com.actelion.research.chem.descriptor.flexophore.SlidingWindowDistHist Maven / Gradle / Ivy

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package com.actelion.research.chem.descriptor.flexophore;

import com.actelion.research.calc.filter.SlidingWindow;
import com.actelion.research.chem.descriptor.flexophore.completegraphmatcher.ObjectiveFlexophoreHardMatchUncovered;
import com.actelion.research.chem.descriptor.flexophore.generator.ConstantsFlexophoreGenerator;
import com.actelion.research.util.ArrayUtils;

/**
 * SlidingWindowDistHist
 * Created by korffmo1 on 01.03.16.
 */
public class SlidingWindowDistHist {


    private double [] arrFilter;
    private byte [] arrTmp;

    private int lenFilHalf;

    public SlidingWindowDistHist(double[] arrFilter) {

        this.arrFilter = arrFilter;

        if(arrFilter.length % 2 == 0){
            throw new RuntimeException("Odd number of filter values needed!");
        }

        lenFilHalf = arrFilter.length / 2;

        int n = ObjectiveFlexophoreHardMatchUncovered.MAX_NUM_NODES_FLEXOPHORE;

        int maxNumDistHist = ((n*n)-n)/2;

        arrTmp = new byte[ConstantsFlexophoreGenerator.BINS_HISTOGRAM * maxNumDistHist];
    }

    public void apply(DistHist distHist){

        int nNodes = distHist.getNumPPNodes();

        int n = ConstantsFlexophoreGenerator.BINS_HISTOGRAM;

        int end = n - lenFilHalf;

        for (int i = 0; i < nNodes; i++) {

            for (int j = i+1; j < nNodes; j++) {

                int indexStart = distHist.getIndexPosStartForDistHist(i,j);

                for (int k = lenFilHalf; k < end; k++) {

                    double v = 0;

                    for (int l = 0; l < arrFilter.length; l++) {

                        int ind = k - lenFilHalf + l + indexStart;

                        v +=  distHist.getValueAtAbsolutePosition(ind) * arrFilter[l];

                    }

                    arrTmp[indexStart+k] = (byte)(v+0.5);
                }
            }
        }

        System.arraycopy(arrTmp, 0, distHist.arrDistHists, 0, distHist.arrDistHists.length);
    }







}