/* $RCSfile$
* $Author$
* $Date$
* $Revision$
*
* Copyright (C) 2002-2007 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.ringsearch;
import org.openscience.cdk.annotations.TestClass;
import org.openscience.cdk.annotations.TestMethod;
import org.openscience.cdk.interfaces.IAtom;
import org.openscience.cdk.interfaces.IAtomContainer;
import java.util.Vector;
/**
* Implementation of a Path as needed by {@cdk.cite HAN96}.
*
* @cdk.module standard
* @cdk.githash
*
* @cdk.keyword graph, path
*
* @author steinbeck
* @cdk.created 2002-02-28
*/
@TestClass("org.openscience.cdk.ringsearch.PathTest")
public class Path extends Vector
{
private static final long serialVersionUID = -1086494171897189629L;
/**
* Constructs an empty path
*/
public Path()
{
super();
}
/**
* Constructs a new Path with two Atoms
*
* @param atom1 first atom in the new path
* @param atom2 second atom in the new path
*/
public Path(IAtom atom1, IAtom atom2)
{
super();
add(atom1);
add(atom2);
}
/**
* Joins two paths. The joint point is given by an atom
* which is shared by the two pathes.
*
* @param path1 First path to join
* @param path2 Second path to join
* @param atom The atom which is the joint point
* @return The newly formed longer path
*/
@TestMethod("testJoin")
public static Path join(Path path1, Path path2, IAtom atom)
{
Path newPath = new Path();
Path tempPath = new Path();
if (path1.firstElement() == atom)
{
path1.revert();
}
newPath.addAll(path1);
if (path2.lastElement() == atom)
{
path2.revert();
}
tempPath.addAll(path2);
tempPath.remove(atom);
newPath.addAll(tempPath);
return newPath;
}
@TestMethod("testGetIntersectionSize")
public int getIntersectionSize(Path other)
{
IAtom a1, a2;
int iSize = 0;
for (int i = 0; i < size(); i++)
{
a1 = (IAtom)elementAt(i);
for (int j = 0; j < other.size(); j++)
{
a2 = (IAtom)other.elementAt(j);
if (a1 == a2) iSize++;
}
}
return iSize;
}
private void revert()
{
Object o = null;
int size = size();
int i = (int)(size / 2);
for (int f = 0; f < i; f++)
{
o = elementAt(f);
setElementAt(elementAt(size - f -1), f);
setElementAt(o, size - f - 1);
}
}
public String toString(IAtomContainer ac)
{
String s = "Path of length " + size() + ": ";
try
{
for (int f = 0; f < size(); f++)
{
s += ac.getAtomNumber((IAtom)elementAt(f)) + " ";
}
}
catch(Exception exc)
{
// logger.error(exc);
s += "Could not create a string representaion of this path";
}
return s;
}
}