polysim_core/distribution/
mod.rs

1//! Chain length distribution models for polydisperse polymer ensembles.
2//!
3//! Each distribution implements [`ChainLengthDistribution`] and can sample
4//! repeat-unit counts given target Mn, PDI, and repeat-unit molar mass.
5
6pub mod flory;
7pub mod log_normal;
8pub mod schulz_zimm;
9
10pub use flory::Flory;
11pub use log_normal::LogNormal;
12pub use schulz_zimm::SchulzZimm;
13
14use rand::RngCore;
15
16/// A distribution that can sample chain lengths (as repeat-unit counts).
17pub trait ChainLengthDistribution {
18    /// Sample `num_chains` chain lengths (each ≥ 1).
19    ///
20    /// - `mn` — target number-average molecular weight (g/mol).
21    /// - `pdi` — target polydispersity index (Mw/Mn, ≥ 1.0).
22    /// - `m0` — molar mass of a single repeat unit (g/mol).
23    /// - `rng` — random number generator (pass a seeded RNG for reproducibility).
24    fn sample(
25        &self,
26        mn: f64,
27        pdi: f64,
28        m0: f64,
29        num_chains: usize,
30        rng: &mut dyn RngCore,
31    ) -> Vec<usize>;
32
33    /// Human-readable name for display purposes.
34    fn name(&self) -> &'static str;
35}
polysim_core/distribution/mod.rs

polysim_core/distribution/
mod.rs
