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Sprint 09 2022
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- entry template for instrumentDB, has prototype, will discuss with shervin
- will use that template to put in neutron-matter interaction
- demoed instDB working principle, triggered discussion with mads
- answered manuel’s questions on lpv
- writing documentation
- create module in simex-lite to interface instrumentDB API
- found and addressed bug in diffraction
I will proceed with the work on the SimEx-Oasys widget becoming a part of the add-on. Yesterday I already made some commits into the repo and today I will put everything on PyPI. Then the first point from my task list in github will be done (https://github.com/orgs/PaNOSC-ViNYL/projects/5/views/1). For #2 I will need to work with Juncheng on the UI.
- working on simex notebook
Implemented ability to run parts of McStasScript instrument, saving and/or loading from file. Still has a few kinks to work out with location of generated file and loading these.
SimEx-Oasys widget is now a part of OASYS1-PaNOSC add-on for Oasys (on PyPI v0.3.0).
SimEx is not a requirement and not having the module does not break the add-on and Oasys installation. The user gets a warning message in case SimEx is not installed. I will continue to work on a short documentation on how to properly install GAPD in the correct environment.
When Juncheng is available we will work on the improvements to the UI for a real use case.
I have been exploring ways to simplify the writing of a McStas instrument in the instrument database adding functions that reduce the amount of code to be written by the instrument maintainer.
I have also trying to split one instrument into multiple calculators.
The draft of the SPB-SFX instrument example using SimEx-Lite is created. It worked as expected. https://github.com/PaNOSC-ViNYL/instrument_database/tree/spb/institutes/EuXFEL/instruments/SPB-SFX/HEAD/simex-lite
Jun and Shervin will polish it today.
Showed progress on cutting McStas instruments into subsets, saving the beam to disk or loading at start/end of subset. This proof of concept was necessary to ensure we could make a simple template for the instrument database where users can split the instrument as needed later.
- Finished the sectioning of an instrument into multiple calculators with a single extra command w.r.t. to the way of implementing the instrument as a single calculator in McStasScript.
- One remaining issue related to the bridge between one calculator and the following: the path of output file of the previous calculator is not correctly passed to the following to be used as input.
- With the help of Jun I have a fix for McStasScript to add the MCPL output file to the list of outputs of the calculator.
- struggles with pdb file
- tries to get pmi_analysis to work, implemented accessor functions for important but hidden attributes
- worked with shervin on integrating simex-lite and instrumentDB, seems to work well at this point
- briefly demoed a workflow script
- will now work on DA-SIM coupling
- worked on change of user interface towards json for gapd diffractor in oasys
- started on documentation for installation
- could turn simex-widgets into a oasys addon
- can split mcstas instr. into sections (demod yesterday)
- metadata text file in folder describes beam dumps
- has permission to upload ESS instrument into instrumentDB !
- will support shervin in finishing
- finished sectioning thales instrument into multiple calculators
- paths should be absolute to avoid breaks
- will try to finish remaining tasks and release instrumentDB on pypi and lpv, maybe even mcstasscript
- not working on python next week but finish digital twin prototype for thales, so can start instrument in visa
- various issues with pmi data
- need to visualize system before simulation to check sanity
- need to visualize hdf5 output from pmi
- Demos how to setup instruments with libpyvinyl derived classes
- can insert monitor components at arbitrary positions in the beamline
- can restart from the first changed component (implemented using hashes)
- workspace repo downloader now a main component of oasys
- simex widget for diffraction is ready to use, must have GAPD installed.
Carsten asks everyone to compile a written report on the sprint results and work being done during the current reporting period (Dec. 2021 until now) including status and perspectives in the various simulation frameworks, libraries (libpyvinyl, instrumentdatabase, instrumentdatabaseapi)