Function index

pub fn index(m: &Molecule) -> u32

Computes the assembly index of a molecule using an effecient bounding strategy

Example

// Read a molecule data file
let molfile = fs::read_to_string(path).expect("Cannot read input file.");
let benzene = loader::parse_molfile_str(&molfile).expect("Cannot parse molfile.");

// Compute assembly index of benzene
assert_eq!(assembly::index(&benzene), 3);