IsotopeDistributionCache.h

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// Copyright (c) 2002-2023, The OpenMS Team -- EKU Tuebingen, ETH Zurich, and FU Berlin
// SPDX-License-Identifier: BSD-3-Clause
//
// --------------------------------------------------------------------------
// $Maintainer: Lars Nilse $
// $Authors: Steffen Sass, Holger Plattfaut, Bastian Blank $
// --------------------------------------------------------------------------
 
#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_;
  };
}