habond.h

Go to the documentation of this file.

#ifndef HABOND_H
#define HABOND_H

#include "haconst.h"

class HaAtom;

class HaBond
{
public:
  HaBond();
  HaBond(const HaBond& ref);
  HaBond(HaAtom* src, HaAtom* dst, const int new_flag);
  virtual ~HaBond();

  bool SetParamFrom(const HaBond& ref); 

  HaBond* assign(HaAtom* src, HaAtom* dst, const int new_flag);

  bool operator==(const HaBond & rhs) const;
  bool operator< (const HaBond & rhs) const;

// Flag Manipulation Utilities:

  void Select();
  void UnSelect();
  int Selected() const;

  void SetNotDraw();  
  void DrawWire();   
  void DrawDashed(); 
  void DrawCylinder(double rad); 
  int  IsToDraw() const; 

  
// RASMOL BOND structure parameters

  HaAtom  *srcatom;      
  HaAtom  *dstatom;      
  double radius;         
  short irad;            
  short col;             
  Byte  flag;            

protected:

};

class HaHBond
{
public:
  HaHBond(HaAtom* new_src, HaAtom* new_dst);
  HaHBond(const HaHBond& ref);
  virtual ~HaHBond();
  
  bool operator==(const HaHBond & rhs) const;
  bool operator< (const HaHBond & rhs) const;

// Flag Manipulation Utilities:

  void  Select();
  void UnSelect();
  int Selected() const;
  
  void SetNotDraw();    
  int IsToDraw() const; 
  
// RASMOL HBOND structure parameters

  HaAtom  *srcCA;              
  HaAtom  *dstCA;              
  HaAtom  *dst;                
  HaAtom  *src;                
  short energy;                
  double radius;               
  short irad;                  
  char offset;                 
  Byte flag;                   
  short col;                   
  
protected:

};



#endif /* !HABOND_H */

---