Ticket #3577 (closed: fixed)

Opened 9 years ago

Last modified 5 years ago

Add algorithm to calculate UB given lattice parameters and Q vectors for peaks

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

Description

An algorithm wrapper is need around the low-level static method, IndexingUtils::Find_UB() given lattice parameters and Q vectors.

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 [14083]:

Algorithm that wraps low-level method to index peaks
give Q-vectors and lattice parameters.
refs #3577

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 Mathieu Doucet

In [14106]:

Fix warnings Re #3577

comment:5 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 [14166]:

Fix minor error in comment.
refs #3577

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 [14222]:

Adding test for FindUBUsingIndexedPeaks.
refs #3577

comment:7 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 [14246]:

Added test for FindUBUsingLatticeParameters algorithm.
refs #3577

comment:9 Changed 9 years ago by Dennis Mikkelson

In [14248]:

Added tests for algorithms to CMakeLists
Minor code reformatting.
refs #3577 #3578

comment:11 Changed 9 years ago by Dennis Mikkelson

In [14267]:

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

comment:12 Changed 9 years ago by Dennis Mikkelson

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

comment:13 Changed 9 years ago by Janik Zikovsky

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

comment:14 Changed 9 years ago by Janik Zikovsky

I've used this successfully, e.g. in the Diffraction_Workflow script

comment:15 Changed 9 years ago by Janik Zikovsky

  • Status changed from verifying to closed

comment:16 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue 4424

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