Skip to main content

molframe_spatial/
lib.rs

1//! Deterministic spatial indices and neighbour search.
2
3#![forbid(unsafe_code)]
4
5mod backends;
6mod base_pair_geometry;
7pub use base_pair_geometry::{GeometricBasePair, standard_base_pair_geometry};
8mod cross;
9mod geometry;
10mod model;
11mod planning;
12mod queries;
13
14pub(crate) use backends::brute;
15pub(crate) use geometry::numeric;
16
17pub use backends::{CellList, KdTree, KnnOptions, KnnResult, NO_NEIGHBOR, NeighborList};
18pub use cross::{CrossPair, cross_pairs, cross_pairs_periodic};
19pub use geometry::{PeriodicBox, PeriodicImage};
20pub use model::{NeighborPair, PairColumns, SpatialBackend, SpatialError, SpatialOption};
21pub use planning::{
22    AutoBackendProfile, CellGridOptions, KdPeriodicOptions, NeighborListOptions,
23    NeighborSkinProfile, SpatialPlan, SpatialSearchOptions, StructureSpatial,
24};
25pub use queries::{
26    PairQuery, count_pairs_within, for_each_pairs_within_unsorted, knn_between, knn_within,
27    pairs_within, pairs_within_unsorted, pairs_within_unsorted_with_options,
28    pairs_within_with_options, reduce_pairs_within_unsorted, within, within_with_options,
29};