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