Struct rustyms::model::Model

pub struct Model {
    pub a: (Location, Vec<NeutralLoss>),
    pub b: (Location, Vec<NeutralLoss>),
    pub c: (Location, Vec<NeutralLoss>),
    pub d: (Location, Vec<NeutralLoss>),
    pub v: (Location, Vec<NeutralLoss>),
    pub w: (Location, Vec<NeutralLoss>),
    pub x: (Location, Vec<NeutralLoss>),
    pub y: (Location, Vec<NeutralLoss>),
    pub z: (Location, Vec<NeutralLoss>),
    pub precursor: Vec<NeutralLoss>,
    pub ppm: MassOverCharge,
    pub glycan_fragmentation: Option<Vec<NeutralLoss>>,
}

A model for the fragmentation, allowing control over what theoretical fragments to generate.

Fields

a: (Location, Vec<NeutralLoss>)

a series ions

b: (Location, Vec<NeutralLoss>)

b series ions

c: (Location, Vec<NeutralLoss>)

c series ions

d: (Location, Vec<NeutralLoss>)

d series ions (side chain fragmentation from a)

v: (Location, Vec<NeutralLoss>)

v series ions (full side chain broken off)

w: (Location, Vec<NeutralLoss>)

w series ions (side chain fragmentation from z)

x: (Location, Vec<NeutralLoss>)

x series ions

y: (Location, Vec<NeutralLoss>)

y series ions

z: (Location, Vec<NeutralLoss>)

z series ions

precursor: Vec<NeutralLoss>

precursor ions

ppm: MassOverCharge

The matching tolerance

glycan_fragmentation: Option<Vec<NeutralLoss>>

If some search for glycan with the given neutral losses

Implementations

impl Model

pub fn ions(&self, index: usize, length: usize) -> PossibleIons<'_>

Give all possible ions for the given position

pub fn new( a: (Location, Vec<NeutralLoss>), b: (Location, Vec<NeutralLoss>), c: (Location, Vec<NeutralLoss>), d: (Location, Vec<NeutralLoss>), v: (Location, Vec<NeutralLoss>), w: (Location, Vec<NeutralLoss>), x: (Location, Vec<NeutralLoss>), y: (Location, Vec<NeutralLoss>), z: (Location, Vec<NeutralLoss>), precursor: Vec<NeutralLoss>, ppm: MassOverCharge, glycan_fragmentation: Option<Vec<NeutralLoss>> ) -> Self

Build a new model

pub fn all() -> Self

Generate all possible fragments

pub fn none() -> Self

Generate no fragments (except for precursor)

pub fn ethcd() -> Self

electron-transfer/higher-energy collisional dissociation

pub fn cid_hcd() -> Self

CID Hcd

pub fn etcid() -> Self

ETCID

pub fn etd() -> Self

ETD

Trait Implementations

impl Clone for Model

fn clone(&self) -> Model

Returns a copy of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for Model

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

Formats the value using the given formatter.

impl PartialEq for Model

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

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

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

This method tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

impl StructuralPartialEq for Model