mscore::algorithm::peptide

Function fragments_to_composition

Source 
pub fn fragments_to_composition(
    product_ions: Vec<PeptideProductIon>,
    num_threads: usize,
) -> Vec<Vec<(String, i32)>>
Expand description

calculate the atomic composition of a peptide product ion series Arguments:

  • product_ions - a vector of PeptideProductIon instances

  • num_threads - an usize representing the number of threads to use Returns:

  • Vec<Vec<(String, i32)>> - a vector of vectors of tuples representing the atomic composition of each product ion