Struct TimsTofLazyFrameBuilderDDA 

pub struct TimsTofLazyFrameBuilderDDA {
    pub db_path: String,
    pub frames: Vec<FramesSim>,
    pub scans: Vec<ScansSim>,
    pub precursor_frame_id_set: HashSet<u32>,
    pub frame_to_rt: BTreeMap<u32, f32>,
    pub scan_to_mobility: BTreeMap<u32, f32>,
    pub transmission_settings: TimsTransmissionDDA,
    pub num_threads: usize,
}

A lazy frame builder for DDA experiments that only loads data as needed.

Unlike TimsTofSyntheticsFrameBuilderDDA, this struct does not load all peptides, ions, and fragment ions into memory at construction time. Instead, it stores only the static metadata (frame info, scan info, transmission settings) and loads peptide/ion data on-demand for each batch of frames being built.

This can significantly reduce memory usage for large simulations.

Fields

db_path: String

Path to the SQLite database

frames: Vec<FramesSim>

Frame metadata (id, time, ms_type)

scans: Vec<ScansSim>

Scan metadata (scan_id, mobility)

precursor_frame_id_set: HashSet<u32>

Set of precursor frame IDs for quick lookup

frame_to_rt: BTreeMap<u32, f32>

Map from frame_id to retention_time

scan_to_mobility: BTreeMap<u32, f32>

Map from scan_id to mobility

transmission_settings: TimsTransmissionDDA

DDA transmission settings (includes PASEF metadata with collision energies)

num_threads: usize

Number of threads for parallel processing

Implementations

impl TimsTofLazyFrameBuilderDDA

pub fn new(path: &Path, num_threads: usize) -> Result<Self>

Create a new lazy frame builder for DDA.

Only loads static metadata (frames, scans, transmission settings). Peptides, ions, and fragment ions are NOT loaded here.

Arguments

• path - Path to the SQLite database
• num_threads - Number of threads for parallel operations

Returns

Result containing the lazy frame builder

pub fn build_frames_lazy( &self, frame_ids: Vec<u32>, fragmentation: bool, mz_noise_precursor: bool, uniform: bool, precursor_noise_ppm: f64, mz_noise_fragment: bool, fragment_noise_ppm: f64, right_drag: bool, ) -> Vec<TimsFrame>

Build frames for a range of frame IDs.

This method loads only the data needed for the specified frames, builds the frames, and then releases the loaded data.

Arguments

• frame_ids - Vector of frame IDs to build
• fragmentation - Whether to include fragmentation
• mz_noise_precursor - Whether to add m/z noise to precursor ions
• uniform - Whether to use uniform noise distribution
• precursor_noise_ppm - Precursor noise in ppm
• mz_noise_fragment - Whether to add m/z noise to fragment ions
• fragment_noise_ppm - Fragment noise in ppm
• right_drag - Whether to use right drag for noise

Returns

Vector of built TimsFrame instances

pub fn get_collision_energy(&self, frame_id: i32, scan_id: i32) -> f64

Get collision energy for a frame/scan combination from PASEF metadata.

pub fn num_frames(&self) -> usize

Get the total number of frames.

pub fn frame_ids(&self) -> Vec<u32>

Get all frame IDs.

pub fn precursor_frame_ids(&self) -> Vec<u32>

Get precursor frame IDs.

pub fn fragment_frame_ids(&self) -> Vec<u32>

Get fragment frame IDs.