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IsotopeDistributionCache.h
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34 
35 #ifndef OPENMS_FILTERING_DATAREDUCTION_ISOTOPEDISTRIBUTIONCACHE_H
36 #define OPENMS_FILTERING_DATAREDUCTION_ISOTOPEDISTRIBUTIONCACHE_H
37 
40 
41 namespace OpenMS
42 {
46  class OPENMS_DLLAPI IsotopeDistributionCache
47  {
48 public:
50 
51  IsotopeDistributionCache(double max_mass, double mass_window_width, double intensity_percentage = 0, double intensity_percentage_optional = 0);
52 
54  const TheoreticalIsotopePattern & getIsotopeDistribution(double mass) const;
55 
56 private:
58  std::vector<TheoreticalIsotopePattern> isotope_distributions_;
59 
61  };
62 }
63 
64 #endif
FeatureFinderAlgorithmPickedHelperStructs::TheoreticalIsotopePattern TheoreticalIsotopePattern
Definition: IsotopeDistributionCache.h:49
std::vector< TheoreticalIsotopePattern > isotope_distributions_
Vector of pre-calculated isotope distributions for several mass windows.
Definition: IsotopeDistributionCache.h:58
Helper structure for a theoretical isotope pattern used in FeatureFinderAlgorithmPicked.
Definition: FeatureFinderAlgorithmPickedHelperStructs.h:174
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
double mass_window_width_
Definition: IsotopeDistributionCache.h:60
Pre-calculate isotope distributions for interesting mass ranges.
Definition: IsotopeDistributionCache.h:46

OpenMS / TOPP release 2.3.0 Documentation generated on Tue Jan 9 2018 18:22:01 using doxygen 1.8.13