FeatureFinderAlgorithmMetaboIdent#

class pyopenms.FeatureFinderAlgorithmMetaboIdent#

Bases: object

Cython implementation of _FeatureFinderAlgorithmMetaboIdent

Documentation is available at http://www.openms.de/current_doxygen/html/classOpenMS_1_1FeatureFinderAlgorithmMetaboIdent.html: – Inherits from [‘DefaultParamHandler’]

Methods

`__init__`	Cython signature: void FeatureFinderAlgorithmMetaboIdent()
`getChromatograms`	Cython signature: MSExperiment & getChromatograms() Retrieves chromatograms (empty if run was not executed)
`getDefaults`	Cython signature: Param getDefaults() Returns the default parameters
`getLibrary`	Cython signature: const TargetedExperiment & getLibrary() Retrieves the assay library (e.g., to store as TraML, empty if run was not executed)
`getMSData`	Cython signature: const MSExperiment & getMSData() Returns spectra
`getNShared`	Cython signature: size_t getNShared() Retrieves number of features with shared identifications
`getName`	Cython signature: String getName() Returns the name
`getParameters`	Cython signature: Param getParameters() Returns the parameters
`getSubsections`	Cython signature: libcpp_vector[String] getSubsections()
`getTransformations`	Cython signature: const TransformationDescription & getTransformations() Retrieves deviations between provided coordinates and extacted ones (e.g., to store as TrafoXML or for plotting)
`run`	Cython signature: void run(const libcpp_vector[FeatureFinderMetaboIdentCompound] metaboIdentTable, FeatureMap & features, String spectra_path)
`setMSData`	Cython signature: void setMSData(MSExperiment & input) Sets spectra
`setName`	Cython signature: void setName(const String &) Sets the name
`setParameters`	Cython signature: void setParameters(Param & param) Sets the parameters

getChromatograms()#: Cython signature: MSExperiment & getChromatograms() Retrieves chromatograms (empty if run was not executed)

getDefaults()#: Cython signature: Param getDefaults() Returns the default parameters

getLibrary()#: Cython signature: const TargetedExperiment & getLibrary() Retrieves the assay library (e.g., to store as TraML, empty if run was not executed)

getMSData()#: Cython signature: const MSExperiment & getMSData() Returns spectra

getNShared()#: Cython signature: size_t getNShared() Retrieves number of features with shared identifications

getParameters()#: Cython signature: Param getParameters() Returns the parameters

getTransformations()#: Cython signature: const TransformationDescription & getTransformations() Retrieves deviations between provided coordinates and extacted ones (e.g., to store as TrafoXML or for plotting)

run()#

Cython signature: void run(const libcpp_vector[FeatureFinderMetaboIdentCompound] metaboIdentTable, FeatureMap & features, String spectra_path)

Run feature extraction. spectra_path get’s annotated as primaryMSRunPath in the resulting feature map.

setMSData()#: Cython signature: void setMSData(MSExperiment & input) Sets spectra

setParameters()#: Cython signature: void setParameters(Param & param) Sets the parameters