Ticket #9160 (closed: fixed)

Opened 7 years ago

Last modified 5 years ago

OptimizeLatticeForCellType should have cell types as SelectCellOfType

Reported by: Vickie Lynch Owned by: Vickie Lynch
Priority: major Milestone: Release 3.2
Component: Framework Keywords:
Cc: Blocked By:
Blocking: Tester: Peter Peterson

Description

Here is a problem found by TOPAZ user:

There is a problem for unit cell transformation to Monoclinic when running the attached Mantid python script from a terminal window (See error message below). The SelectCellOfType algorithm works, but the script fails at Line 140 OptimizeLatticeForCellType(PeaksWorkspace=peaks_ws, CellType=cell_type,Apply='1')

I run the algorithm in mantidplotnightly and found that the cell_type needs to be 'Monoclinic ( b unique )'for OptimizeLatticeForCellType, which is the default setting for a Monoclinic cell. The default setting used in SelectCellOfType is quoted as 'Monoclinic' without '( b unique )'.

Change History

comment:1 Changed 7 years ago by Vickie Lynch

Refs #9160 use types from ReducedCell

Changeset: c0dc3b8be80ff9b8357a823759d4d20cfe154dd9

comment:2 Changed 7 years ago by Vickie Lynch

  • Status changed from new to assigned

comment:3 Changed 7 years ago by Vickie Lynch

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

To test:

LoadIsawPeaks(Filename='TOPAZ_3007.peaks',OutputWorkspace='TOPAZ_3007_peaks')
LoadIsawUB(InputWorkspace='TOPAZ_3007_peaks',Filename='TOPAZ_3007.mat')
SelectCellOfType(PeaksWorkspace='TOPAZ_3007_peaks',CellType='Monoclinic')
OptimizeLatticeForCellType(PeaksWorkspace='TOPAZ_3007_peaks',CellType='Monoclinic',Apply='1')

comment:4 Changed 7 years ago by Peter Peterson

  • Status changed from verify to verifying
  • Tester set to Peter Peterson

comment:5 Changed 7 years ago by Peter Peterson

  • Status changed from verifying to closed

Merge remote branch 'origin/feature/9160_OptimizeLatticeForCellType_cell_types'

Full changeset: c0b2633478dcd6c5317b00c8f1dc8f3b762157ac

comment:6 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue 10003

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