Struct BranchedBuilder 

pub struct BranchedBuilder { /* private fields */ }

Builder for non-linear polymer architectures (comb, graft, star, dendrimer).

Unlike LinearBuilder, this builder takes two BigSMILES strings: one for the backbone and one for the branch.

Implementations

impl BranchedBuilder

pub fn new( backbone: BigSmiles, branch: BigSmiles, strategy: BuildStrategy, ) -> Self

Creates a new builder from backbone and branch BigSMILES strings plus a build strategy that governs the backbone length.

pub fn seed(self, seed: u64) -> Self

Set a random seed for reproducible generation.

pub fn comb_polymer( &self, branch_every: usize, ) -> Result<PolymerChain, PolySimError>

Generates a comb (regularly branched) polymer.

branch_every – attach one branch every N backbone repeat units.

pub fn graft_copolymer( &self, graft_fraction: f64, seed: Option<u64>, ) -> Result<PolymerChain, PolySimError>

Generates a graft copolymer (random branch-point placement).

graft_fraction – fraction of backbone repeat units that carry a branch (0.0 = no grafting, 1.0 = every backbone unit is grafted).

seed – optional random seed for reproducibility (overrides builder seed).

pub fn star_polymer(&self, arms: usize) -> Result<PolymerChain, PolySimError>

Generates a star polymer with arms arms radiating from a central atom.

Each arm is a homopolymer of the backbone BigSMILES repeat unit. The arm length is determined by the build strategy.

Supports 3 to 12 arms.

pub fn dendrimer( &self, generation: usize, branching_factor: usize, ) -> Result<PolymerChain, PolySimError>

Generates a dendrimer of the given generation with branching_factor sub-branches per node.

• generation: 1..=6
• branching_factor: number of sub-branches per terminal node (typically 2)