[cctbxbb] rstbx test is failing without indication in test_all_parallel

Fri Sep 22 08:58:33 PDT 2017

I was unaware that the code was actually used by anyone.

So does anyone know enough about the code to fix the failing test that Oleg and Graeme both complained about?

Cheers,

Richard

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 Aaron Brewster [asbrewster at lbl.gov]
Sent: 22 September 2017 15:56
To: cctbx mailing list
Subject: Re: [cctbxbb] rstbx test is failing without indication in test_all_parallel

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<mailto: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<mailto:cctbxbb-bounces at phenix-online.org> [cctbxbb-bounces at phenix-online.org<mailto:cctbxbb-bounces at phenix-online.org>] on behalf of richard.gildea at diamond.ac.uk<mailto:richard.gildea at diamond.ac.uk> [richard.gildea at diamond.ac.uk<mailto:richard.gildea at diamond.ac.uk>]
Sent: Friday, September 22, 2017 12:08
To: cctbxbb at phenix-online.org<mailto: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<tel:%2B441235%2077%208078>

Diamond Light Source Ltd.
Diamond House
Harwell Science & Innovation Campus
Didcot
Oxfordshire
OX11 0DE
________________________________
From: cctbxbb-bounces at phenix-online.org<mailto:cctbxbb-bounces at phenix-online.org> [cctbxbb-bounces at phenix-online.org<mailto:cctbxbb-bounces at phenix-online.org>] on behalf of Oleg Sobolev [osobolev at lbl.gov<mailto: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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