SpectralMatch

class pyopenms.SpectralMatch

Bases: object

Cython implementation of _SpectralMatch

Original C++ documentation is available here

__init__()

Overload:

__init__(self) → None

Overload:

__init__(self, in_0: SpectralMatch) → None

Methods

__init__
getCommonName(self)
getFoundPrecursorCharge(self)
getFoundPrecursorMass(self)
getInchiString(self)
getMatchingScore(self)
getMatchingSpectrumIndex(self)
getObservedPrecursorMass(self)
getObservedPrecursorRT(self)
getObservedSpectrumIndex(self)
getPrecursorAdduct(self)
getPrimaryIdentifier(self)
getSMILESString(self)
getSecondaryIdentifier(self)
getSumFormula(self)
setCommonName(self, in_0)
setFoundPrecursorCharge(self, in_0)
setFoundPrecursorMass(self, in_0)
setInchiString(self, in_0)
setMatchingScore(self, in_0)
setMatchingSpectrumIndex(self, in_0)
setObservedPrecursorMass(self, in_0)
setObservedPrecursorRT(self, in_0)
setObservedSpectrumIndex(self, in_0)
setPrecursorAdduct(self, in_0)
setPrimaryIdentifier(self, in_0)
setSMILESString(self, in_0)
setSecondaryIdentifier(self, in_0)
setSumFormula(self, in_0)

getCommonName(self) → bytes | str | String

getFoundPrecursorCharge(self) → int

getFoundPrecursorMass(self) → float

getInchiString(self) → bytes | str | String

getMatchingScore(self) → float

getMatchingSpectrumIndex(self) → int

getObservedPrecursorMass(self) → float

getObservedPrecursorRT(self) → float

getObservedSpectrumIndex(self) → int

getPrecursorAdduct(self) → bytes | str | String

getPrimaryIdentifier(self) → bytes | str | String

getSMILESString(self) → bytes | str | String

getSecondaryIdentifier(self) → bytes | str | String

getSumFormula(self) → bytes | str | String

setCommonName(self, in_0: bytes | str | String) → None

setFoundPrecursorCharge(self, in_0: int) → None

setFoundPrecursorMass(self, in_0: float) → None

setInchiString(self, in_0: bytes | str | String) → None

setMatchingScore(self, in_0: float) → None

setMatchingSpectrumIndex(self, in_0: int) → None

setObservedPrecursorMass(self, in_0: float) → None

setObservedPrecursorRT(self, in_0: float) → None

setObservedSpectrumIndex(self, in_0: int) → None

setPrecursorAdduct(self, in_0: bytes | str | String) → None

setPrimaryIdentifier(self, in_0: bytes | str | String) → None

setSMILESString(self, in_0: bytes | str | String) → None

setSecondaryIdentifier(self, in_0: bytes | str | String) → None

setSumFormula(self, in_0: bytes | str | String) → None