MetaboliteSpectralMatching#

class pyopenms.MetaboliteSpectralMatching#

Bases: object

Cython implementation of _MetaboliteSpectralMatching

Documentation is available at http://www.openms.de/current_doxygen/html/classOpenMS_1_1MetaboliteSpectralMatching.html: – Inherits from [‘ProgressLogger’, ‘DefaultParamHandler’]

__init__()#

Cython signature: void MetaboliteSpectralMatching()
Cython signature: void MetaboliteSpectralMatching(MetaboliteSpectralMatching &)

Methods

`__init__`	Cython signature: void MetaboliteSpectralMatching()
`computeHyperScore`	Cython signature: double computeHyperScore(double fragment_mass_error, bool fragment_mass_tolerance_unit_ppm, MSSpectrum exp_spectrum, MSSpectrum db_spectrum, libcpp_vector[PeptideHit_PeakAnnotation] & annotations, double mz_lower_bound)
`endProgress`	Cython signature: void endProgress() Ends the progress display
`getDefaults`	Cython signature: Param getDefaults() Returns the default parameters
`getLogType`	Cython signature: LogType getLogType() Returns the type of progress log being used
`getName`	Cython signature: String getName() Returns the name
`getParameters`	Cython signature: Param getParameters() Returns the parameters
`getSubsections`	Cython signature: libcpp_vector[String] getSubsections()
`nextProgress`	Cython signature: void nextProgress() Increment progress by 1 (according to range begin-end)
`run`	Cython signature: void run(MSExperiment & exp, MSExperiment & speclib, MzTab & mz_tab)
`setLogType`	Cython signature: void setLogType(LogType) Sets the progress log that should be used.
`setName`	Cython signature: void setName(const String &) Sets the name
`setParameters`	Cython signature: void setParameters(Param & param) Sets the parameters
`setProgress`	Cython signature: void setProgress(ptrdiff_t value) Sets the current progress
`startProgress`	Cython signature: void startProgress(ptrdiff_t begin, ptrdiff_t end, String label)

computeHyperScore()#: Cython signature: double computeHyperScore(double fragment_mass_error, bool fragment_mass_tolerance_unit_ppm, MSSpectrum exp_spectrum, MSSpectrum db_spectrum, libcpp_vector[PeptideHit_PeakAnnotation] & annotations, double mz_lower_bound)

endProgress()#: Cython signature: void endProgress() Ends the progress display

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

getLogType()#: Cython signature: LogType getLogType() Returns the type of progress log being used

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

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

getSubsections()#: Cython signature: libcpp_vector[String] getSubsections()

nextProgress()#: Cython signature: void nextProgress() Increment progress by 1 (according to range begin-end)

run()#: Cython signature: void run(MSExperiment & exp, MSExperiment & speclib, MzTab & mz_tab)

setLogType()#: Cython signature: void setLogType(LogType) Sets the progress log that should be used. The default type is NONE!

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

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

setProgress()#: Cython signature: void setProgress(ptrdiff_t value) Sets the current progress

startProgress()#: Cython signature: void startProgress(ptrdiff_t begin, ptrdiff_t end, String label)