// ******************************************************************************
   //
   // Title:       Force Field X.
   // Description: Force Field X - Software for Molecular Biophysics.
   // Copyright:   Copyright (c) Michael J. Schnieders 2001-2025.
   //
   // 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.openmm;
  
  import static edu.uiowa.jopenmm.OpenMMLibrary.OpenMM_AndersenThermostat_create;
  import static edu.uiowa.jopenmm.OpenMMLibrary.OpenMM_AndersenThermostat_destroy;
  import static edu.uiowa.jopenmm.OpenMMLibrary.OpenMM_AndersenThermostat_getDefaultCollisionFrequency;
  import static edu.uiowa.jopenmm.OpenMMLibrary.OpenMM_AndersenThermostat_getDefaultTemperature;
  import static edu.uiowa.jopenmm.OpenMMLibrary.OpenMM_AndersenThermostat_getRandomNumberSeed;
  import static edu.uiowa.jopenmm.OpenMMLibrary.OpenMM_AndersenThermostat_setDefaultCollisionFrequency;
  import static edu.uiowa.jopenmm.OpenMMLibrary.OpenMM_AndersenThermostat_setDefaultTemperature;
  import static edu.uiowa.jopenmm.OpenMMLibrary.OpenMM_AndersenThermostat_setRandomNumberSeed;
  import static edu.uiowa.jopenmm.OpenMMLibrary.OpenMM_AndersenThermostat_usesPeriodicBoundaryConditions;
  import static edu.uiowa.jopenmm.OpenMMLibrary.OpenMM_Boolean.OpenMM_False;
  
  /**
   * This class uses the Andersen method to maintain constant temperature.
   */
  public class AndersenThermostat extends Force {
  
    /**
     * Create an AndersenThermostat.
     *
     * @param defaultTemperature        the default temperature of the heat bath (in Kelvin)
     * @param defaultCollisionFrequency the default collision frequency (in 1/ps)
     */
    public AndersenThermostat(double defaultTemperature, double defaultCollisionFrequency) {
      super(OpenMM_AndersenThermostat_create(defaultTemperature, defaultCollisionFrequency));
    }
  
    /**
     * Destroy the force.
     */
    @Override
    public void destroy() {
      if (pointer != null) {
        OpenMM_AndersenThermostat_destroy(pointer);
        pointer = null;
      }
    }
  
    /**
     * Get the default collision frequency (in 1/ps).
     *
     * @return the default collision frequency (in 1/ps).
     */
    public double getDefaultCollisionFrequency() {
      return OpenMM_AndersenThermostat_getDefaultCollisionFrequency(pointer);
    }
  
    /**
     * Get the default temperature of the heat bath (in Kelvin).
     *
     * @return the default temperature of the heat bath, measured in Kelvin.
     */
    public double getDefaultTemperature() {
      return OpenMM_AndersenThermostat_getDefaultTemperature(pointer);
    }
  
    /**
     * Get the random number seed.  See setRandomNumberSeed() for details.
     */
    public int getRandomNumberSeed() {
      return OpenMM_AndersenThermostat_getRandomNumberSeed(pointer);
   }
 
   /**
    * Set the default collision frequency.  This will affect any new Contexts you create,
    * but not ones that already exist.
    *
    * @param frequency the default collision frequency (in 1/ps)
    */
   public void setDefaultCollisionFrequency(double frequency) {
     OpenMM_AndersenThermostat_setDefaultCollisionFrequency(pointer, frequency);
   }
 
   /**
    * Set the default temperature of the heat bath.  This will affect any new Contexts you create,
    * but not ones that already exist.
    *
    * @param temperature the default temperature of the heat bath (in Kelvin)
    */
   public void setDefaultTemperature(double temperature) {
     OpenMM_AndersenThermostat_setDefaultTemperature(pointer, temperature);
   }
 
   /**
    * Set the random number seed.  The precise meaning of this parameter is undefined, and is left up
    * to each Platform to interpret in an appropriate way.  It is guaranteed that if two simulations
    * are run with different random number seeds, the sequence of collisions will be different.  On
    * the other hand, no guarantees are made about the behavior of simulations that use the same seed.
    * In particular, Platforms are permitted to use non-deterministic algorithms which produce different
    * results on successive runs, even if those runs were initialized identically.
    * <p>
    * If seed is set to 0 (which is the default value assigned), a unique seed is chosen when a Context
    * is created from this Force. This is done to ensure that each Context receives unique random seeds
    * without you needing to set them explicitly.
    *
    * @param seed the random number seed.
    */
   public void setRandomNumberSeed(int seed) {
     OpenMM_AndersenThermostat_setRandomNumberSeed(pointer, seed);
   }
 
   /**
    * Returns whether or not this force makes use of periodic boundary
    * conditions.
    *
    * @return true if force uses PBC and false otherwise
    */
   @Override
   public boolean usesPeriodicBoundaryConditions() {
     int pbc = OpenMM_AndersenThermostat_usesPeriodicBoundaryConditions(pointer);
     return pbc != OpenMM_False;
   }
 }