Add select_by_species helper and freeze species as tuple (closes #66)#73
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Add select_by_species helper and freeze species as tuple (closes #66)#73
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Summary
StructureScene.speciesis now stored as a tuple, fixed at construction. No downstream code mutates it; the type annotation cascade is purely mechanical.select_by_speciesmethod filters a full-length per-atom array to keep only selected species, filling the rest with the appropriate missing sentinel (NaNfor numeric,Nonefor categorical). Handles integer-to-float and unicode-to-object promotion automatically. Works for 1-D and 2-D arrays.Closes #66.