pub struct TimsTofSyntheticsDataHandle {
pub connection: Connection,
}
Fields§
§connection: Connection
Implementations§
Source§impl TimsTofSyntheticsDataHandle
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>)
Sourcepub fn build_peptide_to_ion_map(
ions: &Vec<IonSim>,
) -> BTreeMap<u32, Vec<IonSim>>
pub fn build_peptide_to_ion_map( ions: &Vec<IonSim>, ) -> BTreeMap<u32, Vec<IonSim>>
Method to build a map from peptide id to ions
Sourcepub fn build_peptide_map(
peptides: &Vec<PeptidesSim>,
) -> BTreeMap<u32, PeptidesSim>
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)
Sourcepub fn build_precursor_frame_id_set(frames: &Vec<FramesSim>) -> HashSet<u32>
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§
Auto Trait Implementations§
impl !Freeze for TimsTofSyntheticsDataHandle
impl !RefUnwindSafe for TimsTofSyntheticsDataHandle
impl Send for TimsTofSyntheticsDataHandle
impl !Sync for TimsTofSyntheticsDataHandle
impl Unpin for TimsTofSyntheticsDataHandle
impl !UnwindSafe for TimsTofSyntheticsDataHandle
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