- Added support for chemical element lookup-data
- Added general regex parsing for command_calc.py
- Updated user documentation
- Updated developer documentation
- Updated
_calc_
docstrings and user docs - calc_command.json shifted to ./utils/calc_command.py
_calc_
can now evaluate simple functions, imports are handled through calc_command.py- Shifting all USER level information to google user doc
- Shifting DEV level information to wiki
- Added calc_command.json support
- Streamlined feature specification
- Improved error handling
- Integrated chemdescriptor module
- Generalized feature report around type_command.csv table
- Added full dataframe export option for v3 ETL targets, and additional export options
- Create a default view of the generated datasets (resembles past versions)
- Significant improvements to generalizability, flexibility, readability, and inspectability of code
- Generalized 'chemical_type' specification with user level access
- Updated Docstrings
- Added Test Kit, nothing fancy, but it is a (messy) start
- Added additional schema representations to cerberus (validated datasets, with significant improvements to dataset integrity)
- separated baseline parsing from all calcs and feats
- added dev test on baseline parseing
- debug now exports dataframes at every step
- all columns exported as lowercase (as much as possible)
- Wrapped all authentication, only activates when needed
- Added support for multi-folder, multi-lab data collation
- Improved lab vs. dataset distinction (lab is where capture runs, datasets are targets for report code)
- Documentation, docstrings, code readability changes
- Streamline workflow for gdrive and gspread authentication, less errors
- Deep testing with windowsOS for report functionality
- Updated creds handling
- Fixed windows failures (unicode parsing, and file handling issues)
- Updated documentation (incorporated windows install and use cases)
- Improved logging
- Code cleaning, synchronizing between capture and report devconfig, updates to readability
- Implemented reagent_object export (Warning! only tested with wf 1.1 LBL/HC ONLY)
- Implemented reagent_object nominals / actuals observables reporting in unique csv files
- Expert curated features added as default for LBL
- Changed the default header
_rxn_M_*
to target v1 concentrations - Shifted deprecated v0 from
_rxn_M_*
to `raw_v0-M* 'concentrations' - Updated perov_des_edited.csv
- Added support for MIT_PVLab workflow
- Update CLI: added choice for lab
- Generalized interface parsing to handle sheets from both labs
- Create development folder for debug mode with examples from both labs (HC/LBL and MIT)
- New concentration
_rxn_v1-M_
parameter added (using this notation until Alex C finalizes work) - Added prototype output support
- various bug fixes
- Support for multiple experiments / tray processing
- Support for versioned data repo file generation
- Preliminary support for escalation state set upload / versioned data upload
- Thorough logging and output beautification
- Modularized code for escalation work
- improved googleio interfacing --> improves performance
- Added debugging for future developement
- Updated logging
- Fixed headers for new temperature feature, added cli for raw data dump
- Organized code for distribution
- Commited first fully functioning version of the experiment to CSV pipeline
- Updated associated files for logging and running code