MetaboliteSpectralMatching#

class pyopenms.MetaboliteSpectralMatching#

Bases: object

Cython implementation of _MetaboliteSpectralMatching

Original C++ documentation is available here: – Inherits from [‘ProgressLogger’, ‘DefaultParamHandler’]

__init__()#

Overload:

__init__(self) → None

Overload:

__init__(self, in_0: MetaboliteSpectralMatching) → None

Methods

`__init__`	Overload:
`computeHyperScore`	__static_MetaboliteSpectralMatching_computeHyperScore(fragment_mass_error: float , fragment_mass_tolerance_unit_ppm: bool , exp_spectrum: MSSpectrum , db_spectrum: MSSpectrum , annotations: List[PeptideHit_PeakAnnotation] , mz_lower_bound: float ) -> float
`endProgress`(self)	Ends the progress display
`getDefaults`(self)	Returns the default parameters
`getLogType`(self)	Returns the type of progress log being used
`getName`(self)	Returns the name
`getParameters`(self)	Returns the parameters
`getSubsections`(self)
`nextProgress`(self)	Increment progress by 1 (according to range begin-end)
`run`(self, exp, speclib, mz_tab, out_spectra)
`setLogType`(self, in_0)	Sets the progress log that should be used.
`setName`(self, in_0)	Sets the name
`setParameters`(self, param)	Sets the parameters
`setProgress`(self, value)	Sets the current progress
`startProgress`(self, begin, end, label)

computeHyperScore()#: __static_MetaboliteSpectralMatching_computeHyperScore(fragment_mass_error: float , fragment_mass_tolerance_unit_ppm: bool , exp_spectrum: MSSpectrum , db_spectrum: MSSpectrum , annotations: List[PeptideHit_PeakAnnotation] , mz_lower_bound: float ) -> float

endProgress(self) → None#: Ends the progress display

getDefaults(self) → Param#: Returns the default parameters

getLogType(self) → int#: Returns the type of progress log being used

getName(self) → bytes | str | String#: Returns the name

getParameters(self) → Param#: Returns the parameters

getSubsections(self) → List[bytes]#

nextProgress(self) → None#: Increment progress by 1 (according to range begin-end)

run(self, exp: MSExperiment, speclib: MSExperiment, mz_tab: MzTab, out_spectra: String) → None#

setLogType(self, in_0: int) → None#: Sets the progress log that should be used. The default type is NONE!

setName(self, in_0: bytes | str | String) → None#: Sets the name

setParameters(self, param: Param) → None#: Sets the parameters

setProgress(self, value: int) → None#: Sets the current progress

startProgress(self, begin: int, end: int, label: bytes | str | String) → None#