FeatureLCProfile.h

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// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2020.
//
// This software is released under a three-clause BSD license:
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//    notice, this list of conditions and the following disclaimer in the
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//    may be used to endorse or promote products derived from this software
//    without specific prior written permission.
// For a full list of authors, refer to the file AUTHORS.
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// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
// AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
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// --------------------------------------------------------------------------
// $Maintainer: Timo Sachsenberg $
// $Authors: Lukas Mueller, Markus Mueller $
// --------------------------------------------------------------------------
//
//
//  written by Lukas N Mueller, 30.3.05
//  Lukas.Mueller@imsb.biol.ethz.ch
//  Group of Prof. Ruedi Aebersold, IMSB, ETH Hoenggerberg, Zurich
//
//  Ported to OpenMS by Florian Zeller, florian.zeller@bsse.ethz.ch
//  December 2010
//
 
#pragma once
 
#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/SuperHirnConfig.h>
#include <OpenMS/CONCEPT/Types.h>
 
#include <map>
 
namespace OpenMS
{
 
// this structure stores the monoisotopic
// signals of LC elution peak:
  struct SUPERHIRN_DLLAPI MS1Signal
  {
    double mass;
    double TR;
    double intensity;
    int scan;
    int charge;
  };
 
  class SUPERHIRN_DLLAPI FeatureLCProfile
  {
 
 
    // declaration of the private members:
private:
 
    std::map<int, MS1Signal> LCelutionSignals;
    std::map<int, MS1Signal> outsideLCelutionSignals;
 
 
    // elution area
    double LCelutionArea;
 
    // apex signal:
    MS1Signal apexMS1Signal;
 
    // declaration of the public members:
 
public:
 
    // class destructor
    ~FeatureLCProfile();
 
    // class constructor
    FeatureLCProfile();
    FeatureLCProfile(double, double, int, double);
    FeatureLCProfile(double, double, double, int, int, double);
 
    // class copy constructor
    FeatureLCProfile(const FeatureLCProfile &);
    // class copy constructor
    FeatureLCProfile(const FeatureLCProfile *);
 
 
    // overload operators:
    FeatureLCProfile & operator=(const FeatureLCProfile &);
    bool operator==(const FeatureLCProfile &);
    FeatureLCProfile & operator<=(const FeatureLCProfile &);
    FeatureLCProfile & operator>=(const FeatureLCProfile &);
    FeatureLCProfile & operator<(const FeatureLCProfile &);
    FeatureLCProfile & operator>(const FeatureLCProfile &);
 
    // change all elution times by a factor:
    void changeElutionTimesByFactor(double);
 
 
    // start here all the get / set
    // function to access the
    // variables of the class
 
    // add / get signals:
    void addMS1elutionSignal(double, double, int, int, double);
    void addOutsideMS1elutionSignal(double, double, int, int, double);
    void addMS1elutionSignal(MS1Signal * in);
 
    std::map<int, MS1Signal> * getLCelutionSignalMap();
    std::map<int, MS1Signal>::iterator getLCelutionSignalsStart();
    std::map<int, MS1Signal>::reverse_iterator getLastLCelutionSignal();
    std::map<int, MS1Signal>::iterator getLCelutionSignalsEnd();
    int getNbLCelutionSignals();
 
  };
 
} // ns