upxo.pxtal.twinned_simple_3d.steps.steps_host_allocation module

Host Allocation – Part H of the Twinned FCC walkthrough.

Allocates which grains in the base structure become twin “hosts” (a Maximal-Independent-Set-constrained spatial selection targeting a physical volume fraction), then re-assesses the result via 2D cross-sections for comparability with the EBSD 2D target.

upxo.pxtal.twinned_simple_3d.steps.steps_host_allocation.allocate_hosts(pxt, tslice_key, transformed_base=None, target_fraction=0.3, min_voxels=4, scale_factor=1.65, ranking_weight=1.0, mis_fraction=0.25, mis_runs=10, seed=0, pool_b_size_measure='vol_vox', pool_b_band_method='std', pool_b_band_shape='above', pool_b_n_std=1.0, pool_b_percentile_lo=25.0, pool_b_percentile_hi=75.0, pool_b_neighbour_frac=50.0)

Builds (or reuses a Transformations-modified) base structure, characterizes its morphology, then runs the MIS-constrained spatial host allocation.

transformed_base: pass the result of steps_transformations.apply_transform() to allocate on a rescaled/stretched structure instead of the raw MC slice; leave as None to use the raw slice directly.

Returns:

• TwinnedSimple3DBase (base, now carrying the allocation result)

• (host/non-host grain roles) – pass this straight into

• reassess_hosting_2d() and later steps_pre_twin_validation.

upxo.pxtal.twinned_simple_3d.steps.steps_host_allocation.reassess_hosting_2d(base, axes=('x', 'y', 'z'), n_per_axis=5, connectivity=4)

2D Slice-Based Assessment – re-checks the 3D allocation result via 2D cross-sections (comparable to the EBSD 2D target), NOT a re-run of the allocation itself.

Returns:

• dict ({‘count_ratio_mean’, ‘count_ratio_std’, ‘area_ratio_mean’,)

• ’area_ratio_std’, ‘n_slices_used’, …}