[GSAS-II] BUG report

Ivo Alxneit ivo.alxneit at psi.ch
Mon Feb 22 04:35:33 CST 2021


Dear all

I just noted with regard to the first BUG reported that it is sufficient
to just remove to BG from refinement (as below) to reproduce the BUG.
After File->Copy Flags->set to all, I noted that the completed BG entry
is now missing in histograms 01 to 99.

gruss ivo

On 22.02.21 11:15, Ivo Alxneit via GSAS-II wrote:
> Dear all
> 
> I noted two BUGS in GSASII, the second when I tried to make my .gpx (100
> histogram, 3 phases) project smaller (2 histograms only) to be able to
> mail it. My configuration is printed at the top of the attached error_log.
> 
> First BUG:
> - increase the number of BG terms from 5 to seven in histogram _00 and
> then File->Copy->set to all
> - sequential refine
> - do not refine BG terms in histogram _00 and then File->Copy Flags_>set
> to all
> - sequential refine crashed with
> 
> 
> GPX load successful. Last saved with GSAS-II revision 4806
> save to file: test.gpx
> project save successful
> Traceback (most recent call last):
>   File
> "/home/alxneit/share/miniconda3/envs/gsas/GSASII/GSASIIdataGUI.py", line
> 5147, in OnRefine
>     self.OnSeqRefine(event)
>   File
> "/home/alxneit/share/miniconda3/envs/gsas/GSASII/GSASIIdataGUI.py", line
> 5328, in OnSeqRefine
>     errmsg, warnmsg = G2stIO.ReadCheckConstraints(self.GSASprojectfile)
>   File "/home/alxneit/share/miniconda3/envs/gsas/GSASII/GSASIIstrIO.py",
> line 281, in ReadCheckConstraints
>     histVary,histDict,controlDict = GetHistogramData(Histograms,Print=False)
>   File "/home/alxneit/share/miniconda3/envs/gsas/GSASII/GSASIIstrIO.py",
> line 3348, in GetHistogramData
>     Type,bakDict,bakVary = GetBackgroundParms(hId,Background)
>   File "/home/alxneit/share/miniconda3/envs/gsas/GSASII/GSASIIstrIO.py",
> line 3177, in GetBackgroundParms
>     backDict[':'+str(hId)+':Back File'] = Background[1]['background
> PWDR'][0]
> TypeError: 'bool' object is not subscriptable
> wrote file /home/alxneit/share/miniconda3/envs/gsas/GSASII/config.py
> 
> 
> 
> 
> Second BUG:
> - set histograms used to _00 and _01 only in all three phases (keep only
> first two histograms)
> - delete data entries (all histograms but first two)
> 	
> 	-> first four histograms are kept in data tree (_03 and _04 are spurious)
> 
> - sequential refine
> 
> 	-> seems to work but a lot of warnings (errors?) appear in the terminal
> window (see log file attached).
> 
> If needed for debugging I can make the original .gpx available but it is
> too large to attache here (25MB)
> 
> Thanks for the help
> gruss / ivo
> 
> 
> _______________________________________________
> GSAS-II mailing list
> GSAS-II at aps.anl.gov
> https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii
> 

-- 
Dr. Ivo Alxneit
Applied Catalysis and Spectroscopy Group
Bioenergy and Catalysis Laboratory        phone: +41 56 310 4092
Paul Scherrer Institute                     fax: +41 56 310 2688
CH-5232 Villigen                      gnupg key: 0x515E30C7
Switzerland
https://www.psi.ch/acs/

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