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v1.1.3

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@Gnpd Gnpd released this 11 Mar 18:11

fix bugs, add type hints, replace print with logging, expand tests

  • Fix missing numpy import in readers.py (NameError at runtime)
  • Remove dead code return DATAFIT in hsp_estimator.py
  • Fix n_spheres dispatch: classic fit now correctly routes to _classic_two_fit only when n_spheres == 2 (was >= 2)
  • Fix duplicate scatter in plot_3d() (good solvents plotted twice)
  • Make plot_3d(), plot_2d(), and plots() return their figure objects (plots() previously returned None despite docstring claiming otherwise)
  • Replace all print() calls in library code with logging.getLogger()
  • Add type hints to public API: fit, predict, transform, score, read, get, plot_3d, plot_2d, plots, and all utils/loss functions
  • Improve docstrings: _binarize_labels label semantics, compute_datafit DATAFIT formula, transform RED metric, loss penalty rationale
  • Make discovery walker skip modules with missing optional dependencies
  • Add tests/test_hsp.py and tests/test_readers.py (18 new tests)