Add postprocessing module for the PWN model (09pwnmodel2) - #40
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Extract the post-MODFLOW-run steps of modelscripts/09pwnmodel2 into a reusable module: the mass-balance discrepancy guard, loading heads/concentration, the freshwater head, the fresh/salt interface (grensvlak), the thickness-weighted mean concentration, and the result maps. The interface is computed with nlmod.dims.get_isosurface (linear interpolation of the elevation where chloride crosses the threshold), pinning salt-at-surface columns to the model top and never-salt columns to the model bottom, and filling dry cells at both ends. Regression tests pin the fresh/salt limits, the shallowest up-crossing on inverted profiles, trailing-NaN columns, threshold monotonicity, and the budget-guard semantics.
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What
Extracts the post-run steps of
modelscripts/09pwnmodel2/01_pwnmodel2.py(everything afternlmod.sim.write_and_run) intonhflotools.postprocessing:check_budget_discrepancy— mass-balance guard (flopyMf6ListBudget)add_output_to_ds— loads heads/concentration; deriveshead_filled,conc_filled,freshwater_head,grensvlak_zoet/grensvlak_brak,concentration_mean,dconcentration_meaninterface_elevation— fresh/salt interface vianlmod.dims.get_isosurfaceplot_result_maps— the standard result mapsSuperseding + correctness
The old layer-discretised
grensvlak(botm of the last fresh layer) is replaced by an interpolated interface. Review caught thatget_isosurfacereturns the first sign change in either direction (its own docstring hasleft/rightbackwards); the module pins salt-at-surface columns to the model top and fills dry cells, so the result matches the old logic at the limits while interpolating the crossing. Verified on real model output: thez(1000) ≥ z(8000)ordering invariant holds for all 80069 (time×cell) columns — 0 violations, 0 NaN.Tests
tests/test_postprocessing.py— 8 tests pinning the limits, interpolation, inverted/salt-topped profiles (shallowest up-crossing), trailing-NaN columns, threshold monotonicity, and the budget guard's abs/threshold semantics.Note
The companion
modelscripts/09pwnmodel2change (calling this module) must land after this PR, or its import breaks the model CI.