Struct TimsTofSyntheticsDataHandle

pub struct TimsTofSyntheticsDataHandle {
    pub connection: Connection,
}

Fields

connection: Connection

Implementations

impl TimsTofSyntheticsDataHandle

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

pub fn read_frames(&self) -> Result<Vec<FramesSim>>

pub fn read_scans(&self) -> Result<Vec<ScansSim>>

pub fn read_peptides(&self) -> Result<Vec<PeptidesSim>>

pub fn read_ions(&self) -> Result<Vec<IonSim>>

pub fn read_window_group_settings(&self) -> Result<Vec<WindowGroupSettingsSim>>

pub fn read_frame_to_window_group(&self) -> Result<Vec<FrameToWindowGroupSim>>

pub fn read_fragment_ions(&self) -> Result<Vec<FragmentIonSim>>

pub fn get_transmission_dia(&self) -> TimsTransmissionDIA

pub fn get_collision_energy_dia(&self) -> TimsTofCollisionEnergyDIA

pub fn get_transmitted_ions( &self, num_threads: usize, ) -> (Vec<i32>, Vec<i32>, Vec<String>, Vec<i8>, Vec<f32>)

pub fn build_peptide_to_ion_map( ions: &Vec<IonSim>, ) -> BTreeMap<u32, Vec<IonSim>>

Method to build a map from peptide id to ions

pub fn build_peptide_map( peptides: &Vec<PeptidesSim>, ) -> BTreeMap<u32, PeptidesSim>

Method to build a map from peptide id to events (absolute number of events in the simulation)

pub fn build_precursor_frame_id_set(frames: &Vec<FramesSim>) -> HashSet<u32>

Method to build a set of precursor frame ids, can be used to check if a frame is a precursor frame

pub fn build_peptide_to_events( peptides: &Vec<PeptidesSim>, ) -> BTreeMap<u32, f32>

pub fn build_frame_to_rt(frames: &Vec<FramesSim>) -> BTreeMap<u32, f32>

pub fn build_scan_to_mobility(scans: &Vec<ScansSim>) -> BTreeMap<u32, f32>

pub fn build_frame_to_abundances( peptides: &Vec<PeptidesSim>, ) -> BTreeMap<u32, (Vec<u32>, Vec<f32>)>

pub fn build_peptide_to_ions( ions: &Vec<IonSim>, ) -> BTreeMap<u32, (Vec<f32>, Vec<Vec<u32>>, Vec<Vec<f32>>, Vec<i8>, Vec<MzSpectrum>)>

pub fn build_fragment_ions( peptides_sim: &BTreeMap<u32, PeptidesSim>, fragment_ions: &Vec<FragmentIonSim>, num_threads: usize, ) -> BTreeMap<(u32, i8, i8), (PeptideProductIonSeriesCollection, Vec<MzSpectrum>)>

pub fn build_fragment_ions_annotated( peptides_sim: &BTreeMap<u32, PeptidesSim>, fragment_ions: &Vec<FragmentIonSim>, num_threads: usize, ) -> BTreeMap<(u32, i8, i8), (PeptideProductIonSeriesCollection, Vec<MzSpectrumAnnotated>)>

Trait Implementations

impl Debug for TimsTofSyntheticsDataHandle

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

Formats the value using the given formatter.