Struct PolymerEnsemble 

pub struct PolymerEnsemble { /* private fields */ }

A collection of polymer chains representing a polydisperse sample.

Implementations

impl PolymerEnsemble

pub fn new(chains: Vec<PolymerChain>) -> Result<Self, PolySimError>

Creates a new ensemble from a vector of chains.

Errors

Returns PolySimError::EmptyEnsemble if chains is empty.

pub fn chains(&self) -> &[PolymerChain]

Returns a reference to the individual chains.

pub fn len(&self) -> usize

Number of chains in the ensemble (always ≥ 1).

pub fn is_empty(&self) -> bool

Always returns false — an ensemble is guaranteed non-empty by construction.

pub fn mn(&self) -> f64

Number-average molecular weight: Mn = Σ Mi / N

pub fn mw(&self) -> f64

Weight-average molecular weight: Mw = Σ Mi² / Σ Mi

pub fn pdi(&self) -> f64

Polydispersity index: PDI = Mw / Mn

Trait Implementations

impl Clone for PolymerEnsemble

fn clone(&self) -> PolymerEnsemble

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for PolymerEnsemble

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

Formats the value using the given formatter.