Struct TabulatedPoint 

pub struct TabulatedPoint { /* private fields */ }

Drive a species’ distance to a centre, ξ = ‖x − c‖, to an arbitrary target density supplied as a grid {(ξᵢ, ρᵢ)} (a prescribed radial profile).

Implementations

impl TabulatedPoint

pub fn new(center: [F; 3], strength: F, xs: &[F], rho: &[F]) -> Self

• center — the point c distances are measured from.
• strength — overall penalty multiplier.
• xs, rho — target radial density grid (ξ = r strictly ascending, ρ ≥ 0).

Panics

If the grid is invalid.

Trait Implementations

impl Clone for TabulatedPoint

fn clone(&self) -> TabulatedPoint

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for TabulatedPoint

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

Formats the value using the given formatter.

impl Restraint for TabulatedPoint

fn f(&self, coords: &[[F; 3]], _scale: F, _scale2: F) -> F

Penalty value for the group’s current configuration.

fn fg( &self, coords: &[[F; 3]], _scale: F, _scale2: F, grads: &mut [[F; 3]], ) -> F

Fused value + gradient. Accumulates ∂L/∂coords[i] INTO grads[i] with +=; returns the same value f would. grads.len() == coords.len().

fn name(&self) -> &'static str

Human-readable identifier.

fn is_parallel_safe(&self) -> bool

If false, the scheduler serializes this restraint (Python-backed collective restraints MUST return false).