Struct msn_kit::spectrum::Spectrum

pub struct Spectrum {
    pub metadata: HashMap<String, String>,
    pub mz: Vec<f64>,
    pub intensities: Vec<f64>,
}

Examples

The simplest spectrum with a single peak.

use std::collections::HashMap;

let s = msn_kit::spectrum::Spectrum::new(HashMap::<String, String>::new(), vec![1.0], vec![1.0]);
assert_eq!(s.mz, vec![1.0]);
assert_eq!(s.intensities, vec![1.0]);

Fields

metadata: HashMap<String, String>

mz: Vec<f64>

intensities: Vec<f64>

Implementations

impl Spectrum

pub fn new(
    metadata: HashMap<String, String>,
    mz: Vec<f64>,
    intensities: Vec<f64>
) -> Self

Create a new Spectrum.

Arguments

• metadata - The map of keys to values of the metadata.
• mz - The mass to charge ratio vector.
• intensities - The intensities vector.

pub fn empty() -> Self

Returns an empty is Spectrum.

pub fn is_empty(&self) -> bool

Returns true if the Spectrum is empty.

pub fn add_metadata_field(&mut self, s: String, v: String) -> &mut Self

Adds a key/value pair to the metadata.

pub fn add_mzs(&mut self, mz: Vec<f64>) -> &mut Self

Adds a vector of mzs.

pub fn add_intensities(&mut self, intensities: Vec<f64>) -> &mut Self

Adds a vector of intensities.

Trait Implementations

impl Debug for Spectrum

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for Spectrum

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error> where
    __D: Deserializer<'de>, 

Deserialize this value from the given Serde deserializer.

impl PartialEq<Spectrum> for Spectrum

fn eq(&self, other: &Spectrum) -> bool

This method tests for self and other values to be equal, and is used by ==.

fn ne(&self, other: &Spectrum) -> bool

This method tests for !=.

impl Serialize for Spectrum

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error> where
    __S: Serializer, 

Serialize this value into the given Serde serializer.

impl StructuralPartialEq for Spectrum