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Ticket #8760 (closed: fixed)

Opened 7 years ago

Last modified 5 years ago

Implement Calibrate for Engin-X

Reported by:	Peter Parker	Owned by:	Martyn Gigg
Priority:	major	Milestone:	Release 3.2
Component:	Diffraction	Keywords:
Cc:		Blocked By:
Blocking:	#8368	Tester:	Samuel Jackson

Description

To start supporting Engin-X in Mantid we need to convert some existing OpenGENIE routines. As per #8368, we will start with "Calibrate".

Change History

comment:1 Changed 7 years ago by Peter Parker

Blocking 8368 added

comment:2 Changed 7 years ago by Peter Parker

Status changed from new to inprogress

comment:3 Changed 7 years ago by Peter Parker

Milestone changed from Backlog to Release 3.2

comment:4 Changed 7 years ago by Peter Parker

Owner changed from Peter Parker to Arturs Bekasovs

comment:5 Changed 6 years ago by Arturs Bekasovs

Refs #8760. Make the LoadDetGroupingFile out. ws type more generic

This has to be done so that the algorithm is usable from Python. This will probably be reverted when Python bingings are improved for various workspace types.

The unit test was updated as well.

Changeset: e268e28ddca8fc9e88d7f12ac65880a1ccd01317

comment:6 Changed 6 years ago by Arturs Bekasovs

Refs #8760. A quick fix for the failing unit test

This should be fixed properly in separate ticket.

Changeset: 1088f96bd41095528df67b372b1f219d40d236e8

comment:7 Changed 6 years ago by Arturs Bekasovs

Refs #8760. Initial versions of algorithms for EnginX calibration

Changeset: beea211cde96063cb7cd3bfaa2be45dc6d2204ab

comment:8 Changed 6 years ago by Arturs Bekasovs

Refs #8760. Add some documentation

Changeset: dd1fa62190af172ec9f44693526fc506f37d7b0c

comment:9 Changed 6 years ago by Arturs Bekasovs

Refs #8760. Usage example for fit peaks.

Changeset: 5d0ea6572c5faf432dd84ca7e9bd2412282108e3

comment:10 Changed 6 years ago by Arturs Bekasovs

Refs #8760. Usage example for focussing routine

Changeset: 5fdb1e88043c4dfed8706d28173b2c5cce37dc0a

comment:11 Changed 6 years ago by Arturs Bekasovs

Refs #8760. A simple system test which uses all the algorithms

Changeset: 1477d27d7cafc3eed0d69362c6fe8111b00b28fd

comment:12 Changed 6 years ago by Arturs Bekasovs

Deleted

Last edited 6 years ago by Arturs Bekasovs (previous) (diff)

comment:13 Changed 6 years ago by Arturs Bekasovs

Deleted

Last edited 6 years ago by Arturs Bekasovs (previous) (diff)

comment:14 Changed 6 years ago by Arturs Bekasovs

Refs #8760. Fix the property name

Changeset: f38614e5c0f72cb25fdfa39db1c70d40b5f5ee31

comment:15 Changed 6 years ago by Arturs Bekasovs

The branch had to be re-published and re-merged to develop to remove and accidental merge.

comment:16 Changed 6 years ago by Arturs Bekasovs

Tester:

This is a first pass at converting OpenGenie calibration routines to Mantid Python scripts for Engin-X guys. It is not very clear how they should look like in the end, so it's definitely work in progress and should be treated a such. I want to get it to the release, so that the scientist have something to play with and say what our next steps should be.

Verify that added algorithms have documentation, the code is commented, the usage examples work and the new system test is passing. The algorithms should be categorized properly.

Make sure both system test Data directory and usage example data directory are in your user directories. Then run the following:

focussed = EnginXFocus("ENGINX00213855.nxs", 
                       Bank = 1)

This focuses a run without doing any calibration.

Now run this:

positions = EnginXCalibrateFull("ENGINX00193749.nxs", 
                                ExpectedPeaks=[1.3529, 1.6316, 1.9132], 
                                Bank=1)

This might take about a minute or so, as all the bank pixels are calibrated individually, and there are 1200 of them.

Now lets focus the run with calibration applied:

focussed_calibrated = EnginXFocus("ENGINX00213855.nxs", 
                                  Bank=1, 
                                  DetectorPositions="positions")

Check that focussed and focussed_calibrated are actually different.

Now let's do a per-bank calibration:

(difc, zero) = EnginXCalibrate("ENGINX00193749.nxs", 
                               ExpectedPeaks = [2.7057,1.9132,1.6316,1.5621,1.3528,0.9566],
                               DetectorPositions = "positions",
                               Bank = 1)
print difc, zero