coderabbitai[bot]
commented
2 months ago Walkthrough
The changes introduce several new files implementing various model-free kinetic analysis methods, including Friedman, Horowitz-Metzger, Kissinger-Akahira-Sunose (KAS), and Ozawa-Flynn-Wall (OFW). Each method includes functions for data generation, analysis, and visualization. Additionally, existing example scripts have been enhanced for clarity and functionality, while unit tests have been added to ensure the robustness of the new methods.
Changes
| Files | Change Summary |
|---|---|
examples/avrami_method_example.py |
Enhanced functionality and visual representation of Avrami analysis; adjusted data generation parameters and improved plotting aesthetics. |
examples/friedman_method_example.py, model_free_methods/friedman_method.py, tests/test_friedman_method.py |
New file implementing the Friedman method for kinetic analysis, including data generation, analysis, and visualization functions, along with comprehensive unit tests. |
examples/horowitz_metzger_method_example.py, model_fitting_methods/horowitz_metzger.py, tests/test_horowitz_metzger_method.py |
New file implementing the Horowitz-Metzger method for kinetic analysis, featuring data simulation, analysis, visualization, and unit tests assessing accuracy and noise handling. |
examples/kas_method_example.py, model_free_methods/kas_method.py, tests/test_kas_method.py |
New file implementing the KAS method for kinetic analysis, with functions for data generation, analysis, and visualization, along with unit tests evaluating accuracy and noise resilience. |
examples/ofw_method_example.py, model_free_methods/ofw_method.py, tests/test_ofw_method.py |
New file implementing the OFW method for kinetic analysis, including data generation, analysis, and visualization, along with unit tests focusing on accuracy and noise resilience. |
model_fitting_methods/__init__.py |
Updated to include Horowitz-Metzger methods in the public interface. |
model_free_methods/__init__.py |
New initialization module for model-free methods, importing specific methods and defining the public interface. |
Sequence Diagram(s)
sequenceDiagram
participant User
participant DataGenerator
participant KineticMethod
participant Plotter
User->>DataGenerator: Request sample data
DataGenerator->>KineticMethod: Generate data
KineticMethod-->>DataGenerator: Return generated data
User->>KineticMethod: Perform kinetic analysis
KineticMethod-->>User: Return analysis results
User->>Plotter: Request visualization
Plotter-->>User: Display results🐰 In the meadow, I hop with glee,
New methods for kinetics, oh what a spree!
From Friedman to KAS, they all take flight,
With plots and data, such a delight!
Let's analyze reactions, one by one,
Hopping through science, oh what fun! 🌼✨
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