MetaboTargetedTargetDecoy

class pyopenms.MetaboTargetedTargetDecoy

Bases: object

Cython implementation of _MetaboTargetedTargetDecoy

Documentation is available at http://www.openms.de/current_doxygen/html/classOpenMS_1_1MetaboTargetedTargetDecoy.html

__init__()

  • Cython signature: void MetaboTargetedTargetDecoy() Resolve overlapping fragments and missing decoys for experimental specific decoy generation in targeted/pseudo targeted metabolomics

  • Cython signature: void MetaboTargetedTargetDecoy(MetaboTargetedTargetDecoy &)

Methods

__init__

  • Cython signature: void MetaboTargetedTargetDecoy()

constructTargetDecoyMassMapping

Cython signature: libcpp_vector[MetaboTargetedTargetDecoy_MetaboTargetDecoyMassMapping] constructTargetDecoyMassMapping(TargetedExperiment & t_exp)

generateMissingDecoysByMassShift

Cython signature: void generateMissingDecoysByMassShift(TargetedExperiment & t_exp, libcpp_vector[MetaboTargetedTargetDecoy_MetaboTargetDecoyMassMapping] & mappings, double & mass_to_add)

resolveOverlappingTargetDecoyMassesByIndividualMassShift

Cython signature: void resolveOverlappingTargetDecoyMassesByIndividualMassShift(TargetedExperiment & t_exp, libcpp_vector[MetaboTargetedTargetDecoy_MetaboTargetDecoyMassMapping] & mappings, double & mass_to_add)
constructTargetDecoyMassMapping()

Cython signature: libcpp_vector[MetaboTargetedTargetDecoy_MetaboTargetDecoyMassMapping] constructTargetDecoyMassMapping(TargetedExperiment & t_exp)

Parameters

t_exp – TransitionExperiment holds compound and transition information used for the mapping

generateMissingDecoysByMassShift()

Cython signature: void generateMissingDecoysByMassShift(TargetedExperiment & t_exp, libcpp_vector[MetaboTargetedTargetDecoy_MetaboTargetDecoyMassMapping] & mappings, double & mass_to_add)

Parameters

  • t_exp – TransitionExperiment holds compound and transition information

  • mappings – Map of identifier to target and decoy masses

  • mass_to_add – The maximum number of transitions required per assay

resolveOverlappingTargetDecoyMassesByIndividualMassShift()

Cython signature: void resolveOverlappingTargetDecoyMassesByIndividualMassShift(TargetedExperiment & t_exp, libcpp_vector[MetaboTargetedTargetDecoy_MetaboTargetDecoyMassMapping] & mappings, double & mass_to_add)

Parameters

  • t_exp – TransitionExperiment holds compound and transition information

  • mappings – Map of identifier to target and decoy masses

  • mass_to_add – (e.g. CH2)