Struct PeptideSequence

pub struct PeptideSequence {
    pub sequence: String,
    pub peptide_id: Option<i32>,
}

Fields

sequence: String

peptide_id: Option<i32>

Implementations

impl PeptideSequence

pub fn new(raw_sequence: String, peptide_id: Option<i32>) -> Self

pub fn mono_isotopic_mass(&self) -> f64

pub fn atomic_composition(&self) -> HashMap<&str, i32>

pub fn to_tokens(&self, group_modifications: bool) -> Vec<String>

pub fn to_sage_representation(&self) -> (String, Vec<f64>)

pub fn amino_acid_count(&self) -> usize

pub fn calculate_mono_isotopic_product_ion_spectrum( &self, charge: i32, fragment_type: FragmentType, ) -> MzSpectrum

pub fn calculate_mono_isotopic_product_ion_spectrum_annotated( &self, charge: i32, fragment_type: FragmentType, ) -> MzSpectrumAnnotated

pub fn calculate_isotopic_product_ion_spectrum( &self, charge: i32, fragment_type: FragmentType, mass_tolerance: f64, abundance_threshold: f64, max_result: i32, intensity_min: f64, ) -> MzSpectrum

pub fn calculate_isotopic_product_ion_spectrum_annotated( &self, charge: i32, fragment_type: FragmentType, mass_tolerance: f64, abundance_threshold: f64, max_result: i32, intensity_min: f64, ) -> MzSpectrumAnnotated

pub fn calculate_product_ion_series( &self, target_charge: i32, fragment_type: FragmentType, ) -> PeptideProductIonSeries

pub fn associate_with_predicted_intensities( &self, charge: i32, fragment_type: FragmentType, flat_intensities: Vec<f64>, normalize: bool, half_charge_one: bool, ) -> PeptideProductIonSeriesCollection

Trait Implementations

impl<'__de> BorrowDecode<'__de> for PeptideSequence

fn borrow_decode<__D: BorrowDecoder<'__de>>( decoder: &mut __D, ) -> Result<Self, DecodeError>

Attempt to decode this type with the given BorrowDecode.

impl Clone for PeptideSequence

fn clone(&self) -> PeptideSequence

Returns a copy of the value.

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

Performs copy-assignment from source.

impl Debug for PeptideSequence

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

Formats the value using the given formatter.

impl Decode for PeptideSequence

fn decode<__D: Decoder>(decoder: &mut __D) -> Result<Self, DecodeError>

Attempt to decode this type with the given Decode.

impl<'de> Deserialize<'de> for PeptideSequence

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Encode for PeptideSequence

fn encode<__E: Encoder>(&self, encoder: &mut __E) -> Result<(), EncodeError>

Encode a given type.

impl Serialize for PeptideSequence

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

where __S: Serializer,

Serialize this value into the given Serde serializer.