atom.h

#ifndef __RNAMake__atom__
#define __RNAMake__atom__

#include <stdio.h>

//RNAMake Headers
#include "base/types.h"
#include "math/xyz_vector.h"

class Atom {
public:
  
    inline
    Atom(
        String const & name,
        Point const & coords):
    name_ ( name ),
    coords_ ( coords )
    {}
    
    inline
    Atom(
        String const & s) {
        
        auto spl = split_str_by_delimiter(s, " ");
        name_   = spl[0];
        coords_ = Point(std::stof(spl[1]), std::stof(spl[2]), std::stof(spl[3]));
    }
    
    inline
    Atom(
         Atom const & a):
    name_(a.name_),
    coords_(a.coords_)
    {}
    
public:
    
    String to_str();
    
    String to_pdb_str(int);
    
public: //accessors
    
    inline
    String const &
    name() const { return name_; }
    
    inline
    Point const
    coords() const { return coords_; }


public: // setters
    
    inline
    void
    coords(
        Point const & ncoords) {
        coords_ = ncoords;
    }
    
    inline
    void
    name(
        String const & nname) {
        name_ = nname;
    }
    
private:
    String name_;
    
    Point coords_;
    
};

typedef std::shared_ptr<Atom> AtomOP;

typedef std::vector<AtomOP> AtomOPs;




#endif /* defined(__RNAMake__atom__) */