molframe-spatial 0.6.4

Deterministic spatial indices and neighbour search for molframe
Documentation
//! Deterministic spatial indices and neighbour search.

#![forbid(unsafe_code)]

mod backends;
mod base_pair_geometry;
pub use base_pair_geometry::{GeometricBasePair, standard_base_pair_geometry};
mod cross;
mod geometry;
mod model;
mod planning;
mod queries;

pub(crate) use backends::brute;
pub(crate) use geometry::numeric;

pub use backends::{CellList, KdTree, KnnOptions, KnnResult, NO_NEIGHBOR, NeighborList};
pub use cross::{CrossPair, cross_pairs, cross_pairs_periodic};
pub use geometry::{PeriodicBox, PeriodicImage};
pub use model::{NeighborPair, PairColumns, SpatialBackend, SpatialError, SpatialOption};
pub use planning::{
    AutoBackendProfile, CellGridOptions, KdPeriodicOptions, NeighborListOptions,
    NeighborSkinProfile, SpatialPlan, SpatialSearchOptions, StructureSpatial,
};
pub use queries::{
    PairQuery, count_pairs_within, for_each_pairs_within_unsorted, knn_between, knn_within,
    pairs_within, pairs_within_unsorted, pairs_within_unsorted_with_options,
    pairs_within_with_options, reduce_pairs_within_unsorted, within, within_with_options,
};