/* $RCSfile$
* $Author$
* $Date$
* $Revision$
*
* Copyright (C) 1997-2007 Egon Willighagen <egonw@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.
*
* 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.cdk.renderer.color;
import java.awt.Color;
import org.openscience.cdk.interfaces.IAtom;
/**
* Class defining the color which with atoms are colored.
*
* <p>This scheme used the atomic partial charge to determine
* the Atom's color:
* uncharged atoms are colored white, positively charged
* atoms are blue, and negatively charge atoms are red.
*
* @cdk.module render
* @cdk.githash
* @cdk.keyword atom coloring, partial charges
*/
public class PartialAtomicChargeColors implements IAtomColorer {
public Color getAtomColor(IAtom atom) {
return getAtomColor(atom, Color.white);
}
public Color getAtomColor(IAtom atom, Color defaultColor) {
Color color = defaultColor;
double charge = atom.getCharge();
if (charge > 0.0) {
if (charge < 1.0) {
int index = 255 - (int)(charge*255.0);
color = new Color(index, index, 255);
} else {
color = Color.blue;
}
} else if (charge < 0.0) {
if (charge > -1.0) {
int index = 255 + (int)(charge*255.0);
color = new Color(255, index, index);
} else {
color = Color.red;
}
}
return color;
}
}