xcorrrs 1.3.0

Reimplmenmentation of Comet's xcorr algorithm.
Documentation 
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use std::fmt::Display;

pub struct ScoringResult {
    pub score: f64,
    pub ions_total: usize,
    pub ions_matched: usize,
    pub min_theoretical_mass: f64,
    pub max_theoretical_mass: f64,
}

impl ScoringResult {
    pub fn round_score(&self, decimals: u16) -> f64 {
        let factor = 10f64.powi(decimals as i32);
        (self.score * factor).round() / factor
    }
}

impl Display for ScoringResult {
    fn fmt(&self, f: &mut std::fmt::Formatter<'_>) -> std::fmt::Result {
        write!(
            f,
            "Score: {:.2}, Ions Total: {}, Ions Matched: {}, Min Mass: {:.2}, Max Mass: {:.2}",
            self.score,
            self.ions_total,
            self.ions_matched,
            self.min_theoretical_mass,
            self.max_theoretical_mass
        )
    }
}