com.actelion.research.chem.mcs.ModelSampleFragments Maven / Gradle / Ivy

Go to download
Show more of this group Show more artifacts with this name
Show all versions of openchemlib Show documentation
Open Source Chemistry Library
There is a newer version: 2024.11.2
package com.actelion.research.chem.mcs;

import java.util.Comparator;

/*
* 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.
*
*/
public class ModelSampleFragments {

    private int bondsFragment;
    private int uniqueFragments;
    private int uniqueFragmentsEstimated;

    public ModelSampleFragments(int bondsFragment) {
        this.bondsFragment = bondsFragment;
    }

    public ModelSampleFragments(int bondsFragment, int uniqueFragments, int uniqueFragmentsEstimated) {
        this.bondsFragment = bondsFragment;
        this.uniqueFragments = uniqueFragments;
        this.uniqueFragmentsEstimated = uniqueFragmentsEstimated;
    }

    public int getBondsFragment() {
        return bondsFragment;
    }

    public int getUniqueFragmentsEstimated() {
        return uniqueFragmentsEstimated;
    }

    public int getUniqueFragments() {
        return uniqueFragments;
    }

    public void setUniqueFragmentsEstimated(int uniqueFragmentsEstimated) {
        this.uniqueFragmentsEstimated = uniqueFragmentsEstimated;
    }

    @Override
    public String toString() {
        final StringBuilder sb = new StringBuilder("ModelSampleFragments{");
        sb.append("bondsFragment=").append(bondsFragment);
        sb.append(", uniqueFragments=").append(uniqueFragments);
        sb.append(", uniqueFragmentsEstimated=").append(uniqueFragmentsEstimated);
        sb.append('}');
        return sb.toString();
    }

    public static Comparator getComparatorBonds(){
        return new Comparator() {
            @Override
            public int compare(ModelSampleFragments o1, ModelSampleFragments o2) {
                int cmp = 0;

                if(o1.bondsFragment > o2.bondsFragment){
                    cmp = 1;
                }else if(o1.bondsFragment < o2.bondsFragment){
                    cmp = -1;
                }

                return cmp;
            }
        };
    }

}