--- /dev/null
+// Copyright (C) 2007-2010 CEA/DEN, EDF R&D, OPEN CASCADE
+//
+// Copyright (C) 2003-2007 OPEN CASCADE, EADS/CCR, LIP6, CEA/DEN,
+// CEDRAT, EDF R&D, LEG, PRINCIPIA R&D, BUREAU VERITAS
+//
+// This library is free software; you can redistribute it and/or
+// modify it under the terms of the GNU Lesser General Public
+// License as published by the Free Software Foundation; either
+// version 2.1 of the License.
+//
+// This library 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
+// Lesser General Public License for more details.
+//
+// You should have received a copy of the GNU Lesser General Public
+// License along with this library; if not, write to the Free Software
+// Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
+//
+// See http://www.opencascade.org/SALOME/ or email : webmaster.salome@opencascade.org
+
+#include "ATOMICGUI_Data.h"
+#include <qobject.h>
+
+int ATOMICGUI_AtomicMolecule::myMaxId = 0;
+int ATOMICGUI_AtomicMolecule::Atom::myMaxId = 0;
+
+/*! Constructor of Atom */
+ATOMICGUI_AtomicMolecule::Atom::Atom()
+ : myName( QString::null ), myX( 0. ), myY( 0. ), myZ( 0. )
+{
+ myId = ++myMaxId;
+}
+
+/*! Constructor of Atom */
+ATOMICGUI_AtomicMolecule::Atom::Atom( const QString& name,
+ const double x,
+ const double y,
+ const double z )
+ : myName( name ), myX( x ), myY( y ), myZ( z )
+{
+ myId = ++myMaxId;
+}
+
+/*! Constructor of Molecule */
+ATOMICGUI_AtomicMolecule::ATOMICGUI_AtomicMolecule( const QString& name )
+{
+ myId = ++myMaxId;
+ myName = name.isEmpty() ? QObject::tr( "ATOMICGUI_NONAME" ) : name;
+}
+
+/*! Destructor of Molecule */
+ATOMICGUI_AtomicMolecule::~ATOMICGUI_AtomicMolecule()
+{
+}
+
+/*! Adds an atom to the molecule */
+void ATOMICGUI_AtomicMolecule::addAtom( const QString& atom,
+ const double x,
+ const double y,
+ const double z )
+{
+ myAtoms.append( Atom( atom, x, y, z ) );
+}
+
+/*! Removes an atom from molecule by index */
+void ATOMICGUI_AtomicMolecule::deleteAtom( const int index )
+{
+ if ( index >= 0 and index < myAtoms.count() )
+ myAtoms.removeAt( index );
+}
+
+/*! Gets an atom id by index */
+int ATOMICGUI_AtomicMolecule::atomId( const int index ) const
+{
+ if ( index >= 0 and index < myAtoms.count() )
+ return myAtoms[ index ].id();
+ return 0;
+}
+
+/*! Gets an atom name by index */
+QString ATOMICGUI_AtomicMolecule::atomName( const int index ) const
+{
+ QString n;
+ if ( index >= 0 and index < myAtoms.count() )
+ n = myAtoms[ index ].name();
+ return n;
+}
+
+/*! Gets an atom x coordinate by index */
+double ATOMICGUI_AtomicMolecule::atomX( const int index ) const
+{
+ if ( index >= 0 and index < myAtoms.count() )
+ return myAtoms[ index ].x();
+ return 0;
+}
+
+/*! Gets an atom y coordinate by index */
+double ATOMICGUI_AtomicMolecule::atomY( const int index ) const
+{
+ if ( index >= 0 and index < myAtoms.count() )
+ return myAtoms[ index ].y();
+ return 0;
+}
+
+/*! Gets an atom z coordinate by index */
+double ATOMICGUI_AtomicMolecule::atomZ( const int index ) const
+{
+ if ( index >= 0 and index < myAtoms.count() )
+ return myAtoms[ index ].z();
+ return 0;
+}
+
+/*! Sets a name to the molecule or atom */
+void ATOMICGUI_AtomicMolecule::setName( const QString& name, const int index )
+{
+ if ( index < 0 )
+ myName = name;
+ else if ( index >= 0 and index < myAtoms.count() )
+ myAtoms[ index ].myName = name;
+}
