Ticket #5016 (closed: fixed)

Opened 9 years ago

Last modified 5 years ago

Reflectometry Q Conversion

Reported by: Owen Arnold Owned by: Owen Arnold
Priority: major Milestone: Release 2.2
Component: Mantid Keywords:
Cc: Blocked By:
Blocking: #5452, #5457, #5458 Tester: Anders Markvardsen

Description

Tim wants to generate MD workspaces with outputs of qx, qz. The algorithms rely on being able to properly distinguish between Theta input and Theta output. Qy is ignored.

Attachments

NiLineGratingExampleForMantid.pdf​ (2.2 MB) - added by Owen Arnold 9 years ago.
Polref00006017_qxqz.pdf​ (69.2 KB) - added by Owen Arnold 8 years ago.
Polref00006017_kikf.pdf​ (28.6 KB) - added by Owen Arnold 8 years ago.
Polref00006017_pipf.pdf​ (41.2 KB) - added by Owen Arnold 8 years ago.
POLREF6017MDConversionsInMantid.pdf​ (238.0 KB) - added by Owen Arnold 8 years ago.
ConvertToReflectometryQ outputs
6017Reduction.py​ (2.1 KB) - added by Owen Arnold 8 years ago.

Change History

Changed 9 years ago by Owen Arnold

comment:1 Changed 9 years ago by Owen Arnold

refs #5016. Code skeleton

Changeset: a2076a42b9b7d3c1a7b55627c48c8815484c1e51

comment:2 Changed 9 years ago by Owen Arnold

refs #5016. Move it location and some other improvements

Changeset: b885affb6c3d34405f05889d379b21ae9ab8fb2e

comment:3 Changed 9 years ago by Owen Arnold

refs #5016. Characterise current behaviour.

Pause while we consider whether its possible or better to implement this algorithm in terms of others.

Changeset: 8aa1b08c0b385aff4990e8611e311fe2ef8400c9

comment:4 Changed 9 years ago by Owen Arnold

refs #5016. Fix error on mac.

Changeset: 849122ee1a5009866521ea5a9611feca14fe5bf0

comment:5 Changed 8 years ago by Nick Draper

  • Milestone changed from Release 2.1 to Release 2.2

Moved at end of release 2.1

comment:6 Changed 8 years ago by Owen Arnold

refs #5016. A different approach

Changeset: 4f1972b5d24dccfc286d20634b3af60a802c7f2d

comment:7 Changed 8 years ago by Owen Arnold

refs #5016. Done via MDEvent route. Appears to work.

Changeset: 6f129abba6859a77ceefecdcc2263d2354359f95

comment:8 Changed 8 years ago by Owen Arnold

refs #5016. Additional tests.

Changeset: 2f9d00103bb819a2fdd31d8ec4ba5c4d02b0e302

comment:9 Changed 8 years ago by Owen Arnold

refs #5016. Fix macro usage.

Changeset: 96ce2b095eeb1ed4d729233c63606009c702373e

comment:10 Changed 8 years ago by Owen Arnold

refs #5016. Fix gcc warnings.

Changeset: 19a02ac12d11f11f5fec31a2f9c2be4cc55e34ab

comment:11 Changed 8 years ago by Owen Arnold

refs #5016. Extract existing transformation to class.

Changeset: 3491e15a569e68159cf05367b2fa3f81a1cc2605

comment:12 Changed 8 years ago by Owen Arnold

refs #5016. Extract existing transformation to interface.

Changeset: 2c1a7f10a0870463c6748754fd484253387a1f0b

comment:13 Changed 8 years ago by Owen Arnold

refs #5016. Use interface and switch object creation on alg property.

Changeset: 51a0bfce4328cd1bbfb21d923e50b73b1bc7f384

comment:14 Changed 8 years ago by Owen Arnold

refs #5016. Make TransformQxQy testable.

Changeset: 8bc5b71034683f801755f6e7e854bef47b31137f

comment:15 Changed 8 years ago by Owen Arnold

refs #5016. Fix class names.

Changeset: 1f68967589fc6c54106010096691f33361aa25cf

comment:16 Changed 8 years ago by Owen Arnold

refs #5016. Fix gcc scoped_ptr usage.

Changeset: 0063930d75c3a2e7a2168b3fb034bf44d9f68ae5

comment:17 Changed 8 years ago by Owen Arnold

refs #5016. A different approach

Changeset: 4f1972b5d24dccfc286d20634b3af60a802c7f2d

comment:18 Changed 8 years ago by Owen Arnold

refs #5016. Done via MDEvent route. Appears to work.

Changeset: 6f129abba6859a77ceefecdcc2263d2354359f95

comment:19 Changed 8 years ago by Owen Arnold

refs #5016. Additional tests.

