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’]

__init__()

Cython signature: void FeatureFinderAlgorithmMetaboIdent()

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

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)

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

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