pub fn total_atom_count(chain: &PolymerChain) -> usizeExpand description
Nombre total d’atomes dans la chaîne (atomes lourds + hydrogènes implicites/explicites).
§Exemple
use polysim_core::{parse, builder::{linear::LinearBuilder, BuildStrategy},
properties::formula::total_atom_count};
let bs = parse("{[]CC[]}").unwrap();
let chain = LinearBuilder::new(bs, BuildStrategy::ByRepeatCount(1))
.homopolymer()
.unwrap();
// CC = éthane C₂H₆ → 2 + 6 = 8 atomes
assert_eq!(total_atom_count(&chain), 8);