MRMFeaturePickerFile#

class pyopenms.MRMFeaturePickerFile#

Bases: object

Cython implementation of _MRMFeaturePickerFile

Original C++ documentation is available here

_MRMFeaturePickerFile_ loads components and components groups parameters from a .csv file

The structures defined in [MRMFeaturePicker](@ref MRMFeaturePicker) are used

It is required that columns component_name and component_group_name are present. Lines whose component_name’s or component_group_name’s value is an empty string, will be skipped. The class supports the absence of information within other columns.

A reduced example of the expected format (fewer columns are shown here): > component_name,component_group_name,TransitionGroupPicker:stop_after_feature,TransitionGroupPicker:PeakPickerChromatogram:sgolay_frame_length > arg-L.arg-L_1.Heavy,arg-L,2,15 > arg-L.arg-L_1.Light,arg-L,2,17 > orn.orn_1.Heavy,orn,3,21 > orn.orn_1.Light,orn,3,13

__init__()#

Overload:

__init__(self) → None

Overload:

__init__(self, in_0: MRMFeaturePickerFile) → None

Methods

__init__

Overload:

load(self, filename, cp_list, cgp_list)

Loads the file's data and saves it into vectors of ComponentParams and ComponentGroupParams
load(self, filename: bytes | str | String, cp_list: List[MRMFP_ComponentParams], cgp_list: List[MRMFP_ComponentGroupParams]) → None#

Loads the file’s data and saves it into vectors of ComponentParams and ComponentGroupParams

The file is expected to contain at least two columns: component_name and component_group_name. Otherwise, an exception is thrown

If a component group (identified by its name) is found multiple times, only the first one is saved

Parameters:

  • filename – Path to the .csv input file

  • cp_list – Component params are saved in this list

  • cgp_list – Component Group params are saved in this list

Raises:

Exception: MissingInformation If the required columns are not found

Raises:

Exception: FileNotFound If input file is not found