/*
* Copyright (c) 1997 - 2016
* Actelion Pharmaceuticals Ltd.
* Gewerbestrasse 16
* CH-4123 Allschwil, Switzerland
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* All rights reserved.
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* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
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* 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
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* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
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* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
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package com.actelion.research.chem.properties.fractaldimension;

import com.actelion.research.util.Formatter;

/**
 * ResultFracDimCalc
 * <p>Modest v. Korff</p>
 * <p>
 * Created by korffmo1 on 28.08.18.
 */
public class ResultFracDimCalc extends InputObjectFracDimCalc {

    public static final String TAG_SMILES = "SMILES";

    public static final String TAG_ID = "MoleculeId";

    public static final String TAG_SUM_UNIQUE_FRAGMENTS_CALC = "SumUniqueFragmentsCalculated";

    public static final String TAG_BONDS_AT_MAX_FRAGS_CALC = "BondNumberAtMaxNumFragCalculated";

    public static final String TAG_MAX_NUM_UNIQUE_FRAGMENTS_CALC = "MaxNumUniqueFragmentsCalculated";

    public static final String TAG_FRACTAL_DIM = "FractalDimension";
    public static final String TAG_MESSAGE = "Message";

    public static final String [] ARR_TAGS = {
            TAG_SMILES,
            TAG_ID,
            TAG_SUM_UNIQUE_FRAGMENTS_CALC,
            TAG_BONDS_AT_MAX_FRAGS_CALC,
            TAG_MAX_NUM_UNIQUE_FRAGMENTS_CALC,
            TAG_FRACTAL_DIM,
            TAG_MESSAGE};


    public static final String SEP = "\t";

    int idMolecule;

    double fractalDimension;

    int bondsAtMaxFrag;

    int maxNumUniqueFrags;

    int sumUniqueFrags;

    String message;

    public ResultFracDimCalc(InputObjectFracDimCalc inputObjectFracDimCalc) {
        super(inputObjectFracDimCalc);

        idMolecule = -1;

        fractalDimension = Double.NaN;

        bondsAtMaxFrag = -1;

        maxNumUniqueFrags = -1;

        sumUniqueFrags = -1;

        message = "";
    }

    public double getFractalDimension() {
        return fractalDimension;
    }

    public int getBondsAtMaxFrag() {
        return bondsAtMaxFrag;
    }

    public int getMaxNumUniqueFrags() {
        return maxNumUniqueFrags;
    }

    public int getSumUniqueFrags() {
        return sumUniqueFrags;
    }

    public String getMessage() {
        return message;
    }

    public String toString() {
        StringBuilder sb = new StringBuilder();

        sb.append(getSmiles());
        sb.append(SEP);
        sb.append(getId());
        sb.append(SEP);
        sb.append(getSumUniqueFrags());
        sb.append(SEP);
        sb.append(getBondsAtMaxFrag());
        sb.append(SEP);
        sb.append(getMaxNumUniqueFrags());
        sb.append(SEP);
        sb.append(Formatter.format3(getFractalDimension()));
        sb.append(SEP);
        sb.append(getMessage());

        return sb.toString();
    }

    public static String toStringHeader() {
        StringBuilder sb = new StringBuilder();

        sb.append(TAG_SMILES);
        sb.append(SEP);
        sb.append(TAG_ID);
        sb.append(SEP);
        sb.append(TAG_SUM_UNIQUE_FRAGMENTS_CALC);
        sb.append(SEP);
        sb.append(TAG_BONDS_AT_MAX_FRAGS_CALC);
        sb.append(SEP);
        sb.append(TAG_MAX_NUM_UNIQUE_FRAGMENTS_CALC);
        sb.append(SEP);
        sb.append(TAG_FRACTAL_DIM);
        sb.append(SEP);
        sb.append(TAG_MESSAGE);

        return sb.toString();
    }


}
