MolecularData.h

#pragma once
#include <string>
#include <map>
#include <vector>
#include <qcolor.h>

class MolecularData
{
public:
    MolecularData(void);
    ~MolecularData(void);

    struct atom{
        float pos[3];       
        std::string type;   
        char group;         
    };
    
    std::map<int,atom> atomData;
    std::vector<long long> bondData;
    
    enum colorMode{
        ATOM_TPYE, 
        ATOM_GROUP 
    };
    void getColorfromAtom(int id,colorMode mode,float *color);
    float getRadiusFromAtom(int id);
private:
    struct AtomPropertieElement{
        std::string name;   
        int color[3];       
        float radius;       
    };
    struct ChainPropertieElement{
        char names[3]; 
        int color[3]; 
    };
    static AtomPropertieElement const atomProperties[];
    static ChainPropertieElement const chainProperties[];




    
    


};