[cctbxbb] rstbx test is failing without indication in test_all_parallel

Nicholas Sauter nksauter at lbl.gov
Fri Sep 22 08:49:35 PDT 2017


Agreed.  This is stable, mature code.  No reason to kill it.
Nick

Nicholas K. Sauter, Ph. D.
Senior Scientist, Molecular Biophysics & Integrated Bioimaging Division
Lawrence Berkeley National Laboratory
1 Cyclotron Rd., Bldg. 33R0345
Berkeley, CA 94720
(510) 486-5713

On Fri, Sep 22, 2017 at 7:56 AM, Aaron Brewster <asbrewster at lbl.gov> wrote:

> FWIW I have used it on several occasions to understand how diffraction
> looks for different settings.  For example, when I was working on amyloids
> on the cspad detector I would run it like this:
>
> rstbx.simage.wx_display unit_cell=24.1460,4.8614,22.2291,90.000,107.319,90.000
> wavelength=1.452514 detector.distance=111 detector.size=194.15,194.15
> detector.pixels=1765,1765 ewald_proximity=0.042500 point_spread=20
>
> Twiddle the rotx, roty and rotz.  It's nifty.
>
> I don't see any reason to kill this code.
>
> -Aaron
>
>
> On Fri, Sep 22, 2017 at 4:22 AM, <markus.gerstel at diamond.ac.uk> wrote:
>
>> This appears to be true: looking through cctbx_project, dials, labelit,
>> phenix, phenix_regression I found no references apart from the tests that
>> sparked this thread.
>> I would just remove it for retirement - it will be preserved in the
>> history.
>>
>> -Markus
>> ________________________________________
>> From: cctbxbb-bounces at phenix-online.org [cctbxbb-bounces at phenix-online
>> .org] on behalf of richard.gildea at diamond.ac.uk [
>> richard.gildea at diamond.ac.uk]
>> Sent: Friday, September 22, 2017 12:08
>> To: cctbxbb at phenix-online.org
>> Subject: Re: [cctbxbb] rstbx test is failing without indication in
>> test_all_parallel
>>
>> As far as I recall rstbx/simage was a research project by Ralf that
>> hasn't been touched for over 5 years, and isn't used by any code outside of
>> rstbx/simage. Could this code be potentially "retired" somewhere outside of
>> cctbx?
>>
>> Dr Richard Gildea
>> Data Analysis Scientist
>> Tel: +441235 77 8078
>>
>> Diamond Light Source Ltd.
>> Diamond House
>> Harwell Science & Innovation Campus
>> Didcot
>> Oxfordshire
>> OX11 0DE
>> ________________________________
>> From: cctbxbb-bounces at phenix-online.org [cctbxbb-bounces at phenix-online
>> .org] on behalf of Oleg Sobolev [osobolev at lbl.gov]
>> Sent: 20 September 2017 19:33
>> To: cctbx mailing list
>> Subject: [cctbxbb] rstbx test is failing without indication in
>> test_all_parallel
>>
>> Dear colleagues,
>>
>> Accidentally I found out that this command:
>>
>> rstbx.simage.solver d_min=5 lattice_symmetry=P422 intensity_symmetry=P4
>> index_and_integrate=True multiprocessing=True
>> finishes with traceback.
>>
>> It is run as part of
>> phenix_regression/misc/tst_rstbx.csh
>>
>> The second problem is that test_all_parallel script fails to detect an
>> actual failure.
>>
>> It would be great if somebody who is in charge of rstbx and testing could
>> look at this.
>>
>> Best regards,
>> Oleg Sobolev.
>>
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