Struct BranchedBuilder 

pub struct BranchedBuilder { /* private fields */ }

Builder for non-linear polymer architectures (branched, graft, macromonomer).

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 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, ) -> 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).

pub fn macromonomer(&self) -> Result<PolymerChain, PolySimError>

Generates a macromonomer: a single branch/side chain with a polymerisable end group.