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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.prediction;

import com.actelion.research.calc.ThreadMaster;
import com.actelion.research.chem.IDCodeParser;
import com.actelion.research.chem.SSSearcher;
import com.actelion.research.chem.SSSearcherWithIndex;
import com.actelion.research.chem.StereoMolecule;

public class DruglikenessPredictorWithIndex {
	public static final double cDruglikenessUnknown = -999;

	private static IncrementTableWithIndex	sIncrementTable;
    private static boolean					sInitialized = false;
	private static StereoMolecule[]			sFragmentList;

	public DruglikenessPredictorWithIndex() {
		synchronized(DruglikenessPredictorWithIndex.class) {
			if (!sInitialized) {
		        try {
					sIncrementTable = new IncrementTableWithIndex("/resources/druglikeness.txt");
					sFragmentList = new StereoMolecule[sIncrementTable.getSize()];
					for (int i=0; i