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1   // ******************************************************************************
2   //
3   // Title:       Force Field X.
4   // Description: Force Field X - Software for Molecular Biophysics.
5   // Copyright:   Copyright (c) Michael J. Schnieders 2001-2024.
6   //
7   // This file is part of Force Field X.
8   //
9   // Force Field X is free software; you can redistribute it and/or modify it
10  // under the terms of the GNU General Public License version 3 as published by
11  // the Free Software Foundation.
12  //
13  // Force Field X is distributed in the hope that it will be useful, but WITHOUT
14  // ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
15  // FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
16  // details.
17  //
18  // You should have received a copy of the GNU General Public License along with
19  // Force Field X; if not, write to the Free Software Foundation, Inc., 59 Temple
20  // Place, Suite 330, Boston, MA 02111-1307 USA
21  //
22  // Linking this library statically or dynamically with other modules is making a
23  // combined work based on this library. Thus, the terms and conditions of the
24  // GNU General Public License cover the whole combination.
25  //
26  // As a special exception, the copyright holders of this library give you
27  // permission to link this library with independent modules to produce an
28  // executable, regardless of the license terms of these independent modules, and
29  // to copy and distribute the resulting executable under terms of your choice,
30  // provided that you also meet, for each linked independent module, the terms
31  // and conditions of the license of that module. An independent module is a
32  // module which is not derived from or based on this library. If you modify this
33  // library, you may extend this exception to your version of the library, but
34  // you are not obligated to do so. If you do not wish to do so, delete this
35  // exception statement from your version.
36  //
37  // ******************************************************************************
38  package ffx.ui;
39  
40  import ffx.potential.MolecularAssembly;
41  import java.awt.event.ActionEvent;
42  import java.awt.event.ActionListener;
43  import javax.swing.Timer;
44  
45  /**
46   * The Trajectory class controls playback of a TINKER trajectory.
47   *
48   * @author Michael J. Schnieders
49   */
50  public class Trajectory implements ActionListener {
51  
52    private MolecularAssembly molecularSystem;
53    private MainPanel mainPanel;
54    private Timer timer;
55    private int delay = 50;
56    private int desiredspeed = 20;
57    private int cycle = 1;
58    private int sign = 1;
59    private int skip = 1;
60    private boolean oscillate = false;
61  
62    /**
63     * Constructor for Trajectory.
64     *
65     * @param mol a {@link ffx.potential.MolecularAssembly} object.
66     * @param f a {@link ffx.ui.MainPanel} object.
67     */
68    public Trajectory(MolecularAssembly mol, MainPanel f) {
69      molecularSystem = mol;
70      mainPanel = f;
71      timer = new Timer(delay, this);
72      timer.setCoalesce(true);
73    }
74  
75    /** {@inheritDoc} */
76    public void actionPerformed(ActionEvent e) {
77      if (mainPanel.getGraphics3D().isCacheFull()) {
78        return;
79      }
80      cycle = advance(skip * sign);
81      setFrame(cycle);
82    }
83  
84    /**
85     * getFSystem
86     *
87     * @return a {@link ffx.potential.MolecularAssembly} object.
88     */
89    public MolecularAssembly getFSystem() {
90      return molecularSystem;
91    }
92  
93    /**
94     * getFrame
95     *
96     * @return a int.
97     */
98    public int getFrame() {
99      return molecularSystem.getCurrentCycle();
100   }
101 
102   /**
103    * setFrame
104    *
105    * @param f a int.
106    */
107   public void setFrame(int f) {
108     if (molecularSystem != null) {
109       molecularSystem.setCurrentCycle(f);
110       mainPanel.getGraphics3D().updateScene(molecularSystem, true, false, null, false, null);
111       mainPanel.getHierarchy().updateStatus();
112     }
113   }
114 
115   /**
116    * Getter for the field <code>oscillate</code>.
117    *
118    * @return a boolean.
119    */
120   public boolean getOscillate() {
121     return oscillate;
122   }
123 
124   /**
125    * Setter for the field <code>oscillate</code>.
126    *
127    * @param o a boolean.
128    */
129   void setOscillate(boolean o) {
130     oscillate = o;
131   }
132 
133   /**
134    * getRate
135    *
136    * @return a int.
137    */
138   public int getRate() {
139     return desiredspeed;
140   }
141 
142   /**
143    * setRate
144    *
145    * @param s a int.
146    */
147   public void setRate(int s) {
148     if (s > 0 && s <= 100) {
149       desiredspeed = s;
150       delay = 1000 / s;
151       timer.setDelay(delay);
152     }
153   }
154 
155   /** start */
156   public void start() {
157     timer.start();
158   }
159 
160   /** stop */
161   public void stop() {
162     timer.stop();
163   }
164 
165   private int advance(int adv) {
166     if (molecularSystem != null) {
167       cycle = molecularSystem.getCurrentCycle();
168       int frame = cycle + adv;
169       if ((frame) <= 0) {
170         sign = 1;
171         if (oscillate) {
172           frame = -adv - cycle;
173         } else {
174           frame = molecularSystem.getCycles() + (adv + cycle);
175         }
176       } else if ((frame) > molecularSystem.getCycles()) {
177         if (oscillate) {
178           frame = molecularSystem.getCycles() + (-adv + cycle);
179           sign = -1;
180         } else {
181           sign = 1;
182           frame = cycle - molecularSystem.getCycles() + adv;
183         }
184       }
185       return frame;
186     }
187     return 0;
188   }
189 
190   /** back */
191   void back() {
192     setFrame(getFrame() - 1);
193   }
194 
195   /** forward */
196   void forward() {
197     setFrame(getFrame() + 1);
198   }
199 
200   /**
201    * Getter for the field <code>skip</code>.
202    *
203    * @return a int.
204    */
205   int getSkip() {
206     return skip;
207   }
208 
209   /**
210    * Setter for the field <code>skip</code>.
211    *
212    * @param s a int.
213    */
214   void setSkip(int s) {
215     if (s < 1) {
216       return;
217     }
218     skip = s % molecularSystem.getAtomList().size();
219   }
220 
221   /** rewind */
222   void rewind() {
223     setFrame(1);
224   }
225 }