OpenMS  3.0.0
IsotopeDistributionCache.h
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31 // $Maintainer: Lars Nilse $
32 // $Authors: Steffen Sass, Holger Plattfaut, Bastian Blank $
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34 
35 #pragma once
36 
39 
40 namespace OpenMS
41 {
45  class OPENMS_DLLAPI IsotopeDistributionCache
46  {
47 public:
49 
50  IsotopeDistributionCache(double max_mass, double mass_window_width, double intensity_percentage = 0, double intensity_percentage_optional = 0);
51 
53  const TheoreticalIsotopePattern & getIsotopeDistribution(double mass) const;
54 
55 private:
57  std::vector<TheoreticalIsotopePattern> isotope_distributions_;
58 
60  };
61 }
62 
OpenMS::FeatureFinderAlgorithmPickedHelperStructs::TheoreticalIsotopePattern
Helper structure for a theoretical isotope pattern used in FeatureFinderAlgorithmPicked.
Definition: FeatureFinderAlgorithmPickedHelperStructs.h:173
FeatureFinderAlgorithmPickedHelperStructs.h
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::IsotopeDistributionCache
Pre-calculate isotope distributions for interesting mass ranges.
Definition: IsotopeDistributionCache.h:45
OpenMS::IsotopeDistributionCache::TheoreticalIsotopePattern
FeatureFinderAlgorithmPickedHelperStructs::TheoreticalIsotopePattern TheoreticalIsotopePattern
Definition: IsotopeDistributionCache.h:48
OpenMS::IsotopeDistributionCache::isotope_distributions_
std::vector< TheoreticalIsotopePattern > isotope_distributions_
Vector of pre-calculated isotope distributions for several mass windows.
Definition: IsotopeDistributionCache.h:57
OpenMS::IsotopeDistributionCache::mass_window_width_
double mass_window_width_
Definition: IsotopeDistributionCache.h:59
StandardTypes.h