Extensive Test Suite Implementation#22
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- Add tests/test_logging.py to test logging configuration. - Enhance tests/test_models.py to cover path loading and error scenarios. - Enhance tests/test_config.py to validate convergence criteria and device strings. - Enhance tests/test_io.py to handle empty/malformed files and permission errors. - Ensure CLI help is tested in tests/test_cli.py. - Verify comprehensive test coverage (>86%). Co-authored-by: niklashoelter <83964137+niklashoelter@users.noreply.github.com>
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This PR enhances the existing test suite (or establishes it if considered missing) to be full and extensive.
It achieves 86% code coverage and covers API, CLI, Config, IO, Models, Optimizer, and Structure modules.
It robustly mocks
HF_TOKENdependent components (fairchem,torch-sim) to allow testing without tokens/network/GPU.Specific additions include logging tests, edge case handling for I/O and config validation, and model loading via paths.
PR created automatically by Jules for task 10598339394247217714 started by @niklashoelter