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- Added support for handling parameter bounds in SASModel with compatibility for newer bumps versions. - Implemented checks for free parameters to skip optimizer invocation when none are available. - Improved covariance matrix handling in SASModel to ensure robustness across bumps versions. - Enhanced chi-squared calculation and error handling in SASFitter. - Updated AutoSASWebAppMixin to include sample index handling for model previews. - Introduced modal for editing fit method JSON in the web app. - Improved UI layout and styling for better user experience in the web app. - Added functionality to clear data context and reset state in the web app. - Enhanced JavaScript logic for managing model inputs and fitting processes.
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This pull request introduces significant improvements to the
AutoSASfitting workflow and adds a new web application frontend. The main changes focus on increasing compatibility with different versions of thebumpslibrary, improving robustness in parameter and covariance handling, and providing a modern, user-friendly web interface for model building, data loading, fitting, and result review.Key changes include:
Robustness and Compatibility Improvements in Fitting Logic
_initialize_modelto support both tuple andBoundedtypes, ensuring compatibility with multiple bumps versions and correcting bounds order if needed.fitmethod to handle the case where there are no free parameters, skipping unnecessary optimizer calls and initializing results accordingly.get_fit_paramsmore robust to missing or malformed error vectors.Improved Probability Calculations
_calculate_probabilitiesto normalize and validate covariance matrices, handle edge cases (zero parameters, invalid determinants), and ensure numerical stability in log likelihood and probability calculations. [1] [2]Remote Fitting and Data Handling Enhancements
_calculate_remoteto support both direct dataset and Tiled entry ID-based workflows, allowing more flexible data sourcing and result retrieval from remote servers.New Web Application Frontend
autosas_webapp.html) providing a modern, tabbed interface for data loading, model building, fit execution, and result review.These changes collectively make the fitting workflow more robust, user-friendly, and compatible with a wider range of environments, while introducing a new web-based interface for interactive use.