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RELEASE HISTORY

2.60 (2020-05-22)

  • Devconfig updates to match REPORT
  • Documentation updating, USER docs updating
  • Small bug fixes and error reporting

2.58 (2020-03-08)

  • Cleaned the devconfig workflow and organization
  • Debugged the MIT process (fully functional)
  • Debugged quasi random (non-mathematica sampler)

2.58 (2020-02-15)

  • Cleaned debugging processes
  • Reagent specification via interface optimized and now reflects gdrive
  • Reagentdf now restructured for specification (non-ECL, old ECL runs still supported)
  • Improved authentication, fixed scopes

2.57 (2019-12-09)

  • Mathematica >3 dimensions use guess and check
  • WF3 updates to new workflow specs (actions, defaults, template)
  • fixed well alignment issues with WF3 at LBL
  • Additional documentation updates

2.56 (2019-11-22)

  • Union - Intersect mathematica sampling prototype (now sampler 1.2)
  • !!!Difference sampling is currently disabled!!!
  • Small fixes to default template
  • adjusted devconfig defaults
  • migrated all labs over to 9 reagent preparation interface
  • updated templates to all similar
  • prep for reagent model and reagent object dictionaries
  • Added basic test interfaces in ./capture/teststing/TestXLSSheets/ (needs documentation)

2.54 (2019-10-30)

  • WF3 mathematica support
  • lowered the hotness of some fixes
  • brought in documentation from experimentalist (LBL, HC)

2.53 (2019-08-16)

  • Native model reporting for escalate and manual runs
  • Syntax fixes
  • Pep8 fixes

2.52 (2019-08-01)

  • Reimplemented WF3 support
  • Minor bug fixes for windows machines
  • Minor bug fixes for HC support
  • Added 'new folders' as an option to devconfig
  • Updated templates to match current wf
  • new data validation on chemical sheets (lives on google)

2.51 (2019-07-22)

  • Abstracted template with wrapper
  • (e.g. user controls 'reagent' names)
  • renamed interaction files to be more general
  • (e.g. CrystalScore --> ObservationInterface)
  • Added in manual specification of experiments
  • Protected cells the user is not allowed to edit
  • Added more clarity to UI
  • Added MIT as a supported lab with a (somewhat) unique pipeline

2.5 (2019-06-17)

  • New grid sampling in place of quasirandom sampling (uses mathematica in 2.5) #32 #48
  • No grid sampling for WF3 - must set "default" sampling in devconfig
  • updated templates
  • improved document readability

2.4 (2019-04-20)

  • Meta data patch
  • Updated versioning
  • updated templates
  • WF3 support added and tested

2.3 (2019-04-16)

  • Added ECL support
  • Reagents can be specified by model OR user input (not both)
  • Simplified chemical specification through inclusion in reagent list
  • Updated templates to reflect new interface architecture
  • Cleaned up files dumping to google drive

2.2 (2019-03-27)

  • Reorganized code for easier modification
  • Clarified variable usage from dictionaries
  • Clarified variables -- no hidden hardcodes
  • Linearized code
  • Redesigned UI and improved descriptions
  • Added development template which includes all relevant variables
  • Updated Readme, History, and templates.xls for end users
  • Extended code to function with any combination of 7 reagent solutions
  • Developer template and multiple user templates produced
  • Generalized reagent interface JSON file for 7 reagents
  • JSON generator updated for 7 reagents
  • Debugged multiple amines / tray (including with report functionality)
  • WARNING -- plotter is currently broken

2.1 (2019-02-27)

  • Removed user variable entry from code to XLS file
  • Organized code into appropriate sections for clarity
  • Deconvoluted variable relationships (made dictionaries easier to work with)

2.0.1 (2018-11-07)

  • Fixed FAH to reagents 6,7
  • Debugging fixes to generator
  • Additional CP automation

2.0 (2018-11-07)

  • Bug fixes
  • Added capacity for additional reagent
  • added volume correction to workflow which records the final prepared volume of the stock solution in addition nominal and actual solvent measured out during reagent preparation
  • Organized code into smaller portions prior to distribution and forking for challenge problem
  • Significant revisions to the sampling regime
  • Flexibility for multiple experiments using different chemicals
  • New experimental data interface for support for more reagents
  • Additional data output for post processing
  • Example scripts for user execution
  • Updated user interface (execution script) with a bit more flexibility
  • Improved logging --> More work still pending

1.2 (2018-08-01)

  • Organized code, fixed some initial bugs in the data generation, automated and distributed working version of the code to stakeholders (zhi, mansoor)

1.1 (2018-07-16)

  • Bug fixes which prevented program from generating potential reactions throughout all of the accessible physical space
  • other minor bug fixes

1.0 (2018-06-10)

  • Commited first fully functioning version of the experiment generator capable of generating a psuedorandom exploration of the concentrations provided by user
  • Updated associated files for logging and running code