bond.h

/***************************************************************************
                          bond.h  -  description
                             -------------------
    author               : Armando Navarro-Vazquez
    email                : armando.deus@gmail.com
 ***************************************************************************/

/***************************************************************************
 *                                                                         *
 *   This program is free software; you can redistribute it and/or modify  *
 *   it under the terms of the GNU General Public License as published by  *
 *   the Free Software Foundation; either version 2 of the License, or     *
 *   (at your option) any later version.                                   *
 *                                                                         *
 ***************************************************************************/

#ifndef MAGNES_BOND_H
#define MAGNES_BOND_H

#include <vector>
#include <cstddef>

#include "coreexport.h"

namespace magnes
{
class MAGNES_CORE_API Bond
{
  public:
    enum order { SINGLE=1,  DOUBLE, TRIPLE, AROMATIC, };
    enum stereo { NOSTEREO=0,UP,DOWN, RUP, RDOWN, WIGGLE };
    Bond ( size_t i,  size_t j, order e= SINGLE );
    order& Order() { return m_order; }
    const order& Order() const { return m_order; }
    stereo& Stereo()  { return m_stereo; }
    const stereo& Stereo() const { return m_stereo; }
    const size_t& I() const { return m_i; }
    const size_t& J() const { return m_j; }
    friend bool operator == ( const Bond& a,const Bond& b ) { return ( ( a.m_i == b.m_i ) && ( a.m_j == b.m_j ) ); }
  private:
    size_t m_i;
    size_t m_j;
    order m_order;
    stereo m_stereo;
};

}

#endif