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Open Source Chemistry Library
/*
* 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.properties.complexity;
public class ResultObjective {
private static final double DEFAULT_FACTOR = -1;
private double score;
private double slope;
private double slopeFragments;
private double slopeR2;
private int nRegressionPoints;
private double factorIsomorphSymmetric;
public ResultObjective() {
factorIsomorphSymmetric = DEFAULT_FACTOR;
}
/**
* @return the score
*/
public double getScore() {
return score;
}
/**
* @param score the score to set
*/
protected void setScore(double score) {
this.score = score;
}
/**
* @return the slopeR2
*/
protected double getSlopeR2() {
return slopeR2;
}
/**
* @param slopeR2 the slopeR2 to set
*/
protected void setSlopeR2(double slopeR2) {
this.slopeR2 = slopeR2;
}
/**
* @return the slopeFragments
*/
public double getSlopeFragments() {
return slopeFragments;
}
/**
* @param slopeFragments the slopeFragments to set
*/
public void setSlopeFragments(double slopeFragments) {
this.slopeFragments = slopeFragments;
}
/**
* @return the slope
*/
public double getSlope() {
return slope;
}
/**
* @param slope the slope to set
*/
protected void setSlope(double slope) {
this.slope = slope;
}
/**
* @return the factorIsomorphSymmetric
*/
public double getFactorIsomorphSymmetric() {
return factorIsomorphSymmetric;
}
/**
* @param factorIsomorphSymmetric the factorIsomorphSymmetric to set
*/
protected void setFactorIsomorphSymmetric(double factorIsomorphSymmetric) {
this.factorIsomorphSymmetric = factorIsomorphSymmetric;
}
/**
* @return the nRegressionPoints
*/
public int getNumRegressionPoints() {
return nRegressionPoints;
}
/**
* @param nRegressionPoints the nRegressionPoints to set
*/
protected void setNumRegressionPoints(int nRegressionPoints) {
this.nRegressionPoints = nRegressionPoints;
}
public String toString() {
StringBuilder builder = new StringBuilder();
builder.append("ResultObjective [score=");
builder.append(score);
builder.append(", slope=");
builder.append(slope);
builder.append(", slopeFrags=");
builder.append(slopeFragments);
builder.append(", points=");
builder.append(nRegressionPoints);
builder.append(", fac isomorph symm=");
builder.append(factorIsomorphSymmetric);
builder.append("]");
return builder.toString();
}
}