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)