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 formulas(&self, selected_ambiguous: &[usize]) -> Multi<MolecularFormula>

Get the molecular formulas for this position with the selected ambiguous modifications, without any global isotype modifications

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

Get the molecular formulas for this position with the ambiguous modifications placed on the very first placed (and updating this in placed), without any global isotype modifications

pub fn formulas_all(&self) -> Multi<MolecularFormula>

Get the molecular formulas for this position with all ambiguous modifications, without any global isotype modifications

pub fn formulas_all_options(&self) -> Multi<MolecularFormula>

Get the molecular formulas for this position, with all formulas for the amino acids combined with all options for the modifications. If you have 2 options for amino acid mass (B or Z) and 2 ambiguous modifications that gives you 8 total options for the mass. (2 AA * 2 amb1 * 2 amb2)

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<'de> Deserialize<'de> for SequenceElement

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl<T> From<T> for SequenceElement

where T: Into<AminoAcid>,

fn from(value: T) -> Self

Converts to this type from the input type.

impl Hash for SequenceElement

fn hash<__H: Hasher>(&self, state: &mut __H)

Feeds this value into the given Hasher.

fn hash_slice<H>(data: &[Self], state: &mut H)

where H: Hasher, Self: Sized,

Feeds a slice of this type into the given Hasher.

impl Ord for SequenceElement

fn cmp(&self, other: &SequenceElement) -> Ordering

This method returns an Ordering between self and other.

fn max(self, other: Self) -> Self

where Self: Sized,

Compares and returns the maximum of two values.

fn min(self, other: Self) -> Self

where Self: Sized,

Compares and returns the minimum of two values.

fn clamp(self, min: Self, max: Self) -> Self

where Self: Sized + PartialOrd,

Restrict a value to a certain interval.

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 PartialOrd for SequenceElement

fn partial_cmp(&self, other: &SequenceElement) -> Option<Ordering>

This method returns an ordering between self and other values if one exists.

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

This method tests less than (for self and other) and is used by the < operator.

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

This method tests less than or equal to (for self and other) and is used by the <= operator.

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

This method tests greater than (for self and other) and is used by the > operator.

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

This method tests greater than or equal to (for self and other) and is used by the >= operator.

impl Serialize for SequenceElement

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

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl Eq for SequenceElement

impl StructuralPartialEq for SequenceElement