pub struct TimsTofSyntheticsFrameBuilderDDA {
pub path: String,
pub precursor_frame_builder: TimsTofSyntheticsPrecursorFrameBuilder,
pub transmission_settings: TimsTransmissionDDA,
pub fragment_ions: Option<BTreeMap<(u32, i8, i32), (PeptideProductIonSeriesCollection, Vec<MzSpectrum>)>>,
pub fragment_ions_annotated: Option<BTreeMap<(u32, i8, i32), (PeptideProductIonSeriesCollection, Vec<MzSpectrumAnnotated>)>>,
pub isotope_transmission_config: IsotopeTransmissionConfig,
pub fragment_ions_with_complementary: Option<BTreeMap<(u32, i8, i32), FragmentIonsWithComplementary>>,
}Fields§
§path: String§precursor_frame_builder: TimsTofSyntheticsPrecursorFrameBuilder§transmission_settings: TimsTransmissionDDA§fragment_ions: Option<BTreeMap<(u32, i8, i32), (PeptideProductIonSeriesCollection, Vec<MzSpectrum>)>>§fragment_ions_annotated: Option<BTreeMap<(u32, i8, i32), (PeptideProductIonSeriesCollection, Vec<MzSpectrumAnnotated>)>>§isotope_transmission_config: IsotopeTransmissionConfigConfiguration for quad-selection dependent isotope transmission
fragment_ions_with_complementary: Option<BTreeMap<(u32, i8, i32), FragmentIonsWithComplementary>>Fragment ions with complementary distribution data (only populated when isotope_transmission_config.enabled)
Implementations§
Source§impl TimsTofSyntheticsFrameBuilderDDA
impl TimsTofSyntheticsFrameBuilderDDA
Sourcepub fn new(
path: &Path,
with_annotations: bool,
num_threads: usize,
isotope_config: Option<IsotopeTransmissionConfig>,
) -> Self
pub fn new( path: &Path, with_annotations: bool, num_threads: usize, isotope_config: Option<IsotopeTransmissionConfig>, ) -> Self
Create a new DDA frame builder.
§Arguments
path- Path to the simulation databasewith_annotations- Whether to include annotationsnum_threads- Number of threads for parallel processingisotope_config- Optional configuration for quad-dependent isotope transmission
Sourcepub fn build_frame(
&self,
frame_id: u32,
fragmentation: bool,
mz_noise_precursor: bool,
uniform: bool,
precursor_noise_ppm: f64,
mz_noise_fragment: bool,
fragment_noise_ppm: f64,
right_drag: bool,
) -> TimsFrame
pub fn build_frame( &self, frame_id: u32, fragmentation: bool, mz_noise_precursor: bool, uniform: bool, precursor_noise_ppm: f64, mz_noise_fragment: bool, fragment_noise_ppm: f64, right_drag: bool, ) -> TimsFrame
pub fn build_frame_annotated( &self, frame_id: u32, fragmentation: bool, mz_noise_precursor: bool, uniform: bool, precursor_noise_ppm: f64, mz_noise_fragment: bool, fragment_noise_ppm: f64, right_drag: bool, ) -> TimsFrameAnnotated
pub fn get_fragment_ion_ids(&self, precursor_frame_ids: Vec<u32>) -> Vec<u32>
pub fn build_frames( &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, num_threads: usize, ) -> Vec<TimsFrame>
pub fn build_frames_annotated( &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, num_threads: usize, ) -> Vec<TimsFrameAnnotated>
pub fn build_fragment_frame_annotated( &self, frame_id: u32, fragment_ions: &BTreeMap<(u32, i8, i32), (PeptideProductIonSeriesCollection, Vec<MzSpectrumAnnotated>)>, mz_noise_fragment: bool, uniform: bool, fragment_ppm: f64, mz_min: Option<f64>, mz_max: Option<f64>, intensity_min: Option<f64>, right_drag: Option<bool>, ) -> TimsFrameAnnotated
pub fn get_collision_energy(&self, frame_id: i32, scan_id: i32) -> f64
pub fn get_collision_energies( &self, frame_ids: Vec<i32>, scan_ids: Vec<i32>, ) -> Vec<f64>
Auto Trait Implementations§
impl Freeze for TimsTofSyntheticsFrameBuilderDDA
impl RefUnwindSafe for TimsTofSyntheticsFrameBuilderDDA
impl Send for TimsTofSyntheticsFrameBuilderDDA
impl Sync for TimsTofSyntheticsFrameBuilderDDA
impl Unpin for TimsTofSyntheticsFrameBuilderDDA
impl UnsafeUnpin for TimsTofSyntheticsFrameBuilderDDA
impl UnwindSafe for TimsTofSyntheticsFrameBuilderDDA
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Use with care! Same as
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fn from_subset(element: &SS) -> SP
The inclusion map: converts
self to the equivalent element of its superset.