856241c7a

[Ricardo Ferraz Leal]

Re #9390 Validate spectra and channel inputs.

Changeset: 087df676f1bc958b512f1b028da65edffc05258b

[Ricardo Ferraz Leal]

Re #9390 Correct vector boundaries in the test.

Changeset: a61def696c8b40e7b8d14dff0fd9964d3e5f5343

[Ricardo Leal]

See testing above.

[Russell Taylor]

The macro says that the branch is not fully merged to develop, so it needs another 'checkbuild'. Also, there are some formatting issues that don't match the Mantid coding standards - use of tab indentation instead of (2) spaces, alignment of long function signatures, curly brackets on the end of a line instead of a line of their own. There are also a few lines of commented-out code that should be deleted.

[Russell Taylor]

The comments above need to be addressed.

[Ricardo Leal]

I have been away. Thanks for the comments. I will address them asap.

[Ricardo Ferraz Leal]

Re #9390 Corrected formatting issues.

Changeset: a042b7610eeefd6db628c45969a5cf7fcf71d98b

[Ricardo Leal]

I'm using Stroustrup code style (based on Kernighan and Ritchie's).

I have addressed the majority of the issues.

Sorry, don't like the curly brackets starting on an empty line. It's optional according to the Mantid coding standards. If you really think it's needed I'll do it.

[Russell Taylor]

So it does. Well, I'll resist the temptation to edit the wiki so it's mandatory :) It's the tabs I really don't like because of how they render differently in different places.

[Ricardo Ferraz Leal]

Re #9390 Added ElasticPeakPosition ElasticPeakPositionSpectrum fields.

Changeset: 0ad3eb9b2a51dabe53ef16b0d8f13c0e853e131e

[Ricardo Ferraz Leal]

Re #9390 Fix old doc format.

Changeset: 30d5d87268671534786d9fb9deba22c80a3d8395

[Ricardo Ferraz Leal]

Re #9390 Fix double from int convertion warning.

Changeset: eb1b6413268bf1954a0f8bfd7b5ca45dfaa5d064

[Ricardo Ferraz Leal]

Re #9390 New doc format.

Changeset: 053ee74cca71cdf1f8be06814b97419971692520

[Ricardo Leal]

Testing

So far there's no way to test this with real data... I would suggest to have a look at the test and at the procedure below (see also the comments!).

# Load some data from IN16B. This is just simulated data. These instrument is not running yet.
Load(Filename=r'/home/leal/git/mantid/Test/AutoTestData/ILLIN16B_034745.nxs',OutputWorkspace='ILLIN16B_034745')

# Since this algorithm won't be used by IN16B the property "channel_width" doesn't exist.
# Let's add it
ws = mtd['ILLIN16B_034745']
r = ws.getRun()
r.addProperty("channel_width", 10, True)

# Find the elastic peak in spectra index 309 using channell between '700-900'. 
# Ploting this spectra 
ConvertEmptyToTof(InputWorkspace='ILLIN16B_034745',OutputWorkspace='test',ListOfSpectraIndices='309',ListOfChannelIndices='700-900')

### Or, use some fixed position (no peak search and fitting required):
# ConvertEmptyToTof(InputWorkspace='ILLIN16B_034745',OutputWorkspace='test',ElasticPeakPosition='800', ElasticPeakPositionSpectrum='309')


# The results are not correct (because we don't have right distances in the IDF) but the important here is to see that ConvertUnits work.
ConvertUnits(InputWorkspace='test',OutputWorkspace='DE',Target='DeltaE',EMode='Direct',EFixed='2.08')

[Ricardo Ferraz Leal]

Merge branch 'feature/9390_convert_empty_to_tof' of github.com:mantidproject/mantid into feature/9390_convert_empty_to_tof

Full changeset: ​b8525487ee30584a7f619e8ac9b0daab3e177466

[Yannick Raoul]

Merge branch 'feature/9390_convert_empty_to_tof' of github.com:mantidproject/mantid into feature/9390_convert_empty_to_tof

Full changeset: ​a39400845cf48b6e6df6015a07824a78e71592b2

[Ricardo Ferraz Leal]

Merge branch 'feature/9390_convert_empty_to_tof' of github.com:mantidproject/mantid into feature/9390_convert_empty_to_tof

Full changeset: ​1eaa8e03c848e6c17aa2671ddfeacd44f5061337

[Russell Taylor]

Merge remote branch 'origin/feature/9390_convert_empty_to_tof'

Full changeset: ​cb358f09d80a580faa62876a014166cd778870dc

[Stuart Campbell]

This ticket has been transferred to github issue ​10233