Function generate_isotope_pattern

pub fn generate_isotope_pattern(
    lower_bound: f64,
    upper_bound: f64,
    mass: f64,
    charge: f64,
    amp: f64,
    k: usize,
    sigma: f64,
    resolution: i32,
) -> (Vec<f64>, Vec<f64>)

generate the isotope pattern for a given mass and charge

Arguments:

• lower_bound - lower bound of the isotope pattern
• upper_bound - upper bound of the isotope pattern
• mass - mass of the peptide
• charge - charge of the peptide
• amp - amplitude of the isotope pattern
• k - number of isotopes to consider
• sigma - standard deviation of the normal distribution
• resolution - resolution of the isotope pattern

Returns:

• (Vec<f64>, Vec<f64>) - isotope pattern

Examples

use mscore::algorithm::isotope::generate_isotope_pattern;

let (mzs, intensities) = generate_isotope_pattern(1500.0, 1510.0, 3000.0, 2.0, 1e4, 10, 1.0, 3);