/* $RCSfile$
* $Author$
* $Date$
* $Revision$
*
* Copyright (C) 1997-2007 The Chemistry Development Kit (CDK) project
*
* 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 we ask is that proper credit is given for our 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.cdk.geometry;
import java.util.HashMap;
import javax.vecmath.Point2d;
import org.openscience.cdk.interfaces.IAtom;
import org.openscience.cdk.interfaces.IAtomContainer;
/**
* Tool to make projections from 3D to 2D
*
* @cdk.keyword projection in 2D
* @cdk.githash
*/
public class Projector {
public static void project2D(IAtomContainer container) {
for (int i = 0; i < container.getAtomCount(); i++) {
IAtom atom = container.getAtom(i);
if (atom.getPoint3d() != null) {
atom.setPoint2d(
new Point2d(
atom.getPoint3d().x,
atom.getPoint3d().y
)
);
} else {
// should throw an exception
}
}
}
public static void project2D(IAtomContainer container, HashMap renderingCoordinates) {
for (int i = 0; i < container.getAtomCount(); i++) {
IAtom atom = container.getAtom(i);
if (atom.getPoint3d() != null) {
atom.setPoint2d(
new Point2d(
atom.getPoint3d().x,
atom.getPoint3d().y
)
);
renderingCoordinates.put(atom,new Point2d(atom.getPoint3d().x,atom.getPoint3d().y));
} else {
// should throw an exception
}
}
}
}