Changeset: 2f9d00103bb819a2fdd31d8ec4ba5c4d02b0e302

comment:20 Changed 8 years ago by Owen Arnold

refs #5016. Fix macro usage.

Changeset: 96ce2b095eeb1ed4d729233c63606009c702373e

comment:21 Changed 8 years ago by Owen Arnold

refs #5016. Fix gcc warnings.

Changeset: 19a02ac12d11f11f5fec31a2f9c2be4cc55e34ab

comment:22 Changed 8 years ago by Owen Arnold

refs #5016. Extract existing transformation to class.

Changeset: 3491e15a569e68159cf05367b2fa3f81a1cc2605

comment:23 Changed 8 years ago by Owen Arnold

refs #5016. Extract existing transformation to interface.

Changeset: 2c1a7f10a0870463c6748754fd484253387a1f0b

comment:24 Changed 8 years ago by Owen Arnold

refs #5016. Use interface and switch object creation on alg property.

Changeset: 51a0bfce4328cd1bbfb21d923e50b73b1bc7f384

comment:25 Changed 8 years ago by Owen Arnold

refs #5016. Make TransformQxQy testable.

Changeset: 8bc5b71034683f801755f6e7e854bef47b31137f

comment:26 Changed 8 years ago by Owen Arnold

refs #5016. Fix class names.

Changeset: 1f68967589fc6c54106010096691f33361aa25cf

comment:27 Changed 8 years ago by Owen Arnold

refs #5016. Fix gcc scoped_ptr usage.

Changeset: 0063930d75c3a2e7a2168b3fb034bf44d9f68ae5

comment:28 Changed 8 years ago by Owen Arnold

refs #5016. Additional test.

Changeset: 15e9cc89ab60e426e8887534e54c9a13f9856649

comment:29 Changed 8 years ago by Owen Arnold

refs #5016. Fix input angles.

Changeset: 28d55f4ce2502c19d08eaf52694270207c1fc89d

comment:30 Changed 8 years ago by Owen Arnold

refs #5016. Fix input theta final calc.

Changeset: e9d934cf5a9e97a9adbe9becb07d68718ee173db

comment:31 Changed 8 years ago by Owen Arnold

refs #5016. A different approach

Changeset: 4f1972b5d24dccfc286d20634b3af60a802c7f2d

comment:32 Changed 8 years ago by Owen Arnold

refs #5016. Done via MDEvent route. Appears to work.

Changeset: 6f129abba6859a77ceefecdcc2263d2354359f95

comment:33 Changed 8 years ago by Owen Arnold

refs #5016. Additional tests.

Changeset: 2f9d00103bb819a2fdd31d8ec4ba5c4d02b0e302

comment:34 Changed 8 years ago by Owen Arnold

refs #5016. Fix macro usage.

Changeset: 96ce2b095eeb1ed4d729233c63606009c702373e

comment:35 Changed 8 years ago by Owen Arnold

refs #5016. Fix gcc warnings.

Changeset: 19a02ac12d11f11f5fec31a2f9c2be4cc55e34ab

comment:36 Changed 8 years ago by Owen Arnold

refs #5016. Extract existing transformation to class.

Changeset: 3491e15a569e68159cf05367b2fa3f81a1cc2605

comment:37 Changed 8 years ago by Owen Arnold

refs #5016. Extract existing transformation to interface.

Changeset: 2c1a7f10a0870463c6748754fd484253387a1f0b

comment:38 Changed 8 years ago by Owen Arnold

refs #5016. Use interface and switch object creation on alg property.

Changeset: 51a0bfce4328cd1bbfb21d923e50b73b1bc7f384

comment:39 Changed 8 years ago by Owen Arnold

refs #5016. Make TransformQxQy testable.

Changeset: 8bc5b71034683f801755f6e7e854bef47b31137f

comment:40 Changed 8 years ago by Owen Arnold

refs #5016. Fix class names.

Changeset: 1f68967589fc6c54106010096691f33361aa25cf

comment:41 Changed 8 years ago by Owen Arnold

refs #5016. Fix gcc scoped_ptr usage.

Changeset: 0063930d75c3a2e7a2168b3fb034bf44d9f68ae5

comment:42 Changed 8 years ago by Owen Arnold

refs #5016. Additional test.

Changeset: 15e9cc89ab60e426e8887534e54c9a13f9856649

comment:43 Changed 8 years ago by Owen Arnold

refs #5016. Fix input angles.

Changeset: 28d55f4ce2502c19d08eaf52694270207c1fc89d

comment:44 Changed 8 years ago by Owen Arnold

refs #5016. Fix input theta final calc.

Changeset: e9d934cf5a9e97a9adbe9becb07d68718ee173db

comment:45 Changed 8 years ago by Owen Arnold

refs #5016. Extract and test q calculations

Changeset: bd499122d1a58b07c99a29453964c823cc791337

comment:46 Changed 8 years ago by Owen Arnold

refs #5016. Extract and test q calculations

Changeset: bd499122d1a58b07c99a29453964c823cc791337

comment:47 Changed 8 years ago by Owen Arnold

refs #5016. Refactor and speed up.

