/* $Revision: 7636 $ $Author: nielsout $ $Date: 2007-01-04 18:46:10 +0100 (Thu, 04 Jan 2007) $
*
* Copyright (C) 2007 Niels Out <nielsout@users.sf.net>
* Copyright (C) 2008 Stefan Kuhn (undo redo)
* Copyright (C) 2008 Arvid Berg <goglepox@users.sf.net>
*
* Contact: cdk-devel@lists.sourceforge.net
*
* This program 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, or (at your option) any later version.
* All I ask is that proper credit is given for my work, which includes
* - but is not limited to - adding the above copyright notice to the beginning
* of your source code files, and to any copyright notice that you may distribute
* with programs based on this work.
*
* This program 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 program; if not, write to the Free Software
* Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
*/
package org.openscience.jchempaint.controller;
import java.util.HashSet;
import java.util.Set;
import javax.vecmath.Point2d;
import org.openscience.cdk.interfaces.IAtom;
import org.openscience.cdk.interfaces.IAtomContainer;
import org.openscience.jchempaint.renderer.selection.MultiSelection;
/**
* Changes (Increases or Decreases) Formal Charge of an atom
*
* @author Niels Out
* @cdk.svnrev $Revision: 9162 $
* @cdk.module controlbasic
*/
public class ChangeFormalChargeModule extends ControllerModuleAdapter {
private int change = 0;
private String ID;
public ChangeFormalChargeModule(IChemModelRelay chemModelRelay, int change) {
super(chemModelRelay);
this.change = change;
}
public void mouseClickedDown(Point2d worldCoord) {
IAtomContainer selectedAC = getSelectedAtomContainer( worldCoord );
if(selectedAC == null) return;
Set<IAtom> newSelection = new HashSet<IAtom>();
for(IAtom atom:selectedAC.atoms()) {
newSelection.add( atom );
int newCharge = change;
if( atom.getFormalCharge() != null)
newCharge += atom.getFormalCharge();
chemModelRelay.setCharge(atom, newCharge);
}
setSelection( new MultiSelection<IAtom>(newSelection) );
chemModelRelay.updateView();// FIXME do you really need to call it here?
}
public String getDrawModeString() {
if (change < 0)
return "Decrease Charge";
else
return "Increase Charge";
}
public String getID() {
return ID;
}
public void setID(String ID) {
this.ID=ID;
}
}