IsotopeDistributionCache.h

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//                   OpenMS -- Open-Source Mass Spectrometry
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// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
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// $Maintainer: Lars Nilse $
// $Authors: Steffen Sass, Holger Plattfaut, Bastian Blank $
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#pragma once

#include <OpenMS/KERNEL/StandardTypes.h>
#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/FeatureFinderAlgorithmPickedHelperStructs.h>

namespace OpenMS
{
  class OPENMS_DLLAPI IsotopeDistributionCache
  {
public:
    typedef FeatureFinderAlgorithmPickedHelperStructs::TheoreticalIsotopePattern TheoreticalIsotopePattern;

    IsotopeDistributionCache(double max_mass, double mass_window_width, double intensity_percentage = 0, double intensity_percentage_optional = 0);

    const TheoreticalIsotopePattern & getIsotopeDistribution(double mass) const;

private:
    std::vector<TheoreticalIsotopePattern> isotope_distributions_;

    double mass_window_width_;
  };
}