Deisotoper.h

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// $Maintainer: Timo Sachsenberg $
// $Authors: Markus Mueller $
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//
/*
 *  Deisotoper.h
 *  PeakDetection
 *
 *  Created by Markus Mueller on 10/19/06.
 *
 *  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 <list>
#include <iosfwd>

namespace OpenMS
{

  class CentroidData;
  class DeconvPeak;

  class SUPERHIRN_DLLAPI Deisotoper
  {
public:
//  static int sfMinCharge;
//  static int sfMaxCharge;

    Deisotoper();
    Deisotoper(CentroidData&);
    virtual ~Deisotoper();

    inline std::list<DeconvPeak>& getDeconvPeaks() {return fDeconvPeaks; }

    void go(CentroidData&);
    void cleanDeconvPeaks();

    inline int getMinPeakGroupSize() {return fMinPeakGroupSize; }
    inline double getTheta() {return fTheta; }
    inline int getScanNumber() {return fScanNumber; }
    inline bool getShortReportFlag() {return fShortReportFlag; }

    inline void setMinPeakGroupSize(int pMinPeakGroupSize) {fMinPeakGroupSize = pMinPeakGroupSize; }
    inline void setTheta(double pTheta) {fTheta = pTheta; }
    inline void setScanNumber(int pScanNumber) {fScanNumber = pScanNumber; }
    inline void setShortReportFlag(bool pShortReportFlag) {fShortReportFlag = pShortReportFlag; }

protected:

    std::list<DeconvPeak> fDeconvPeaks;

    int     fMinPeakGroupSize;
    double  fTheta;
    int     fScanNumber;
    bool    fShortReportFlag;
  };

   SUPERHIRN_DLLAPI std::ostream& operator<<(std::ostream&, Deisotoper&);

} // ns