Context Navigation

← Previous Ticket
Next Ticket →

Ticket #7948 (closed: fixed)

Opened 7 years ago

Last modified 5 years ago

Fix formatting in SaveGSASInstrument

Reported by:	Peter Peterson	Owned by:	Wenduo Zhou
Priority:	major	Milestone:	Release 3.0
Component:	Diffraction	Keywords:
Cc:	zhouw@…	Blocked By:
Blocking:		Tester:	Vickie Lynch

Description

Ashfia tracked down the difference:

Ok folks, its one line in the parameter file that is causing all the issues. 
Incidentally the only line that is different from last cycles parameter file 
(which was the clue).  The correct format of this line is (notice the gap)
INS  1 ICONS 22565.814     0.000     0.000               0.000    0     0.000

What your writer is writing is
INS  1 ICONS 22565.814     0.000     0.000     0.000    0     0.000

Once you fix that line everything else works.  Attached are the files 
SaveGSASInstrument file writes (Incorrect) and my corrected version which 
I used to do a successful refinement.

The other small issue is that the file is not being written with GSAS 80 character 
followed by return.  However, that we can fix by just running the convert routine 
in GSAS.  However it would be nice if we didn't need to.

Attachments

PGHR_60-2013B.prm (120.9 KB) - added by Peter Peterson 7 years ago.
PGHR_60-2013B-Incorrect.prm (120.9 KB) - added by Peter Peterson 7 years ago.
2013B_HR60_All.irf (4.8 KB) - added by Wenduo Zhou 7 years ago.

Change History

Changed 7 years ago by Peter Peterson

Attachment PGHR_60-2013B.prm added

Changed 7 years ago by Peter Peterson

Attachment PGHR_60-2013B-Incorrect.prm added

comment:1 Changed 7 years ago by Peter Peterson

Owner changed from Peter Peterson to Wenduo Zhou

comment:2 Changed 7 years ago by Wenduo Zhou

Status changed from new to inprogress

comment:3 Changed 7 years ago by Wenduo Zhou

Fixed windows build. Refs #7948.

Changeset: cbe15194419f656a5a804b9d65a111cb5ab2624b

comment:4 Changed 7 years ago by Wenduo Zhou

Called FixGSASInstrumentFile. Refs #7948.

Changeset: d7573e9965fab6fe39a1377794867221fdc9acac

comment:5 Changed 7 years ago by Wenduo Zhou

Created files for FixGSASInstrumentFile in C++. Refs #7948.

Changeset: ba0d81329ca52d0112334a421704f249098da995

comment:6 Changed 7 years ago by Wenduo Zhou

Tranlated from python to c++. Refs #7948.

Changeset: 228d50ff15e12127f4276a3d7250eae81ae4b9f8

comment:7 Changed 7 years ago by Wenduo Zhou

Updated CMake. Refs #7948.

Changeset: 4082f93bf060605c9340ddd7c4e661b052b9e0f6

comment:8 Changed 7 years ago by Wenduo Zhou

Updated due to previous change to C++. Refs #7948.

Changeset: 796c101f2772773780f281a78e7f1c207e5650de

comment:9 Changed 7 years ago by Wenduo Zhou

Resolved conflict. Refs #7948.

Changeset: 7c4e090ccdfa825dc1764ff7ba6b36e10ce5e44c

comment:10 Changed 7 years ago by Wenduo Zhou

How to verify

Download all the files attached;
Run SaveGSASInstrumentFile as

InputFilename = "2013B_HR60_All.irf", OutputFilename = "/tmp/test.prm", BankIDs = "1-5", Instrument = "powgen", ChopperFrequency= "60", IDLine = "TEST", Sample = "LaB6", L1 = "60.", TwoTheta = "90."

Compare the output file test.prm to both PGHR_60-2013B.prm and PGHR_60-2013B_incorrect.prm. You should find that test.prm be same as PGHR_60-2013B.prm. Each line should have 80 characters.

Last edited 7 years ago by Wenduo Zhou (previous) (diff)