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