Struct CellList 

pub struct CellList<'a> { /* private fields */ }

Fixed-radius grid built in O(n) with one contiguous member array.

Implementations

impl<'a> CellList<'a>

pub fn build_in( positions: &'a [[f32; 3]], targets: &[u32], cutoff: f32, periodic: Option<PeriodicBox>, options: CellGridOptions, context: &ExecutionContext, ) -> Result<Self, SpatialError>

Builds an index whose construction peak and retained buffers share the execution account. Dropping the index releases its retained charge.

Errors

Returns invalid geometry, cancellation or memory admission errors before allocating the grid buffers.

impl<'a> CellList<'a>

pub fn build( positions: &'a [[f32; 3]], targets: &[u32], cutoff: f32, periodic: Option<PeriodicBox>, ) -> Result<Self, SpatialError>

Builds an index over targets.

Errors

Returns an error for an invalid cutoff or target index.

pub fn build_with_options( positions: &'a [[f32; 3]], targets: &[u32], cutoff: f32, periodic: Option<PeriodicBox>, options: CellGridOptions, ) -> Result<Self, SpatialError>

Builds an index under an explicit cell-grid memory policy.

Errors

Returns an error for invalid options, cutoff or target index.

pub fn pairs( &self, query: &[u32], cutoff: f32, ) -> Result<Vec<NeighborPair>, SpatialError>

Finds pairs for the indexed targets.

Errors

Returns an error when the requested cutoff exceeds the build cutoff or a query index is out of range.

pub fn for_each_candidate( &self, query: &[u32], cutoff: f32, emit: impl FnMut(u32, u32, f32), ) -> Result<(), SpatialError>

Visits oriented query-target candidates without retaining pairs.

Self-pairs are omitted. Overlapping query and target sets may emit both orientations; callers computing symmetric results must choose ownership.

Errors

Returns invalid query indices or a cutoff larger than the indexed cutoff.

Trait Implementations

impl<'a> Debug for CellList<'a>

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.