Struct PairQuery 

pub struct PairQuery<'a> {
    pub positions: &'a [[f32; 3]],
    pub left: &'a AtomSelection,
    pub right: &'a AtomSelection,
    pub cutoff: f32,
    pub options: SpatialSearchOptions,
    pub periodic: Option<&'a PeriodicBox>,
    pub context: &'a ExecutionContext,
}

Everything a fixed-radius query needs, so a reduction takes three arguments.

Fields

positions: &'a [[f32; 3]]

Coordinates that every index in both selections refers to.

left: &'a AtomSelection

The selection each pair’s first endpoint is drawn from.

right: &'a AtomSelection

The selection each pair’s second endpoint is drawn from.

cutoff: f32

The inclusive distance within which two atoms form a pair.

options: SpatialSearchOptions

Backend and grid selection.

periodic: Option<&'a PeriodicBox>

The periodic cell to apply the minimum image convention over, if any.

context: &'a ExecutionContext

Shared execution budget and native worker pool.

Trait Implementations

impl<'a> Clone for PairQuery<'a>

fn clone(&self) -> Self

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl<'a> Copy for PairQuery<'a>

impl<'a> Debug for PairQuery<'a>

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

Formats the value using the given formatter.