TheoreticalSpectrumGenerator

class pyopenms.TheoreticalSpectrumGenerator

Bases: object

Cython implementation of _TheoreticalSpectrumGenerator

Original C++ documentation is available here

– Inherits from [‘DefaultParamHandler’]

__init__()

Overload:

__init__(self) → None

Overload:

__init__(self, in_0: TheoreticalSpectrumGenerator) → None

Methods

__init__	Overload:
getDefaults(self)	Returns the default parameters
getName(self)	Returns the name
getParameters(self)	Returns the parameters
getSpectrum(self, spec, peptide, min_charge, ...)	Generates a spectrum for a peptide sequence, with the ion types that are set in the tool parameters.
getSubsections(self)
setName(self, in_0)	Sets the name
setParameters(self, param)	Sets the parameters

getDefaults(self) → Param

Returns the default parameters

getName(self) → bytes | str | String

Returns the name

getParameters(self) → Param

Returns the parameters

getSpectrum(self, spec: MSSpectrum, peptide: AASequence, min_charge: int, max_charge: int) → None

Generates a spectrum for a peptide sequence, with the ion types that are set in the tool parameters. If precursor_charge is set to 0 max_charge + 1 will be used

getSubsections(self) → List[bytes]

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

Sets the name

setParameters(self, param: Param) → None

Sets the parameters