Add standalone chromatogram handover package from rm_code#1
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Motivation
rm_codeso teams can easily compute chromatograms from retention parameters and gradient programs without the full research repo.Description
chromatogram_handover/containing a refactored model insrc/chromatogram_handover/model.pythat exposesGradientProgram,RetentionParameters,Chromatogram,retention_time_and_width, andcompute_chromatogramas a clear API.load_retention_parametersinsrc/chromatogram_handover/io.pyfor two-columnk0,Sfiles and expose public symbols from__init__.pyfor minimal import ergonomics.pyproject.toml, a focusedREADME.mdwith install and minimal usage examples, and a.gitignoreto keep artifacts out of the package.chromatogram_handover/tests/test_model.pythat compare outputs against the legacyrm_code.retention_model.compute_chromatogramand validate input errors for bad gradient definitions.Testing
python -m py_compile chromatogram_handover/src/chromatogram_handover/*.py chromatogram_handover/tests/test_model.py, which completed successfully.pytest chromatogram_handover/tests -q, but test collection was blocked by a missingnumpydependency in the current environment (nonumpyinstalled).python -m pip install numpy pytest -q, but installation failed due to restricted network/package-index access in this environment, sopytestcould not be executed here.Codex Task