SpatialGrid

rust_sasa::structures::spatial_grid

Struct SpatialGrid 

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pub struct SpatialGrid { /* private fields */ }

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impl SpatialGrid

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pub fn new( atoms: &[Atom], active_indices: &[usize], cell_size: f32, max_search_radius: f32, ) -> Self

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pub fn build_all_neighbor_lists( &self, atoms: &[Atom], active_indices: &[usize], probe_radius: f32, max_radius: f32, ) -> Vec<Vec<NeighborData>>

Build neighbor lists for all active atoms

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