[GSAS-II] GSAS-II news, reporting bugs

[Toby, Brian H.]

A bit of news about GSAS-II:

First, if you have not noticed, GSAS-II has new capabilities for sequential refinements, parametric fits and small angle scattering. The tutorials are a good place to see how this is used.

Second, work (mostly from Bob) has started on working with TOF neutron data. Funding for the TOF work is coming from ORNL, thanks to Ashfia Huq, Thomas Proffen and their Users’ Group (SHUG). Work will start with single crystal (since that code is used in powder fitting). Expect perhaps six months before TOF work is complete. This will require significant changes “under the hood (bonnet)” in extending data structures, so things that currently work may break.

We frequently get bug reports that we can’t act upon without getting a lot more information. To save your time and ours, before reporting a bug, please confirm you are using the newest GSAS-II version (see Help/Check for Updates). If you are not running the latest and greatest (or sometimes buggiest), we will usually tell you to update and then see if the problem persists, so we don’t spend a lot of time tracking down something that we have already fixed.  When you do report a bug, sending an e-mail to this mailing list (gsas-ii at mailman.aps.anl.gov<mailto:gsas-ii at mailman.aps.anl.gov>) is reasonable, since other people may learn from it, or you can send it to us (both vondreele at anl.gov<mailto:vondreele at anl.gov> and toby at anl.gov<mailto:toby at anl.gov>, please) if you are shy.

Note, when reporting bugs to us, please do the following:

1) Send us the traceback that shows any error message(s) at the end of the console window (as below), if you see one. If not, explain exactly what is going wrong.

2) Report the startup lines that GSAS-II prints at the beginning of the console output (as below) so we know what version of Python etc. you are using. You may need to scroll up in the window or restart GSAS-II to get this.

3) Please tell us exactly what things we need to do (after starting G2 using your .gpx file) to get to the error you have (tell us: click on … then…)

4) Get us the .gpx file — don’t broadcast that to gsas-ii at mailman.aps.anl.gov<mailto:gsas-ii at mailman.aps.anl.gov>, but do e-mail it to toby at anl.gov<mailto:toby at anl.gov> and vondreele at anl.gov<mailto:vondreele at anl.gov>, or upload it to https://anl.box.com/s/al9fl3on5xvxqjql2y4q (you will need to set up a guest account) or use some other sharing service, such as dropbox.com<http://dropbox.com> and include a link in the e-mail.

5) If your error involves processing an image, we will need that too. Again please don’t send that to the full list, either.

Brian & Bob

Sample startup message:

GSAS-II binary directory:  /Users/toby/software/G2/GSASII/binmac64-2.7
Python module versions loaded:
python:      2.7.6
wxpython:    2.9.2.4
matplotlib:  1.3.1
numpy:       1.8.0
scipy:       0.13.3
OpenGL:      3.0.1
Image (PIL): 1.1.7
Max threads  1
This is GSAS-II version:      0.2.0  revision 1420

Sample error traceback:

Traceback (most recent call last):
  File "/Users/toby/software/G2/GSASII/GSASIIphsGUI.py", line 5282, in OnPageChanged
    print G2frame.dataDisplay.GetTitle()
AttributeError: 'GSNoteBook' object has no attribute 'GetTitle'

********************************************************************
Brian H. Toby, Ph.D.                            office: 630-252-5488
Senior Physicist/Section Head for Scientific Software
Advanced Photon Source
9700 S. Cass Ave, Bldg. 401/B4192            work cell: 630-327-8426
Argonne National Laboratory
Argonne, IL 60439-4856         e-mail: brian dot toby at anl dot gov
********************************************************************
"We will restore science to its rightful place, and wield technology's wonders... We will harness the sun and the winds and the soil to fuel our cars and run our factories...  All this we can do. All this we will do."

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