cDeNovoGraphNode.h

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#ifndef _CDENOVOGRAPHNODE_H
#define _CDENOVOGRAPHNODE_H
 
#include <unordered_set>
#include <vector>
#include <map>
#include <fstream>
 
#include "core/cFragmentIons.h"
 
using namespace std;
 
 
struct nodeEdge {
 
    int nodeid;
 
 
    int edgeid;
 
 
    void store(ofstream& os);
 
 
    void load(ifstream& is);
 
};
 
 
bool operator == (nodeEdge const& a, nodeEdge const& b);
 
 
struct cEdge {
 
    int targetnode;
 
 
    int brickid;
 
 
    double ppmerror;
 
 
    double massdifference;
 
 
    int sourcecharge;
 
 
    int targetcharge;
 
 
    double targetintensity;
 
 
    string composition;
 
 
    string summary;
 
 
    int startmodifID;
 
 
    int middlemodifID;
 
 
    int endmodifID;
 
 
    eFragmentIonType sourceion;
 
 
    eFragmentIonType targetion;
 
 
    cEdge() {
        clear();
    }
 
 
    void clear() {
        targetnode = 0;
        brickid = 0;
        ppmerror = 0;
        massdifference = 0;
        sourcecharge = 1;
        targetcharge = 1;
        targetintensity = 0;
        composition = "";
        summary = "";
        startmodifID = 0;
        middlemodifID = 0;
        endmodifID = 0;
        sourceion = fragmentIonTypeEnd;
        targetion = fragmentIonTypeEnd;
    }
 
};
 
 
struct hash_cEdge {
 
    size_t operator()(const cEdge& e) const {
        return std::hash<int>()(e.targetnode) ^ std::hash<int>()(e.brickid) ^ std::hash<int>()((int)(e.sourceion)) ^ std::hash<int>()((int)(e.targetion));
    }
 
};
 
 
bool operator == (cEdge const& a, cEdge const& b);
 
 
bool compareEdgesByPPMError(const cEdge& a, const cEdge& b);
 
 
bool compareEdgesByTargetNodeIntensityDesc(const cEdge& a, const cEdge& b);
 
 
class cDeNovoGraphNode {
 
    double mzratio;
    double intensity;
 
    unordered_set<cEdge, hash_cEdge> tempedges;
    vector<cEdge> edges;
    map<eFragmentIonType, bool> ionannotation;
 
public:
 
 
    cDeNovoGraphNode();
 
 
    void clear();
 
 
    double getMZRatio();
 
    
    void setMZRatio(double mzratio);
 
 
    double getIntensity();
 
    
    void setIntensity(double intensity);
 
 
    void insertTempEdge(cEdge& e);
 
 
    void insertEdge(cEdge& e);
 
 
    void sortEdgesByPPMError();
 
 
    void sortEdgesByTargetNodeIntensity();
 
 
    void createVectorOfEdges();
 
 
    int size();
 
 
    cEdge& operator[](int position);
 
 
    void removeEdge(int position);
 
 
    void clearEdges();
 
 
    void addIonAnnotation(eFragmentIonType iontype);
 
 
    bool checkIonAnnotation(eFragmentIonType iontype);
 
};
 
 
#endif