Ticket #3580 (closed: fixed)

Opened 9 years ago

Last modified 5 years ago

Add algorithm to index the peaks in a peaks workspace using the UB matrix stored in the sample field of the workspace.

Reported by: Dennis Mikkelson Owned by: Dennis Mikkelson
Priority: major Milestone: Iteration 30
Component: Mantid Keywords:
Cc: Blocked By:
Blocking: Tester: Janik Zikovsky

Description

After determining or modifying the stored UB matrix, the peaks in the peaks workspace need to be indexed.

Change History

comment:1 Changed 9 years ago by Dennis Mikkelson

  • Status changed from new to accepted

comment:2 Changed 9 years ago by Dennis Mikkelson

In [14065]:

Added low-level method IndexingUtils::CalculateMillerIndices()
that will calculate Miller indices for each specified Q
vector. If the indices are not within the specified tolerance
of integer values, then (h,k,l) is set to (0,0,0).
refs #3580

comment:3 Changed 9 years ago by Dennis Mikkelson

In [14085]:

Added algorithm to index the peaks in a peaks workspace
using the UB matrix stored in the sample field of the
peaks workspace.
refs #3580

comment:4 Changed 9 years ago by Dennis Mikkelson

In [14156]:

Added method to do a fairly thorough "sanity check" on the UB
matrix to IndexingUtils::CheckUB(). Add code to use CheckUB()
to the FindUB_* and IndexPeaks algorithms, and to the low-level
IndexingUtils code that does most of the work.
Fixed seg fault found by Owen.
refs #3577 #3578 #3579 #3580

comment:5 Changed 9 years ago by Dennis Mikkelson

In [14247]:

Minor improvement in information given to the user
via logging notice.
refs #3580

comment:6 Changed 9 years ago by Dennis Mikkelson

In [14255]:

Added test for IndexPeaks algorithm.
refs #3580

comment:7 Changed 9 years ago by Dennis Mikkelson

In [14267]:

Cleaned up documentation messages and made wiki docs.
refs #3577 #3578 #3579 #3580

comment:8 Changed 9 years ago by Dennis Mikkelson

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

comment:9 Changed 9 years ago by Janik Zikovsky

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

comment:10 Changed 9 years ago by Janik Zikovsky

  • Status changed from verifying to closed

Used in Diffraction_Workflow.py

comment:11 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue 4427

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