MRMFeaturePickerFile

class pyopenms.MRMFeaturePickerFile

Bases: object

Cython implementation of _MRMFeaturePickerFile

Documentation is available at http://www.openms.de/current_doxygen/html/classOpenMS_1_1MRMFeaturePickerFile.html

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:PeakPickerMRM: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__()

Cython signature: void MRMFeaturePickerFile()
Cython signature: void MRMFeaturePickerFile(MRMFeaturePickerFile &)

Methods

__init__

Cython signature: void MRMFeaturePickerFile()

load

Cython signature: void load(const String & filename, libcpp_vector[MRMFP_ComponentParams] & cp_list, libcpp_vector[MRMFP_ComponentGroupParams] & cgp_list)

load()

Cython signature: void load(const String & filename, libcpp_vector[MRMFP_ComponentParams] & cp_list, libcpp_vector[MRMFP_ComponentGroupParams] & cgp_list)

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 —– :param filename: Path to the .csv input file :param cp_list: Component params are saved in this list :param 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