/home/kitware/dashboards/avogadro/libavogadro/src/fragment.h

/**********************************************************************
  Fragment - Fragment class derived from the base Primitive class

  Copyright (C) 2008 Marcus D. Hanwell

  This file is part of the Avogadro molecular editor project.
  For more information, see <http://avogadro.openmolecules.net/>

  Avogadro 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.

  Avogadro is distributed in the hope that it will be useful,
  but WITHOUT ANY WARRANTY; without even the implied warranty of
  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
  GNU General Public License for more details.

  You should have received a copy of the GNU General Public License
  along with this program; if not, write to the Free Software
  Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA
  02110-1301, USA.
 **********************************************************************/

#ifndef FRAGMENT_H
#define FRAGMENT_H

#include <avogadro/primitive.h>

#include <QList>

namespace Avogadro {

  class Molecule;

  class FragmentPrivate;
  class A_EXPORT Fragment : public Primitive
  {
    Q_OBJECT

    public:
      Fragment(QObject *parent=0);

      explicit Fragment(Type type, QObject *parent=0);

      ~Fragment();

      inline QString name() const { return m_name; }

      inline void setName(QString name) { m_name = name; }

      void addAtom(unsigned long id);

      void removeAtom(unsigned long id);

      QList<unsigned long> atoms() const;

      void addBond(unsigned long id);

      void removeBond(unsigned long id);

      QList<unsigned long> bonds() const;

      friend class Molecule;

    protected:
      Molecule *m_molecule;
      QString m_name; 
      QList<unsigned long> m_atoms; 
      QList<unsigned long> m_bonds; 
    private:
      Q_DECLARE_PRIVATE(Fragment)
  };

} // End namespace Avoagdro

#endif