FineIsotopePatternGenerator

class pyopenms.FineIsotopePatternGenerator

Bases: object

Cython implementation of _FineIsotopePatternGenerator

Documentation is available at http://www.openms.de/current_doxygen/html/classOpenMS_1_1FineIsotopePatternGenerator.html

Isotope pattern generator for fine isotope distributions. Generates isotopes until a stop condition (threshold) is reached, the lower the threshold the more isotopes are generated. The parameter use_total_prob defines whether the stop condition is interpreted as the total probability that the distribution should cover (default) or as a threshold for individual peaks. Finally, the absolute parameter specifies for individual peak thresholding if the threshold is absolute or relative.

__init__()

  • Cython signature: void FineIsotopePatternGenerator()

  • Cython signature: void FineIsotopePatternGenerator(double threshold)

  • Cython signature: void FineIsotopePatternGenerator(double threshold, bool use_total_prob)

  • Cython signature: void FineIsotopePatternGenerator(double threshold, bool use_total_prob, bool absolute)

Methods

__init__

  • Cython signature: void FineIsotopePatternGenerator()

getAbsolute

Cython signature: bool getAbsolute()

getThreshold

Cython signature: double getThreshold()

getTotalProbability

Cython signature: bool getTotalProbability()

run

Cython signature: IsotopeDistribution run(EmpiricalFormula)

setAbsolute

Cython signature: void setAbsolute(bool absolute)

setThreshold

Cython signature: void setThreshold(double threshold)

setTotalProbability

Cython signature: void setTotalProbability(bool total)
getAbsolute()

Cython signature: bool getAbsolute()

getThreshold()

Cython signature: double getThreshold()

getTotalProbability()

Cython signature: bool getTotalProbability()

run()

Cython signature: IsotopeDistribution run(EmpiricalFormula)

setAbsolute()

Cython signature: void setAbsolute(bool absolute)

setThreshold()

Cython signature: void setThreshold(double threshold)

setTotalProbability()

Cython signature: void setTotalProbability(bool total)