All notable changes to this project will be documented in this file.
The format is based on Keep a Changelog, and this project adheres to Semantic Versioning.
Added ^^^^^
- Enhanced DSC data import functionality for Setaram file formats
- Support for multiple delimiter and decimal separator styles
- Comprehensive file format detection for Setaram DSC files
Changed ^^^^^^^
- Improved robustness of data import mechanisms
- Enhanced logging for file format detection
- Maintained backwards compatibility with existing import methods
Fixed ^^^^^
- Better handling of file import variations
- Improved error handling for different file configurations
- Improved GitHub issue template user experience
- Relocated guidelines checkbox section in issue templates
- Enhanced template layout for more intuitive issue creation workflow
- Restructured issue template to reduce friction in reporting process
- Maintained all existing guideline compliance checks
- GitHub Actions permissions causing Codecov testing and badge updates to fail
- Code of Conduct following the Contributor Covenant
- Contributing guidelines and templates for standardizing contributions
- Security policy for vulnerability reporting
- Issue templates for bug reports, documentation issues, and feature requests
- GitHub Actions workflow for automated testing and publishing
- New plotting functions for dilatometry data visualization
- Enhanced dilatometry analysis functions for extrapolation and transformation calculations
- Import path issues across examples and modules
- Reorganized and standardized imports across all modules
- Improved code formatting consistency throughout the project
- Enhanced documentation structure and clarity
- Updated type annotations and docstrings across modules
- New technique_analysis module for specific thermal analysis methods
- Comprehensive dilatometry analysis capabilities
- Enhanced visualization with detailed annotations
- Automatic margin optimization for linear fitting
- Quality metrics for analysis validation
- Reorganized code structure for better modularity
- Improved separation of preprocessing and analysis functions
- Enhanced error handling and input validation
- Better organization of helper functions
- Improved visualization capabilities
- Better handling of edge cases in analysis methods
- Improved accuracy in transformation point detection
- Enhanced robustness of linear segment fitting
- New
kissinger_nonlinear_eq
function for enhanced non-isothermal kinetics analysis - Enhanced calculations in the Kissinger method for improved accuracy and robustness
- Five new plotting functions for better visualization of kinetic analysis data
- Updated dependency specifications for improved functionality:
- Removed dependencies on tensorflow and torch
- Streamlined package requirements
- Improved data handling and filtering processes within kinetic analysis methods
- Improved error handling in the Kissinger method to ensure positive peak temperatures and heating rates
- Minor formatting improvements in test files for better readability
- Significantly improved documentation for all modules and methods
- Enhanced clarity and structure of method descriptions
- Added more detailed usage examples and notes for each method
- Improved cross-referencing between related methods and visualization functions
- New plotting functions in the
result_visualization
module:plot_arrhenius
plot_conversion_vs_temperature
plot_derivative_thermogravimetry
plot_activation_energy_vs_conversion
plot_avrami_results
- Enhanced public API for visualization functions in
result_visualization/__init__.py
- Improved data handling and filtering processes in kinetic analysis methods
- Streamlined plotting and data generation functions for better organization
- Enhanced accuracy of kinetic analysis methods through improved data handling
- Initial release of Pkynetics library
- Data import module:
- Support for TGA data import from TA Instruments, Mettler Toledo, Netzsch, and Setaram
- Support for DSC data import from TA Instruments, Mettler Toledo, Netzsch, and Setaram
- Custom importer for flexible data import
- Model fitting methods:
- Avrami method for isothermal crystallization kinetics
- Kissinger method for non-isothermal kinetics analysis
- Coats-Redfern method for kinetic analysis
- Freeman-Carroll method for non-isothermal kinetics analysis
- Horowitz-Metzger method for kinetic analysis
- Basic documentation and examples for each implemented method
- Unit tests for data import and model fitting methods