Ticket #3579 (closed: fixed)

Opened 9 years ago

Last modified 5 years ago

Add algorithm to calculate UB given a list of 3 or more indexed peaks.

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

Description

An algorithm wrapper is needed around the low-level static method, IndexingUtils::Optimize_UB() given a list of indexed peaks. If at least three linearly independent peak Q_vectors and corresponding h,k,l values are known, the UB matrix that best maps the h,k,l values to the Q_vectors (i.e. gives least squares errors in Q) is determined by the Optimize_UB() method.

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 [14086]:

Added algorithm to calculate UB given at least
3 linearly independent indexed peaks in a peaks
workspace.
refs #3579

comment:3 Changed 9 years ago by Dennis Mikkelson

In [14087]:

Updating CMakeLists to build new indexing
algorithms.
refs #3577 #3578 #3579 #3589

comment:4 Changed 9 years ago by Dennis Mikkelson

In [14126]:

Added better error checking and error reporting
to FindUB algorithms.
refs #3577 #3578 #3579

comment:5 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 [14159]:

Temporarily comment out one test method, pending
proper repair, since it breaks the build now.
refs #3579

comment:6 Changed 9 years ago by Dennis Mikkelson

In [14221]:

Changed name of FindUB_* algorithms to FindUB*
at Nick's request.
refs #3577 #3578 #3579

comment:6 Changed 9 years ago by Dennis Mikkelson

In [14223]:

Updating CMakeLists to use new names FindUB*.
refs #3577 #3578 #3579

comment:7 Changed 9 years ago by Dennis Mikkelson

In [14225]:

Removing FindUB_* algorithms after adding ones
with the new name FindUB*.
refs #3577 #3578 #3579

comment:8 Changed 9 years ago by Dennis Mikkelson

In [14267]:

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

comment:9 Changed 9 years ago by Dennis Mikkelson

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

comment:10 Changed 9 years ago by Janik Zikovsky

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

comment:11 Changed 9 years ago by Janik Zikovsky

  • Status changed from verifying to closed

Tested using by manually setting 3 peaks from find peaks, same lattice found as other methods.

comment:12 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue 4426

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