Ticket #8044 (closed: fixed)
ConvertToMD should not need a goniometer if UB matrix is specified on a workspace
Reported by: | Alex Buts | Owned by: | Alex Buts |
---|---|---|---|
Priority: | major | Milestone: | Release 3.0 |
Component: | Diffraction | Keywords: | |
Cc: | saviciat@… | Blocked By: | |
Blocking: | Tester: |
Description
this is requested by Diffraction peoples
Currently it does not allow to run if no goniometer is defined. Diffraction peoples say that UB matrix is all what they need.
Goniometer in this case should be set to 0 angle (unit matrix)
Change History
comment:2 Changed 7 years ago by Alex Buts
- Status changed from inprogress to verify
- Resolution set to fixed
Trivial ticket implemented on the diffraction people request. The script below should fail on old Mantid but just print warning on the new one.
Very careful tester can try ConvertToDiffractionMDWorkspace v2 (recent version) against V1 (old version) where v2 should fail for old version of Mantid and run after this ticket. V1 would run in all versions.
WS_Name='CNCS_7860_event.nxs' Load(Filename=WS_Name,OutputWorkspace=WS_Name) # this workspace has been obtained from an inelastic experiment with input energy Ei = 3. # Usually this energy is stored in workspace # but if it is not, we have to provide it for inelastic conversion to work. AddSampleLog(Workspace=WS_Name,LogName='Ei',LogText='3',LogType='Number') SetUB(Workspace=WS_Name,a='1.4165',b='1.4165',c='1.4165',u='1,0,0',v='0,1,0') # rotated by proper number of degrees around axis Y #AddSampleLog(Workspace=SourceWS,LogName='Psi',LogText=str(i),LogType='Number Series') #SetGoniometer(Workspace=SourceWS,Axis0='Psi,0,1,0,1') # ws emulation, end --------------------------------------------------------------------------------------- ConvertToMD(InputWorkspace=WS_Name,OutputWorkspace="TestMD",QDimensions='Q3D',Q3DFrames='HKL', OverwriteExisting=0, dEAnalysisMode='Direct',MinValues='-3,-3,-3,-1',MaxValues='3,3,3,3', SplitInto="20,20,1,1")
comment:5 Changed 7 years ago by Owen Arnold
- Status changed from verify to closed
Merge remote-tracking branch 'origin/feature/8044_noGoniometer'
Full changeset: 1651ef77e9f37788213601786ce50f40ded93223
refs #8044 this should fix it
Changeset: f08187359c4caec4d4240156e55cacc8bdcb230d