peak.h

Go to the documentation of this file.

// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
// $Id: peak.h,v 1.18 2003/08/26 08:04:45 oliver Exp $
//
 
#ifndef BALL_NMR_PEAK_H
#define BALL_NMR_PEAK_H
 
#ifndef BALL_MATHS_VECTOR3_H
# include <BALL/MATHS/vector3.h>
#endif
 
#ifndef BALL_MATHS_VECTOR2_H
# include <BALL/MATHS/vector2.h>
#endif
 
#ifndef BALL_CONCEPT_PROPERTY_H
# include <BALL/CONCEPT/property.h>
#endif
 
#include <iostream>
 
namespace BALL 
{
  class Atom;

  template <typename PositionType>
  class Peak
    : public PropertyManager
  {
    public:

    // Type describing the coordinates and width of the peak in all its dimensions
    typedef PositionType Position;


    Peak();
    
    Peak(const Peak& peak);
    
    virtual ~Peak();
    


    const Position& getPosition() const;

    const Position& getWidth() const;
    
    float getIntensity() const;
    
    void setPosition(const Position& position);

    void setWidth(const Position& width);
    
    void setIntensity(float intensity);

    const Atom* getAtom() const;

    void setAtom(const Atom* atom);



    void operator = (const Peak& peak);



    bool operator == (const Peak<PositionType>& peak) const;

    bool operator < (const Peak<PositionType>& peak) const;

    bool operator > (const Peak<PositionType>& peak) const;
 
    protected:
 
    Position  position_;
    Position  width_;
    float intensity_;
    const Atom* atom_;
  };
 
  template <typename PositionType>
  Peak<PositionType>::Peak()
    : PropertyManager(),
      position_(),
      width_(),
      intensity_(0),
      atom_(0)
  {
  }
 
  template <typename PositionType>
  Peak<PositionType>::~Peak()
  {
  }
 
  template <typename PositionType>
  Peak<PositionType>::Peak(const Peak<PositionType>& peak)
    : PropertyManager(peak),
      position_(peak.position_),
      width_(peak.width_),
      intensity_(peak.intensity_),
      atom_(peak.atom_)
  {
  }
 
  template <typename PositionType>
  BALL_INLINE
  const typename Peak<PositionType>::Position& Peak<PositionType>::getPosition() const
  {
    return position_;
  }
 
  template <typename PositionType>
  BALL_INLINE
  const typename Peak<PositionType>::Position& Peak<PositionType>::getWidth() const
  {
    return width_;
  }
 
  template <typename PositionType>
  BALL_INLINE
  void Peak<PositionType>::setPosition(const typename Peak<PositionType>::Position& position)
  {
    position_ = position;
  }
 
  template <typename PositionType>
  BALL_INLINE
  void Peak<PositionType>::setWidth(const typename Peak<PositionType>::Position& width)
  {
    width_ = width;
  }
 
  template <typename PositionType>
  BALL_INLINE
  float Peak<PositionType>::getIntensity() const
  {
    return intensity_;
  }
 
  template <typename PositionType>
  BALL_INLINE
  void Peak<PositionType>::setIntensity(float intensity)
  {
    intensity_ = intensity;
  }
 
  template <typename PositionType>
  BALL_INLINE
  const Atom* Peak<PositionType>::getAtom() const
  {
    return atom_;
  }
 
  template <typename PositionType>
  BALL_INLINE
  void Peak<PositionType>::setAtom(const Atom* atom)
  {
    atom_ = atom;
  }
 
  template <typename PositionType>
  void Peak<PositionType>::operator = (const Peak<PositionType>& peak)
  {
    position_ = peak.position_;
    width_ = peak.width_;
    intensity_ = peak.intensity_;
    atom_ = peak.atom_;
  }
 
  template <typename PositionType>
  bool Peak<PositionType>::operator == (const Peak<PositionType>& peak) const
  {
    return ((position_ == peak.position_)
            && (width_ == peak.width_)
            && (intensity_ == peak.intensity_)
            && (atom_ == peak.atom_));
  }
 
  template <typename PositionType>
  bool Peak<PositionType>::operator < (const Peak<PositionType>& peak) const
  {
    return (position_ < peak.position_);
  }
 
  template <typename PositionType>
  bool Peak<PositionType>::operator > (const Peak<PositionType>& peak) const
  {
    return (position_ > peak.position_);
  }

  template <typename PositionType>
  std::ostream& operator << (std::ostream& os, const Peak<PositionType>& peak)  
  {
    return (os << "[ peak @ " << peak.getPosition() 
               << ": intensity = " << peak.getIntensity()
               << ", width = " << peak.getWidth() 
               << "] ");
  }

  typedef Peak<float>   Peak1D;
  typedef Peak<Vector2> Peak2D;
  typedef Peak<Vector3> Peak3D;
 
  
} // namespace BALL
 
#endif // BALL_NMR_PEAK_H