File indexing completed on 2024-04-14 03:59:18

 /*
     This file is part of the KDE project "KAtomic"
 
     SPDX-FileCopyrightText: Andreas Wüst <AndreasWuest@gmx.de>
     SPDX-FileCopyrightText: Stephan Kulow <coolo@kde.org>
     SPDX-FileCopyrightText: 2006-2007 Dmitry Suzdalev <dimsuz@gmail.com>
 
     SPDX-License-Identifier: GPL-2.0-or-later
 */
 
 #ifndef MOLECULE_H
 #define MOLECULE_H
 
 #include "atom.h"
 
 #include <QList>
 #include <QString>
 
 
 #define MOLECULE_SIZE 15
 
 /**
  this class represents one molecule
  */
 class Molecule
 {
 public:
     const atom& getAtom(int index) const;
 
     uint getAtom(int x, int y) const { return m_molek[x][y]; }
 
     /**
      *  Width of molecule measured in atoms
      */
     int width() const { return m_width; }
     /**
      *  Height of molecule measured in atoms
      */
     int height() const { return m_height; }
 
     /**
      * @return the name of the molecule
      */
     QString moleculeName() const { return m_name; }
 
     /**
      * @return the molecule weight of the molecule
      */
     double molecularWeight() const { return m_weight; }
 
 private:
     friend class LevelSet;
 
     Molecule() : m_width(0), m_height(0), m_weight(0) { }
 
     uint m_molek[MOLECULE_SIZE][MOLECULE_SIZE]; // the indexes within atoms
     QList<atom> m_atoms;
     QString m_name;
 
     int m_width;
     int m_height;
 
     ///the molecule weight of the Molecule
     double m_weight;
 
 };
 
 #endif // MOLECULE_H