Struct mzsignal::reprofile::PeakShapeModel

pub struct PeakShapeModel<'lifespan> {
    pub peak: Cow<'lifespan, FittedPeak>,
    pub shape: PeakShape,
}

A model for predicting the signal shape given a fitted peak as a set of model parameters

Fields

peak: Cow<'lifespan, FittedPeak>

shape: PeakShape

Implementations

impl<'lifespan> PeakShapeModel<'lifespan>

pub fn from_centroid( mz: f64, intensity: f32, full_width_at_half_max: f32, shape: PeakShape ) -> PeakShapeModel<'lifespan>

pub fn new(peak: Cow<'lifespan, FittedPeak>, shape: PeakShape) -> Self

pub fn gaussian(peak: &FittedPeak) -> PeakShapeModel<'_>

Create a PeakShape::Gaussian PeakShapeModel

pub fn predict(&self, mz: &f64) -> f32

Estimate the intensity of this peak at mz, relative to the position of the model peak

pub fn shape(&self, dx: f64) -> (Vec<f64>, Vec<f32>)

Generate a theoretical peak shape signal with m/z and intensity arrays

pub fn shape_in(&self, mz_array: &[f64], intensity_array: &mut [f32])

Generate a theoretical peak shape signal with m/z arrays in mz_array and adds the theoretical intensity to intensity_array

pub fn area(&self, dx: f64) -> f32

Calculate the area of the peak shape estimated with an m/z spacing of dx

pub fn center(&self) -> f64

pub fn extremes(&self) -> (f64, f64)

Approximate the lower and upper m/zs at which this peak no longer detectable

Trait Implementations

impl<'lifespan> Clone for PeakShapeModel<'lifespan>

fn clone(&self) -> PeakShapeModel<'lifespan>

Returns a copy of the value.

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

Performs copy-assignment from source.

impl<'lifespan> CoordinateLike<MZ> for PeakShapeModel<'lifespan>

fn coordinate(&self) -> f64

The trait method for accessing the coordinate of the object on coordinate system T

impl<'lifespan> Debug for PeakShapeModel<'lifespan>

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

Formats the value using the given formatter.

impl<'lifespan> From<&'lifespan FittedPeak> for PeakShapeModel<'lifespan>

fn from(peak: &'lifespan FittedPeak) -> PeakShapeModel<'lifespan>

Converts to this type from the input type.

impl From<FittedPeak> for PeakShapeModel<'static>

fn from(value: FittedPeak) -> Self

Converts to this type from the input type.

impl<'lifespan> IndexedCoordinate<MZ> for PeakShapeModel<'lifespan>

fn get_index(&self) -> IndexType

fn set_index(&mut self, _index: IndexType)

impl<'lifespan> IntensityMeasurement for PeakShapeModel<'lifespan>

fn intensity(&self) -> f32

impl<'lifespan> Ord for PeakShapeModel<'lifespan>

fn cmp(&self, other: &Self) -> 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<'lifespan> PartialEq for PeakShapeModel<'lifespan>

fn eq(&self, other: &PeakShapeModel<'lifespan>) -> 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<'lifespan> PartialOrd for PeakShapeModel<'lifespan>

fn partial_cmp(&self, other: &PeakShapeModel<'lifespan>) -> 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<'a> Eq for PeakShapeModel<'a>