Refactor code to object-oriented design #42
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Enabling to use MPS (Multi-Process Service) for better calculation efficiency
Refactor Default Value Handling in Configuration Files
… Update .gitignore to track config files. Co-Authored-By: K. Yanagisawa <[email protected]>
Co-Authored-By: K. Yanagisawa <[email protected]>
- Add TypedDict classes for settings and configuration - Add type hints to function signatures in core modules - Fix type compatibility issues in dictionary operations - Improve docstring formatting for better type checking - Add numpy typing for array operations Co-Authored-By: K. Yanagisawa <[email protected]>
- Add .coveragerc with source and report settings - Update CI workflow to run coverage with pytest - Add coverage output files to .gitignore Co-Authored-By: K. Yanagisawa <[email protected]>
…bilityMap, MDSimulationManager, ResidueEnvironmentAnalyzer, Configuration, and ProfileAnalyzer with backward compatibility Co-Authored-By: K. Yanagisawa <[email protected]>
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- Remove test infrastructure changes - Test infrastructure moved to enhance_unittest branch Co-Authored-By: K. Yanagisawa <[email protected]>
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Link to Devin run: https://app.devin.ai/sessions/61d26f9060ba40b6bb4708de40fa4e5c
This PR focuses on refactoring the codebase to improve modularity and maintainability through object-oriented design:
Key Changes:
Introduced core classes:
Improved code organization:
Enhanced maintainability:
Note: Test infrastructure improvements have been moved to a separate PR (#43) for cleaner review process.