Struct CompoundPeptidoformIon 

pub struct CompoundPeptidoformIon(/* private fields */);

A single full ProForma entry. This entry can contain multiple sets of cross-linked peptides. A single set of cross-linked peptides is a PeptidoformIon. A ProForma entry with two chimeric peptides will be saved as one CompoundPeptidoformIon with two PeptidoformIons that each contain one of the Peptidoforms.

Implementations

impl CompoundPeptidoformIon

pub fn new(iter: impl IntoIterator<Item = PeptidoformIon>) -> Option<Self>

Create a new CompoundPeptidoformIon from many Peptidoforms. This returns None if the global isotope modifications of all peptidoforms are not identical.

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

Get all possible formulas for this compound peptidoform

pub fn singular(self) -> Option<PeptidoformIon>

Assume there is exactly one peptidoform in this compound peptidoform.

pub fn singular_ref(&self) -> Option<&PeptidoformIon>

Assume there is exactly one peptidoform in this compound peptidoform.

pub fn singular_peptidoform(self) -> Option<Peptidoform<Linked>>

Assume there is exactly one peptide in this compound peptidoform.

pub fn singular_peptidoform_ref(&self) -> Option<&Peptidoform<Linked>>

Assume there is exactly one peptide in this compound peptidoform.

pub fn peptidoform_ions(&self) -> &[PeptidoformIon]

Get all peptidoform ions making up this compound peptidoform.

pub fn peptidoforms(&self) -> impl Iterator<Item = &Peptidoform<Linked>>

Get all peptidoforms making up this compound peptidoform.

pub fn generate_theoretical_fragments( &self, max_charge: Charge, model: &FragmentationModel, ) -> Vec<Fragment>

Generate the theoretical fragments for this compound peptidoform.

pub fn display( &self, f: &mut impl Write, specification_compliant: bool, ) -> Result

Display this compound peptidoform. specification_compliant Displays this compound peptidoform either normalised to the internal representation (with false) or as fully spec compliant ProForma (no glycan structure or custom modifications) (with true).

Errors

Only if the underlying formatter (f) errors.

impl CompoundPeptidoformIon

pub fn pro_forma<'a>( value: &'a str, custom_database: Option<&CustomDatabase>, ) -> Result<Self, BoxedError<'a, BasicKind>>

Parse a compound peptidoform in the ProForma specification.

Errors

It fails when the string is not a valid ProForma string.

Trait Implementations

impl Clone for CompoundPeptidoformIon

fn clone(&self) -> CompoundPeptidoformIon

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for CompoundPeptidoformIon

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

Formats the value using the given formatter.

impl Default for CompoundPeptidoformIon

fn default() -> CompoundPeptidoformIon

Returns the “default value” for a type.

impl<'de> Deserialize<'de> for CompoundPeptidoformIon

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Display for CompoundPeptidoformIon

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

Formats the value using the given formatter.

impl<Complexity> From<Peptidoform<Complexity>> for CompoundPeptidoformIon

fn from(value: Peptidoform<Complexity>) -> Self

Converts to this type from the input type.

impl From<PeptidoformIon> for CompoundPeptidoformIon

fn from(value: PeptidoformIon) -> Self

Converts to this type from the input type.

impl<Complexity> From<Vec<Peptidoform<Complexity>>> for CompoundPeptidoformIon

fn from(value: Vec<Peptidoform<Complexity>>) -> Self

Converts to this type from the input type.

impl HasCompoundPeptidoformIon for &CompoundPeptidoformIon

fn compound_peptidoform_ion(&self) -> &CompoundPeptidoformIon

Get a reference to a compound peptidoform ion.

impl HasCompoundPeptidoformIon for CompoundPeptidoformIon

fn compound_peptidoform_ion(&self) -> &Self

Get a reference to a compound peptidoform ion.

impl Hash for CompoundPeptidoformIon

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 CompoundPeptidoformIon

fn cmp(&self, other: &CompoundPeptidoformIon) -> 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,

Restrict a value to a certain interval.

impl PartialEq for CompoundPeptidoformIon

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

Tests for self and other values to be equal, and is used by ==.

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

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

impl PartialOrd for CompoundPeptidoformIon

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

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

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

Tests less than (for self and other) and is used by the < operator.

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

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

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

Tests greater than (for self and other) and is used by the > operator.

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

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

impl Serialize for CompoundPeptidoformIon

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 CompoundPeptidoformIon

impl StructuralPartialEq for CompoundPeptidoformIon