Struct CompositionGrid 

pub struct CompositionGrid { /* private fields */ }

A finite-slab target with per-slab species inventories, an optional immutable substrate, and a Relaxation convention.

Implementations

impl CompositionGrid

pub fn from_stack( stack: &Stack, relaxation: Relaxation, ) -> Result<Self, DynamicError>

Build from a Stack: finite layers become slabs (inventory n_i * thickness, thicknesses kept as given), and a semi-infinite last layer becomes the immutable substrate.

pub fn has_substrate(&self) -> bool

Whether an immutable substrate backs the slabs.

pub fn n_slabs(&self) -> usize

Number of mutable slabs.

pub fn relaxation(&self) -> &Relaxation

The relaxation convention in use.

pub fn thicknesses_m(&self) -> Vec<f64>

Slab thicknesses in m, front first.

pub fn inventory(&self, slab: usize) -> Option<Vec<(u8, f64)>>

Inventory of one slab as (Z, atoms/m^2) sorted by Z.

pub fn seed_energies( &mut self, z: u8, e_d_ev: Option<f64>, e_b_ev: Option<f64>, e_s_ev: Option<f64>, )

Record energies for element z in every slab, for the case that z is (or later becomes) present: only the values that are still unset are filled, so explicit values and defaults already in place are kept. This is how an element that only enters through implantation or recoil mixing (the beam species, a substrate element) gets the displacement, lattice-binding and surface-binding energies the engine requires of every element in a layer.

pub fn total_inventory(&self, z: u8) -> f64

Total areal inventory of element z over all finite slabs, atoms/m². The substrate is not counted. Summed front to back.

pub fn relax(&mut self) -> Result<UpdateOutcome, DynamicError>

Re-relax without changing any inventory; same as apply(&[]).

pub fn apply( &mut self, deltas: &[InventoryDelta], ) -> Result<UpdateOutcome, DynamicError>

Apply inventory deltas, then relax every slab. Transactional: on error the grid is unchanged. See the module docs.

pub fn to_stack(&self) -> Result<Stack, DynamicError>

Convert to the engine’s layer model: contiguous finite layers from the front surface, then the substrate if any.

Trait Implementations

impl Clone for CompositionGrid

fn clone(&self) -> CompositionGrid

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for CompositionGrid

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

Formats the value using the given formatter.

impl PartialEq for CompositionGrid

fn eq(&self, other: &CompositionGrid) -> bool

Equality operator ==.

fn ne(&self, other: &Rhs) -> bool

Inequality operator !=.

impl StructuralPartialEq for CompositionGrid