/* $Revision$ $Author$ $Date$
*
* Copyright (C) 2009 Gilleain Torrance <gilleain.torrance@gmail.com>
*
* Contact: cdk-devel@list.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.
*
* 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.renderer.generators;
import java.awt.Color;
import java.util.HashMap;
import java.util.List;
import java.util.Map;
import javax.vecmath.Point2d;
import org.openscience.cdk.geometry.GeometryTools;
import org.openscience.cdk.interfaces.IAtom;
import org.openscience.cdk.interfaces.IAtomContainer;
import org.openscience.cdk.interfaces.ISingleElectron;
import org.openscience.cdk.renderer.RendererModel;
import org.openscience.cdk.renderer.generators.IGenerator;
import org.openscience.cdk.renderer.generators.IGeneratorParameter;
import org.openscience.jchempaint.renderer.JChemPaintRendererModel;
import org.openscience.cdk.renderer.elements.ElementGroup;
import org.openscience.cdk.renderer.elements.IRenderingElement;
import org.openscience.cdk.renderer.elements.OvalElement;
/**
* Generate the symbols for radicals.
*
* @author maclean
* @cdk.module renderextra
*
*/
public class RadicalGenerator implements IGenerator<IAtomContainer> {
public RadicalGenerator() {}
public IRenderingElement generate(IAtomContainer ac, RendererModel model) {
JChemPaintRendererModel jcpModel = (JChemPaintRendererModel) model;
ElementGroup group = new ElementGroup();
// TODO : put into RendererModel
final double SCREEN_RADIUS = 2.0;
final Color RADICAL_COLOR = Color.BLACK;
// XXX : is this the best option?
final double ATOM_RADIUS = jcpModel.getAtomRadius() / jcpModel.getScale();
double modelRadius = SCREEN_RADIUS / jcpModel.getScale();
Map<IAtom,Integer> singleElectronsPerAtom = new HashMap<IAtom, Integer>();
for (ISingleElectron e : ac.singleElectrons()) {
IAtom atom = e.getAtom();
if(singleElectronsPerAtom.get(atom)==null)
singleElectronsPerAtom.put(atom,0);
Point2d p = atom.getPoint2d();
int align = GeometryTools.getBestAlignmentForLabelXY(ac, atom);
double rx = p.x;
double ry = p.y;
if (align == 1) {
rx += ATOM_RADIUS+singleElectronsPerAtom.get(atom)*ATOM_RADIUS;
} else if (align == -1) {
rx -= ATOM_RADIUS+singleElectronsPerAtom.get(atom)*ATOM_RADIUS;
} else if (align == 2) {
ry -= ATOM_RADIUS;
} else if (align == -2) {
ry += ATOM_RADIUS;
}
singleElectronsPerAtom.put(atom, singleElectronsPerAtom.get(atom)+1);
group.add(
new OvalElement(rx, ry, modelRadius, true, RADICAL_COLOR));
}
return group;
}
public List<IGeneratorParameter<?>> getParameters() {
// TODO Auto-generated method stub
return null;
}
}