cPeak.h

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#ifndef _CPEAK_H
#define _CPEAK_H
 
#include <string>
#include <fstream>
#include "core/cFragmentIons.h"
#include "core/cSummaryFormula.h"
 
 
using namespace std;
 
 
struct cPeak {
 
    cSummaryFormula formula;
 
    string isotopeformula;
 
    int isotopeformulaid;
 
    double mzratio;
 
 
    double relativeintensity;
 
 
    double absoluteintensity;
 
 
    string description;
 
 
    int descriptionid;
 
 
    double matchedmz;
 
 
    double matchedrelativeintensity;
 
 
    double matchedabsoluteintensity;
 
 
    double matchedppm;
 
 
    eFragmentIonType iontype;
 
 
    int neutrallosstype;
 
    
    int matched;
 
 
    int matchedid;
 
 
    int charge;
 
        
    int rotationid;
 
        
    int seriesid;
 
        
    int groupid;
 
 
    int compoundid;
 
        
    bool isotope;
 
    
    bool removeme;
 
 
    bool scrambled;
 
 
    bool decoy;
 
 
    int orderid;
 
 
    cPeak();
 
 
    cPeak(const cPeak& peak);
 
 
    cPeak& operator=(const cPeak& peak);
 
 
    void clear();
 
 
    bool empty();
 
 
    void store(ofstream& os);
 
 
    void load(ifstream& is);
 
 
    bool equals(cPeak& secondpeak);
 
};
 
 
#endif