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/*
* Copyright (c) 1997 - 2016
* Actelion Pharmaceuticals Ltd.
* Gewerbestrasse 16
* CH-4123 Allschwil, Switzerland
*
* All rights reserved.
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
*    list of conditions and the following disclaimer.
* 2. Redistributions in binary form must reproduce the above copyright notice,
*    this list of conditions and the following disclaimer in the documentation
*    and/or other materials provided with the distribution.
* 3. Neither the name of the the copyright holder nor the
*    names of its contributors may be used to endorse or promote products
*    derived from this software without specific prior written permission.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*
*/

package com.actelion.research.chem;

import com.actelion.research.calc.DataProcessor;

import java.util.Arrays;
import java.util.Comparator;

public class DiversitySelector extends DataProcessor {
	private int			mNoOfFeatures,mExistingSetCount;
	private long[][] 	mFeatureList;
	private boolean		mAddingToExistingSet;
	private double[]	mCentroidVector;

	public DiversitySelector() {
		super();
		}

	public void initializeExistingSet(int noOfKeys) {
		mFeatureList = new long[1][];
		mCentroidVector = new double[noOfKeys];
		mExistingSetCount = 0;
	    }

	public void addToExistingSet(long[] featureList) {
		mFeatureList[0] = featureList;
		DiversitySelectorRecord record = new DiversitySelectorRecord(0);
		record.addToCentroidVector();
		mAddingToExistingSet = true;
		mExistingSetCount++;
    	}


	public void setExistingSet(long[][] featureList) {
		// create centroid vector based on already selected set of compounds
		mCentroidVector = new double[64*featureList[0].length];
		mFeatureList = featureList;
		for (int compound=0; compound compoundsAvailable)
			compoundsToSelect = compoundsAvailable;

		startProgress("Creating Key Lists...", 0, compoundsAvailable);

		DiversitySelectorRecord[] recordList = new DiversitySelectorRecord[compoundsAvailable];
		for (int compound=0; compound compoundsAvailable)
				lastCompoundToConsider = compoundsAvailable;

			for (int i=compound; i());
			recordList[compound].addToCentroidVector();
			selectionCycle++;
/*
for (int i=compound; i implements Comparator {
        public int compare(T o1, T o2) {
            double d1 = ((DiversitySelectorRecord)o1).mDotProduct;
            double d2 = ((DiversitySelectorRecord)o2).mDotProduct;
            return (d1 < d2) ? -1 : (d1 == d2) ? 0 : 1;
            }
        }
    }