// ******************************************************************************
   //
   // Title:       Force Field X.
   // Description: Force Field X - Software for Molecular Biophysics.
   // Copyright:   Copyright (c) Michael J. Schnieders 2001-2024.
   //
   // This file is part of Force Field X.
   //
   // Force Field X is free software; you can redistribute it and/or modify it
  // under the terms of the GNU General Public License version 3 as published by
  // the Free Software Foundation.
  //
  // Force Field X is distributed in the hope that it will be useful, but WITHOUT
  // ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
  // FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
  // details.
  //
  // You should have received a copy of the GNU General Public License along with
  // Force Field X; if not, write to the Free Software Foundation, Inc., 59 Temple
  // Place, Suite 330, Boston, MA 02111-1307 USA
  //
  // Linking this library statically or dynamically with other modules is making a
  // combined work based on this library. Thus, the terms and conditions of the
  // GNU General Public License cover the whole combination.
  //
  // As a special exception, the copyright holders of this library give you
  // permission to link this library with independent modules to produce an
  // executable, regardless of the license terms of these independent modules, and
  // to copy and distribute the resulting executable under terms of your choice,
  // provided that you also meet, for each linked independent module, the terms
  // and conditions of the license of that module. An independent module is a
  // module which is not derived from or based on this library. If you modify this
  // library, you may extend this exception to your version of the library, but
  // you are not obligated to do so. If you do not wish to do so, delete this
  // exception statement from your version.
  //
  // ******************************************************************************
  package ffx.crystal;
  
  import static org.apache.commons.math3.util.FastMath.PI;
  
  import java.util.Objects;
  
  /**
   * The HKL class represents a single reflection.
   *
   * @author Timothy D. Fenn
   * @see ReflectionList
   * @since 1.0
   */
  public class HKL {
  
    /** Constant <code>ndiv=12.0</code> */
    static final double ndiv = 12.0;
  
    protected int h;
    protected int k;
    protected int l;
    protected int epsilon;
    protected int allowed;
    protected int bin;
    protected int index;
  
    /** Constructor for HKL. */
    public HKL() {
    }
  
    /**
     * Constructor for HKL.
     *
     * @param h an int.
     * @param k an int.
     * @param l an int.
     */
    public HKL(int h, int k, int l) {
      this.h = h;
      this.k = k;
      this.l = l;
      allowed = 255;
    }
  
    /**
     * Constructor for HKL.
     *
     * @param h an int.
     * @param k an int.
     * @param l an int.
     * @param eps an int.
     * @param allowed an int.
     */
    public HKL(int h, int k, int l, int eps, int allowed) {
      this.h = h;
      this.k = k;
      this.l = l;
      this.epsilon = eps;
      this.allowed = allowed;
    }
  
    /**
    * neg
    *
    * @return a {@link ffx.crystal.HKL} object.
    */
   public HKL neg() {
     return new HKL(-h, -k, -l);
   }
 
   /**
    * sysAbs
    *
    * @return a boolean.
    */
   public boolean sysAbs() {
     return (epsilon == 0);
   }
 
   /**
    * quadForm
    *
    * @param mat an array of double.
    * @return a double.
    */
   public double quadForm(double[][] mat) {
     return h * (h * mat[0][0] + 2 * (k * mat[0][1] + l * mat[0][2]))
         + k * (k * mat[1][1] + 2 * (l * mat[1][2]))
         + l * l * mat[2][2];
   }
 
   /**
    * getAllowed
    *
    * @return a double.
    */
   public double getAllowed() {
     return ((double) allowed) * (PI / ndiv);
   }
 
   /**
    * setAllowed
    *
    * @param allowed an int.
    */
   public void setAllowed(int allowed) {
     this.allowed = allowed;
   }
 
   /**
    * getBin
    *
    * @return an int.
    */
   public int getBin() {
     return bin;
   }
 
   /**
    * setBin
    *
    * @param bin an int.
    */
   public void setBin(int bin) {
     this.bin = bin;
   }
 
   /**
    * centric
    *
    * @return a boolean.
    */
   public boolean centric() {
     return (allowed != 255);
   }
 
   /**
    * getEpsilon
    *
    * @return an int.
    */
   public int getEpsilon() {
     return epsilon;
   }
 
   /**
    * setEpsilon
    *
    * @param eps an int.
    */
   public void setEpsilon(int eps) {
     this.epsilon = eps;
   }
 
   /**
    * epsilonc
    *
    * @return an int.
    */
   public int epsilonc() {
     if (centric()) {
       return 2 * epsilon;
     } else {
       return epsilon;
     }
   }
 
   /** {@inheritDoc} */
   @Override
   public boolean equals(Object o) {
     if (this == o) {
       return true;
     }
     if (o == null || getClass() != o.getClass()) {
       return false;
     }
     HKL hkl = (HKL) o;
     return (h == hkl.getH() && k == hkl.getK() && l == hkl.getL());
   }
 
   /**
    * h
    *
    * @return an int.
    */
   public int getH() {
     return h;
   }
 
   /**
    * h
    *
    * @param h an int.
    */
   public void setH(int h) {
     this.h = h;
   }
 
   /** {@inheritDoc} */
   @Override
   public int hashCode() {
     return Objects.hash(h, k, l);
   }
 
   /**
    * index
    *
    * @return an int.
    */
   public int getIndex() {
     return index;
   }
 
   /**
    * index
    *
    * @param index an int.
    */
   public void setIndex(int index) {
     this.index = index;
   }
 
   /**
    * k
    *
    * @return an int.
    */
   public int getK() {
     return k;
   }
 
   /**
    * k
    *
    * @param k an int.
    */
   public void setK(int k) {
     this.k = k;
   }
 
   /**
    * l
    *
    * @return an int.
    */
   public int getL() {
     return l;
   }
 
   /**
    * l
    *
    * @param l an int.
    */
   public void setL(int l) {
     this.l = l;
   }
 
   /** {@inheritDoc} */
   @Override
   public String toString() {
     return h + " " + k + " " + l
         + "(allowed: " + allowed + " eps: " + epsilon + ") ";
   }
 }