Struct ConjugatedComponent 

pub struct ConjugatedComponent {
    pub atoms: Vec<AtomIdx>,
    pub bonds: Vec<BondIdx>,
    pub source_rings: Vec<usize>,
}

A candidate conjugated system: some atoms/bonds evaluated together as one pi-electron-counting problem (Aromaticity-A1-1a). Two distinct uses:

• a single SSSR/augmented ring, reinterpreted as a trivial one-ring candidate (what trace_ring_pi_electrons builds today);
• a genuine multi-ring fused envelope, built by build_conjugated_components as a connected component of the “conjugation graph” (double/aromatic-bonded atoms, plus lone-pair-donor atoms bridging across single bonds) – the azulene-class candidate augmented_ring_set’s own docstring already named as future work (“candidate rings = SSSR ∪ fused envelopes”).

Fields

atoms: Vec<AtomIdx>

bonds: Vec<BondIdx>

source_rings: Vec<usize>

Ring indices (into whatever ring list the caller built this from) this candidate derives from – one entry for a plain single-ring candidate, 2+ for a fused envelope spanning multiple rings.

Trait Implementations

impl Clone for ConjugatedComponent

fn clone(&self) -> ConjugatedComponent

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for ConjugatedComponent

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

Formats the value using the given formatter.