org.openscience.cdk.hash.stereo.BasicPermutationParity Maven / Gradle / Ivy
/*
* Copyright (c) 2013 John May
*
* Contact: [email protected]
*
* 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 U
*/
package org.openscience.cdk.hash.stereo;
/**
* A basic implementation suitable for determining the parity of the indicates a
* provided sub-array.
*
* @author John May
* @cdk.module hash
* @cdk.githash
*/
final class BasicPermutationParity extends PermutationParity {
private final int[] indices;
/**
* Create a permutation parity for the provided indices.
*
* @param indices sub-array of indices
* @throws NullPointerException the provided indices were null
* @throws IllegalArgumentException less then two indices provided
*/
public BasicPermutationParity(int[] indices) {
if (indices == null) throw new NullPointerException("no indices[] provided");
if (indices.length < 2)
throw new IllegalArgumentException("at least 2 incides required,"
+ "use PermutationParity.IDENTITY for single neighbors");
this.indices = indices;
}
/**
* The number values to check is typically small ({@literal < 5}) and thus
* we use brute-force to count the number of inversions.
*
*{@inheritDoc}
*/
@Override
public int parity(long[] current) {
int count = 0;
for (int i = 0, n = indices.length; i < n; i++) {
for (int j = i + 1; j < n; j++) {
int cmp = compare(current[indices[i]], current[indices[j]]);
if (cmp == 0)
return 0;
else if (cmp > 0) count++;
}
}
// value is odd, -1 or value is even +1
return Integer.lowestOneBit(count) == 1 ? -1 : +1;
}
// TODO is CDK on JDK 7? this can be replaced with Long.compare(long, long)
private static int compare(long a, long b) {
return a > b ? +1 : a < b ? -1 : 0;
}
}
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