Changelog ========= 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 `_. [v0.3.6] - 2025-03-29 --------------------- Added ^^^^^ - New ``detect_segment_direction`` function to determine if data is from cooling or heating segments - Enhanced dilatometry analysis to properly handle cooling segments (decreasing temperature) - Direction indicators in visualizations to clearly show cooling vs heating segments - Improved command-line options for batch processing in dilatometry analysis Changed ^^^^^^^ - Modified ``find_inflection_points`` to adjust behavior based on segment direction - Updated ``calculate_transformed_fraction_lever`` to handle both cooling and heating - Enhanced lever rule and tangent methods to work with both heating and cooling directions - Improved error messages and validation for temperature ranges Fixed ^^^^^ - Fixed temperature validation that previously failed for cooling segments - Enhanced error handling for insufficient data points - Improved temperature range validation to accommodate both heating and cooling segments [v0.3.5] - 2025-03-11 --------------------- Added ^^^^^ - Added ``reaction_model`` parameter to ``generate_coats_redfern_data`` function Fixed ^^^^^ - Fixed missing imports in examples/horowitz_metzger_method_example.py - Fixed references in documentation to non-existent functions - Fixed division by zero error in nth_order reaction model when n=1 - Fixed NaN values in pre-exponential factor calculation in Coats-Redfern method [v0.3.4] - 2025-03-10 --------------------- Added ^^^^^ - New ``horowitz_metzger_plot`` function in model_fitting_methods module - New ``plot_horowitz_metzger`` function in result_visualization module Fixed ^^^^^ - Fixed missing imports in examples/horowitz_metzger_method_example.py - Fixed references in documentation to non-existent functions [v0.3.3] - 2024-12-27 --------------------- 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 [v0.3.2] - 2024-12-27 --------------------- Changed ^^^^^^^ - Improved GitHub issue template user experience - Relocated guidelines checkbox section in issue templates - Enhanced template layout for more intuitive issue creation workflow Fixed ^^^^^ - Restructured issue template to reduce friction in reporting process - Maintained all existing guideline compliance checks [v0.3.1] - 2024-12-26 --------------------- Fixed ^^^^^ - GitHub Actions permissions causing Codecov testing and badge updates to fail [v0.3.0] - 2024-12-13 -------------------- Added ^^^^^ - 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 Fixed ^^^^^ - Import path issues across examples and modules Changed ^^^^^^^ - 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 [v0.2.3] - 2024-11-09 -------------------- Added ^^^^^ - 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 Changed ^^^^^^^ - 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 Fixed ^^^^^ - Better handling of edge cases in analysis methods - Improved accuracy in transformation point detection - Enhanced robustness of linear segment fitting [v0.2.2] - 2024-10-22 -------------------- Added ^^^^^ - 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 Changed ^^^^^^^ - Updated dependency specifications for improved functionality - Removed dependencies on tensorflow and torch - Improved data handling and filtering processes within kinetic analysis methods Fixed ^^^^^ - Improved error handling in the Kissinger method to ensure positive peak temperatures and heating rates - Minor formatting improvements in test files for better readability [v0.2.1] - 2024-09-18 -------------------- Changed ^^^^^^^ - 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 [v0.2.0] - 2024-09-17 -------------------- Added ^^^^^ - 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`` Changed ^^^^^^^ - Improved data handling and filtering processes in kinetic analysis methods - Streamlined plotting and data generation functions for better organization Fixed ^^^^^ - Enhanced accuracy of kinetic analysis methods through improved data handling [v0.1.0] - 2024-09-03 -------------------- Initial release of Pkynetics library Added ^^^^^ 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 Other """"" - Basic documentation and examples for each implemented method - Unit tests for data import and model fitting methods