Struct rustyms::SequenceElement

pub struct SequenceElement {
    pub aminoacid: AminoAcid,
    pub modifications: Vec<Modification>,
    pub possible_modifications: Vec<AmbiguousModification>,
    pub ambiguous: Option<usize>,
}

One block in a sequence meaning an aminoacid and its accompanying modifications

Fields

aminoacid: AminoAcid

The aminoacid

modifications: Vec<Modification>

All present modifications

possible_modifications: Vec<AmbiguousModification>

All ambiguous modifications (could be placed here or on another position)

ambiguous: Option<usize>

If this aminoacid is part of an ambiguous sequence group (QA)? in pro forma

Implementations

impl SequenceElement

pub const fn new(aminoacid: AminoAcid, ambiguous: Option<usize>) -> Self

Create a new aminoacid without any modifications

pub fn formula(&self, selected_ambiguous: &[usize]) -> Option<MolecularFormula>

Get the molecular formula for this position (unless it is B/Z) with the selected ambiguous modifications, without any global isotype modifications

pub fn formula_greedy(&self, placed: &mut [bool]) -> Option<MolecularFormula>

Get the molecular formula for this position (unless it is B/Z) with the ambiguous modifications placed on the very first placed (and updating this in placed), without any global isotype modifications

pub fn formula_all(&self) -> Option<MolecularFormula>

Get the molecular formula for this position (unless it is B/Z) with all ambiguous modifications, without any global isotype modifications

Trait Implementations

impl Clone for SequenceElement

fn clone(&self) -> SequenceElement

Returns a copy of the value.

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

Performs copy-assignment from source.

impl Debug for SequenceElement

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

Formats the value using the given formatter.

impl PartialEq for SequenceElement

fn eq(&self, other: &SequenceElement) -> 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 SequenceElement