[cctbxbb] simtbx - Pilatus example available

James Holton jmholton at lbl.gov
Sun Apr 8 11:38:01 PDT 2018


Sounds good to me.  Assuming I'm not the only one who would like to do 
test Jenkins runs without breaking the master branch, perhaps 
cctbx-playground is the branch to use?

-James


On 4/8/2018 9:13 AM, Aaron Brewster wrote:
> Hi James, I’ve looked at it. The branch still has my test commit that 
> breaks Windows in it. That’s the demo commit we made to test Jenkins. 
> I’ll cherry pick your two commits into a new branch later today. 
>  Maybe we can point Jenkins at that branch instead?
>
> -Aaron
>
> On Apr 7, 2018, at 1:52 PM, James Holton <jmholton at lbl.gov 
> <mailto:jmholton at lbl.gov>> wrote:
>
>> Took most of last week, but I finally got it to work. 
>> tst_nanoBragg_pilatus.py will create a Pilatus-like image, complete 
>> with bad pixels, window panes, thickness effects, module-to-module 
>> misalignment and 0.1 deg of phi rotation.  It takes one optional 
>> argument, which is the image number in a sequence of 3600.  I've 
>> processed this simulated data set with xia2 and XDS and found the 
>> anomalous signal has the right sign.
>>
>> This required some edits and additions to the simTBX code as well as 
>> FormatCBFMini.as_file() that I think fixed a beam center consistency 
>> bug.  Now if you dxtbx.load() and FormatCBFMiniPilatus.as_file() you 
>> get the same beam center in both input and output headers.  I also 
>> enhanced the header to make it look more like the ones in DIALS 
>> regression.  A new "SIM.F000" value is now available for marking the 
>> "direct beam" on the image itself.
>>
>> I spent most of Friday and all of this morning trying to follow the 
>> check-in procedure we laid out during the DIALS workshop. Not sure 
>> how, but it suddenly started working just now.  I believe I have 
>> checked in this code into the simtbx_sandbox branch of 
>> cctbx_project.  Is Jenkins looking at this yet?  Is anyone looking at 
>> this yet?
>>
>> -James Holton
>> MAD Scientist
>>
>>
>>
>>
>>
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