content: /*
  * 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.interactionstatistics;
  
  import com.actelion.research.util.ArrayUtils;
  import com.actelion.research.util.FastSpline;
  
  /**
   * Class used to represent a Protein Ligand Function
   * 
   */
  public class SplineFunction {
  	
  	private int[] occurencesArray;
  	private FastSpline spline, derivate;	
  	private double[] discreteFunction;
  
  
  	public int[] getOccurencesArray() {
  		return occurencesArray;
  	}
  	
  	public void setOccurencesArray(int[] occurencesArray) {
  		this.occurencesArray = occurencesArray;
  	}
  	
  	public void setDiscreteFunction(double[] discreteFunction) {
  		this.discreteFunction = discreteFunction;
  	}
  	
  	public void setSplineFunction(FastSpline spline) {
  		this.spline = spline;
  		this.derivate = spline.derivative();
  	}
  	
  	public int getTotalOccurences() {
  		return ArrayUtils.sum(occurencesArray);		
  	}
  	
  	public double[] getFGValue(double v) {
  		if(spline==null) return new double[]{0.0, 0.0};
  		try{		
  			double value = spline.value(v);
  			double dev = derivate.value(v);
  			return new double[]{value, dev};
  		} catch (ArrayIndexOutOfBoundsException e) {
  			return new double[]{0.0, 0.0};
  		}
  	}
  	
  	public double getDiscreteValue(double d) {
  		int index = (int) (0.5+d/InteractionDistanceStatistics.BIN_SIZE);
  		return discreteFunction[index];
  	}
  	
  	public FastSpline getSpline() {
  		return spline;
  	}
  
  
  }
  