| OpenMS 2.5.0

IsotopeDistributionCache.h
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31 // $Maintainer: Lars Nilse $
32 // $Authors: Steffen Sass, Holger Plattfaut, Bastian Blank $
33 // --------------------------------------------------------------------------
34
35 #pragma once
36
37 #include <OpenMS/KERNEL/StandardTypes.h>
38 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/FeatureFinderAlgorithmPickedHelperStructs.h>
39
40 namespace OpenMS
41 {
45 class OPENMS_DLLAPI IsotopeDistributionCache
46 {
47 public:
48 typedef FeatureFinderAlgorithmPickedHelperStructs::TheoreticalIsotopePattern TheoreticalIsotopePattern;
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
59 double mass_window_width_;
60 };
61 }
62
OpenMS::IsotopeDistributionCache::isotope_distributions_
std::vector< TheoreticalIsotopePattern > isotope_distributions_
Vector of pre-calculated isotope distributions for several mass windows.
Definition: IsotopeDistributionCache.h:57
FeatureFinderAlgorithmPickedHelperStructs.h
StandardTypes.h
OpenMS::IsotopeDistributionCache
Pre-calculate isotope distributions for interesting mass ranges.
Definition: IsotopeDistributionCache.h:45
OpenMS::FeatureFinderAlgorithmPickedHelperStructs::TheoreticalIsotopePattern
Helper structure for a theoretical isotope pattern used in FeatureFinderAlgorithmPicked.
Definition: FeatureFinderAlgorithmPickedHelperStructs.h:173
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::IsotopeDistributionCache::mass_window_width_
double mass_window_width_
Definition: IsotopeDistributionCache.h:59
OpenMS::IsotopeDistributionCache::TheoreticalIsotopePattern
FeatureFinderAlgorithmPickedHelperStructs::TheoreticalIsotopePattern TheoreticalIsotopePattern
Definition: IsotopeDistributionCache.h:48