Ticket #9160 (closed: fixed)
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: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
Note: See
TracTickets for help on using
tickets.
Refs #9160 use types from ReducedCell
Changeset: c0dc3b8be80ff9b8357a823759d4d20cfe154dd9