WeightWrapper.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
//
// --------------------------------------------------------------------------
// $Maintainer: Chris Bielow$
// $Authors: Chris Bielow $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/CHEMISTRY/EmpiricalFormula.h>
#include <OpenMS/CHEMISTRY/AASequence.h>
 
namespace OpenMS
{
 
  class OPENMS_DLLAPI WeightWrapper
  {
 
public:
 
    enum WEIGHTMODE {AVERAGE = 0, MONO, SIZE_OF_WEIGHTMODE};
 
    WeightWrapper();
 
    explicit WeightWrapper(const WEIGHTMODE weight_mode);
 
    virtual ~WeightWrapper();
 
    WeightWrapper(const WeightWrapper & source);
 
 
    void setWeightMode(const WEIGHTMODE mode);
 
 
    WEIGHTMODE getWeightMode() const;
 
 
    double getWeight(const AASequence & aa) const;
 
    double getWeight(const EmpiricalFormula & ef) const;
 
 
    double getWeight(const Residue & r, Residue::ResidueType res_type = Residue::Full) const;
 
 
private:
 
    WEIGHTMODE weight_mode_;         
 
 
  };
}