Struct SamplingGeometry 

pub struct SamplingGeometry {
    pub modality: MobilityModality,
    pub inv_mobility: Vec<f64>,
}

The instrument’s mobility sampling geometry. For Tims, inv_mobility holds the per-scan 1/K0 grid in ascending order (the order the gaussian occurrence kernel expects internally). project_mobility_ion returns scan indices as positions into this ascending vector; callers that need native (descending) Bruker scan numbers map at the device boundary.

Fields

modality: MobilityModality

inv_mobility: Vec<f64>

Implementations

impl SamplingGeometry

pub fn none() -> Self

A non-IMS geometry (single virtual scan).

pub fn tims(inv_mobility: Vec<f64>) -> Self

A timsTOF geometry from a per-scan 1/K0 grid.

pub fn from_scans(scans: &[ScansSim]) -> Self

Build a timsTOF geometry from the reference dataset’s scans table. The 1/K0 values are sorted ascending to satisfy the kernel’s input contract regardless of the table’s native scan ordering. Non-finite mobilities are dropped (rather than panicking the sort).

pub fn num_scans(&self) -> usize

Number of scans in the grid (1 for the marginalised non-IMS case).

Trait Implementations

impl Clone for SamplingGeometry

fn clone(&self) -> SamplingGeometry

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for SamplingGeometry

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

Formats the value using the given formatter.