Struct PolymerChain 

pub struct PolymerChain {
    pub smiles: String,
    pub repeat_count: usize,
    pub mn: f64,
}

A single, fully resolved polymer chain instance.

A PolymerChain is the output of a builder: it holds the concrete SMILES string for the generated chain together with metadata computed at build time.

Fields

smiles: String

SMILES string representing this specific chain.

repeat_count: usize

Number of repeat units incorporated into the chain.

mn: f64

Number-average molecular weight in g/mol.

Currently 0.0 until properties::molecular_weight is implemented.

Implementations

impl PolymerChain

pub fn new(smiles: String, repeat_count: usize, mn: f64) -> Self

Creates a new PolymerChain with the given SMILES, repeat count, and Mn.

Trait Implementations

impl Clone for PolymerChain

fn clone(&self) -> PolymerChain

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for PolymerChain

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

Formats the value using the given formatter.

impl Display for PolymerChain

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

Formats the value using the given formatter.