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/*
 * Copyright 2017 Idorsia Pharmaceuticals Ltd., Hegenheimermattweg 91, CH-4123 Allschwil, Switzerland
 *
 * This file is part of DataWarrior.
 * 
 * DataWarrior is free software: you can redistribute it and/or modify it under the terms of the
 * GNU General Public License as published by the Free Software Foundation, either version 3 of
 * the License, or (at your option) any later version.
 * 
 * DataWarrior 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 General Public License for more details.
 * You should have received a copy of the GNU General Public License along with DataWarrior.
 * If not, see http://www.gnu.org/licenses/.
 *
 * @author Thomas Sander
 */

package com.actelion.research.chem.descriptor;

/**
 * This is a descriptor handler, where the input object is an integer array
 * that typically represents counts of some sort. This class may be used
 * if input objects are more complex and the descriptors derived from them
 * can be represented as integer vectors.
* This class provides similarity calculation and descriptor en- and decoding. */ public class DescriptorHandlerIntVector implements DescriptorHandler { protected static final int[] FAILED_OBJECT = new int[0]; private static final double CORRECTION_FACTOR = 0.42; private double correctionFactor; public DescriptorHandlerIntVector() { correctionFactor = CORRECTION_FACTOR; } public void setCorrectionFactor(double correctionFactor) { this.correctionFactor = correctionFactor; } @Override public float getSimilarity(int[] d1, int[] d2) { if (d1 == null || d2 == null) return Float.NaN; int total = 0; int matching = 0; for (int i=0; i= 1.0f ? 1.0f : (float)(1.0-Math.pow(1-Math.pow(value, correctionFactor) ,1.0/correctionFactor)); } @Override public DescriptorInfo getInfo() { return DescriptorConstants.DESCRIPTOR_IntegerVector; } @Override public String getVersion() { return DescriptorConstants.DESCRIPTOR_IntegerVector.version; } @Override public String encode(int[] d) { return calculationFailed(d) ? FAILED_STRING : new String(new DescriptorEncoder().encodeIntArray(d)); } @Override public int[] decode(String s) { return s == null ? null : new DescriptorEncoder().decodeIntArray(s); } @Override public int[] decode(byte[] bytes) { return bytes == null ? null : new DescriptorEncoder().decodeIntArray(bytes); } @Override public int[] createDescriptor(U o) { return (int[])o; // the object is the descriptor } @Override public boolean calculationFailed(int[] d) { return d==null || d.length==0; } @Override public DescriptorHandler getThreadSafeCopy() { return this; } }




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