Struct gchemol_neighbors::Neighborhood

pub struct Neighborhood { /* fields omitted */ }

Neighborhood is a neighboring nodes detector, for given cutoff distance.

Methods

impl Neighborhood

pub fn new() -> Self

Constructs a neighborhood detector using the given cutoff distance.

pub fn update<I>(&mut self, iter: I) where
    I: IntoIterator<Item = (usize, Point)>, 

Automatically build and update Neighborhood with contents of an iterator.

The position of a point is associated with a permanent key in type of usize.

pub fn neighbors(
    &self,
    n: usize,
    radius: f64
) -> impl Iterator<Item = Neighbor> + '_

Return a list of the nodes connected to the node n.

Parameters

• n: the key of host node for searching neighbors
• radius: cutoff radius distance

pub fn search(
    &self,
    pt: Point,
    radius: f64
) -> impl Iterator<Item = Neighbor> + '_

Return neighbors of a particle pt within distance cutoff radius.

pub fn npoints(&self) -> usize

Return current number of points.

pub fn set_lattice(&mut self, mat: [[f64; 3]; 3])

Set lattice for applying periodic boundary conditions

Trait Implementations

impl Clone for Neighborhood

fn clone(&self) -> Neighborhood

Returns a copy of the value.

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

Performs copy-assignment from source.

impl Debug for Neighborhood

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

Formats the value using the given formatter.

impl Default for Neighborhood

fn default() -> Neighborhood

Returns the "default value" for a type.