TheoreticalSpectrumGenerator#

class pyopenms.TheoreticalSpectrumGenerator#

Bases: object

Cython implementation of _TheoreticalSpectrumGenerator

Documentation is available at http://www.openms.de/current_doxygen/html/classOpenMS_1_1TheoreticalSpectrumGenerator.html: – Inherits from [‘DefaultParamHandler’]

__init__()#

Cython signature: void TheoreticalSpectrumGenerator()
Cython signature: void TheoreticalSpectrumGenerator(TheoreticalSpectrumGenerator &)

Methods

`__init__`	Cython signature: void TheoreticalSpectrumGenerator()
`getDefaults`	Cython signature: Param getDefaults() Returns the default parameters
`getName`	Cython signature: String getName() Returns the name
`getParameters`	Cython signature: Param getParameters() Returns the parameters
`getSpectrum`	Cython signature: void getSpectrum(MSSpectrum & spec, AASequence & peptide, int min_charge, int max_charge) Generates a spectrum for a peptide sequence, with the ion types that are set in the tool parameters.
`getSubsections`	Cython signature: libcpp_vector[String] getSubsections()
`setName`	Cython signature: void setName(const String &) Sets the name
`setParameters`	Cython signature: void setParameters(Param & param) Sets the parameters

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

getName()#: Cython signature: String getName() Returns the name

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

getSpectrum()#: Cython signature: void getSpectrum(MSSpectrum & spec, AASequence & peptide, int min_charge, int max_charge) 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()#: Cython signature: libcpp_vector[String] getSubsections()

setName()#: Cython signature: void setName(const String &) Sets the name

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