Ticket #3489 (closed: fixed)

Opened 9 years ago

Last modified 5 years ago

PeakWS + B-Matrix to UB-Matrix

Reported by: Owen Arnold Owned by: Andrei Savici
Priority: major Milestone: Iteration 30
Component: Mantid Keywords:
Cc: nick.draper@… Blocked By:
Blocking: Tester: Janik Zikovsky

Description

We need to be able to perform the 'Determine UB Matrix' step in the Single Crystal Workflow:

​https://svn.mantidproject.org/mantid/trunk/Documents/Design/VATES/Single crystal user workflow.docx

An algorithm is needed for this taking a PeaksWS and a B-Matrix and running some underlying optimisations to produce a UB-Matrix.

Change History

comment:1 Changed 9 years ago by Owen Arnold

Should also take a MatrixWS and append the results onto the Sample Information.

comment:2 Changed 9 years ago by Andrei Savici

  • Status changed from new to accepted

Will calculate U matrix on the peak workspace, then use algorithm described in ticket #3484 in order to add to a matrix workspace

comment:3 Changed 9 years ago by Janik Zikovsky

In [13830]:

Refs #3489: LoadIsawUB into any workspace that supports samples.

comment:4 Changed 9 years ago by Janik Zikovsky

In [13831]:

Refs #3489: Reverted changes

comment:5 Changed 9 years ago by Andrei Savici

In [13832]:

Algorithm to calculate U matrix from a peaks workspace. Still need to add a wikipage. Refs #3489

comment:6 Changed 9 years ago by Andrei Savici

In [13864]:

Simplified code, to be easier to follow. Refs #3489

comment:7 Changed 9 years ago by Andrei Savici

In [13869]:

Change variable name, to correspond to wiki. Refs #3489

comment:8 Changed 9 years ago by Andrei Savici

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

comment:9 Changed 9 years ago by Mathieu Doucet

  • Status changed from verify to reopened
  • Resolution fixed deleted

Warnings were left behind

comment:10 Changed 9 years ago by Mathieu Doucet

In [13890]:

Fix warning Re #3489

comment:11 Changed 9 years ago by Andrei Savici

In [13891]:

One more task fixed. Refs #3489

comment:12 Changed 9 years ago by Andrei Savici

In [13893]:

Make LoadIsawUB accept any workspace that has ExperimentInfo. Refs #3489

comment:13 Changed 9 years ago by Andrei Savici

In [13894]:

Refs #3489

comment:14 Changed 9 years ago by Andrei Savici

  • Status changed from reopened to accepted

comment:15 Changed 9 years ago by Andrei Savici

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

comment:16 Changed 9 years ago by Janik Zikovsky

  • Status changed from verify to verifying
  • Tester set to Janik Zikovsky

comment:17 Changed 9 years ago by Janik Zikovsky

  • Status changed from verifying to closed

Algorithm works if the input peaksWS has indexed peaks. Compared with FindUB* algorithms. Suggest changing the name to match the 3 FindUB* algos, e.g. FindUBUsingIndexAndLattice ?

comment:18 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue ​4336

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