/usr/include/avogadro/fragment.h is in libavogadro-dev 1.1.1-0ubuntu7.
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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 Fragment fragment.h <avogadro/fragment.h>
* @brief A fragment containing atoms and bonds.
* @author Marcus D. Hanwell
*
* The Fragment class is a Primitive subclass that provides a generic way
* of addressing fragments. This is intended to be suitable for rings,
* residues, molecule fragments etc. That is anything that needs to address
* a subset of atoms/bonds in a Molecule.
*/
class FragmentPrivate;
class A_EXPORT Fragment : public Primitive
{
Q_OBJECT
public:
/**
* Constructor
*
* @param parent the object parent.
*/
Fragment(QObject *parent=0);
/**
* Consttructor. This class is further inherited by Residue.
*/
explicit Fragment(Type type, QObject *parent=0);
/**
* Destructor.
*/
~Fragment();
/**
* @return the name of the fragment.
* @note Replaces GetName().
*/
inline QString name() const { return m_name; }
/**
* Set the name of the fragment.
*/
inline void setName(QString name) { m_name = name; }
/**
* Add an Atom to the Fragment.
*/
void addAtom(unsigned long id);
/**
* Remove the Atom from the Fragment.
*/
void removeAtom(unsigned long id);
/**
* @return QList of the unique ids of the atoms in this Fragment.
*/
QList<unsigned long> atoms() const;
/**
* Add a Bond to the Fragment.
*/
void addBond(unsigned long id);
/**
* Remove the Bond from the Fragment.
*/
void removeBond(unsigned long id);
/**
* @return QList of the unique ids of the bonds in this Fragment.
*/
QList<unsigned long> bonds() const;
friend class Molecule;
protected:
Molecule *m_molecule;
QString m_name; /** The name of the Fragment. **/
QList<unsigned long> m_atoms; /** QList of the atom ids. **/
QList<unsigned long> m_bonds; /** QList of the bond ids. **/
private:
Q_DECLARE_PRIVATE(Fragment)
};
} // End namespace Avoagdro
#endif
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