No need to convert to an EventWorkspace first.

Changeset: d3adfd494e44558c6516a78f3c27172db3f05ff4

comment:48 Changed 8 years ago by Owen Arnold

  • Blocking 5452 added

comment:49 Changed 8 years ago by Owen Arnold

refs #5452 #5016. Better wavelength calculation.

Changeset: 0bd0b9c644cfdef5744576f2f542a516923ae2d7

comment:50 Changed 8 years ago by Owen Arnold

refs #5452 #5016. Add validator now that calculation has changed.

Changeset: e838869a22f53ec21d924f52fc5598c9713c0810

comment:51 Changed 8 years ago by Owen Arnold

  • Status changed from new to accepted

comment:52 Changed 8 years ago by Owen Arnold

  • Status changed from accepted to verify
  • Resolution set to fixed

Tester:

There's not much point looking through each commit as there are a lot of them, although you might want to look at the unit tests for these transformations and the algorithm in general.

I've verified with Tim Charlton that the outputs are correct. To satisfy yourself that this is also the case. I'm going to attach.

  • Expected colour map outputs of each transformation in the old matlab code
  • SliceViewer outputs I obtained for the same dataset using the new ConvertToReflectometryQ
  • The script I used to generate the outputs

Changed 8 years ago by Owen Arnold

Changed 8 years ago by Owen Arnold

Changed 8 years ago by Owen Arnold

Changed 8 years ago by Owen Arnold

ConvertToReflectometryQ outputs

Changed 8 years ago by Owen Arnold

comment:53 Changed 8 years ago by Owen Arnold

Tester: Also note that you need only worry about the Qz,Qz transformations for this ticket, the ki,kf, and pi,pf are handled in another ticket.

comment:54 Changed 8 years ago by Owen Arnold

  • Blocking 5457 added

comment:55 Changed 8 years ago by Owen Arnold

  • Blocking 5458 added

comment:56 Changed 8 years ago by Owen Arnold

refs #5452 #5016. Better wavelength calculation.

Changeset: 0bd0b9c644cfdef5744576f2f542a516923ae2d7

comment:57 Changed 8 years ago by Owen Arnold

refs #5452 #5016. Add validator now that calculation has changed.

Changeset: e838869a22f53ec21d924f52fc5598c9713c0810

comment:58 Changed 8 years ago by Owen Arnold

refs #5016. Additional test.

Changeset: 15e9cc89ab60e426e8887534e54c9a13f9856649

comment:59 Changed 8 years ago by Owen Arnold

refs #5016. Fix input angles.

Changeset: 28d55f4ce2502c19d08eaf52694270207c1fc89d

comment:60 Changed 8 years ago by Owen Arnold

refs #5016. Fix input theta final calc.

Changeset: e9d934cf5a9e97a9adbe9becb07d68718ee173db

comment:61 Changed 8 years ago by Owen Arnold

refs #5016. Extract and test q calculations

Changeset: bd499122d1a58b07c99a29453964c823cc791337

comment:62 Changed 8 years ago by Owen Arnold

refs #5016. Refactor and speed up.

No need to convert to an EventWorkspace first.

Changeset: d3adfd494e44558c6516a78f3c27172db3f05ff4

comment:63 Changed 8 years ago by Owen Arnold

refs #5452 #5016. Better wavelength calculation.

Changeset: 0bd0b9c644cfdef5744576f2f542a516923ae2d7

comment:64 Changed 8 years ago by Owen Arnold

refs #5452 #5016. Add validator now that calculation has changed.

Changeset: e838869a22f53ec21d924f52fc5598c9713c0810

comment:65 Changed 8 years ago by Owen Arnold

refs #5016 #5452. Wiki documentation.

Changeset: 309f4d22a8f8af5d61e4294d4c68e43d29a7305d

comment:66 Changed 8 years ago by Owen Arnold

refs #5016 #5452. Wiki documentation.

Changeset: 309f4d22a8f8af5d61e4294d4c68e43d29a7305d

comment:67 Changed 8 years ago by Owen Arnold

refs #5016 #5452. Wiki documentation.

Changeset: 309f4d22a8f8af5d61e4294d4c68e43d29a7305d

comment:68 Changed 8 years ago by Anders Markvardsen

  • Status changed from verify to verifying
  • Tester set to Anders Markvardsen

comment:69 Changed 8 years ago by Anders Markvardsen

  • Status changed from verifying to closed

Looks good. The Qx-Qz plot reveals the Qx=0 elastic scattering line.

One very minor comment. In python script rename 'QxQy' to 'QxQz'

comment:70 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue ​5862

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