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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.xray;
39  
40  import static java.lang.System.arraycopy;
41  import static java.util.Arrays.fill;
42  
43  import edu.rit.pj.IntegerSchedule;
44  import edu.rit.util.Range;
45  
46  /**
47   * RowSchedule class.
48   *
49   * @author Michael J. Schnieders
50   * @since 1.0
51   */
52  public class RowSchedule extends IntegerSchedule {
53  
54    private final int[] lowerBounds;
55    private final int fftZ;
56    private final int fftY;
57    private int nThreads;
58    private boolean[] threadDone;
59    private Range[] ranges;
60    private int[] weights;
61  
62    /**
63     * Constructor for RowSchedule.
64     *
65     * @param nThreads a int.
66     * @param fftZ a int.
67     * @param fftY a int.
68     */
69    protected RowSchedule(int nThreads, int fftZ, int fftY) {
70      this.nThreads = nThreads;
71      threadDone = new boolean[nThreads];
72      ranges = new Range[nThreads];
73      lowerBounds = new int[nThreads + 1];
74      this.fftY = fftY;
75      this.fftZ = fftZ;
76    }
77  
78    /** {@inheritDoc} */
79    @Override
80    public boolean isFixedSchedule() {
81      return true;
82    }
83  
84    /** {@inheritDoc} */
85    @Override
86    public Range next(int threadID) {
87      if (!threadDone[threadID]) {
88        threadDone[threadID] = true;
89        return ranges[threadID];
90      }
91      return null;
92    }
93  
94    /** {@inheritDoc} */
95    @Override
96    public void start(int nThreads, Range chunkRange) {
97      this.nThreads = nThreads;
98  
99      if (nThreads != threadDone.length) {
100       threadDone = new boolean[nThreads];
101     }
102     fill(threadDone, false);
103 
104     if (nThreads != ranges.length) {
105       ranges = new Range[nThreads];
106     }
107     fill(lowerBounds, 0);
108     defineRanges();
109   }
110 
111   /**
112    * updateWeights.
113    *
114    * @param weights an array of {@link int} objects.
115    */
116   void updateWeights(int[] weights) {
117     this.weights = weights;
118   }
119 
120   private int totalWeight() {
121     int totalWeight = 0;
122     for (int i = 0; i < fftZ * fftY; i++) {
123       totalWeight += weights[i];
124     }
125     return totalWeight;
126   }
127 
128   private void defineRanges() {
129     double totalWeight = totalWeight();
130 
131     // Infrequent edge case where the total weight is less than or equal to the number of threads.
132     if (totalWeight <= nThreads) {
133       Range temp = new Range(0, fftZ * fftY - 1);
134       ranges = temp.subranges(nThreads);
135       return;
136     }
137 
138     // Handle the case where we only have a single thread, which will receive all the rows.
139     if (nThreads == 1) {
140       ranges[0] = new Range(0, fftZ * fftY - 1);
141       return;
142     }
143 
144     double targetWeight = (totalWeight / nThreads);
145     int lastRow = fftZ * fftY - 1;
146 
147     int currentRow = 0;
148     lowerBounds[0] = 0;
149     int currentThread = 0;
150     while (currentThread < nThreads) {
151       int threadWeight = 0;
152       while (threadWeight < targetWeight && currentRow < lastRow) {
153         threadWeight += weights[currentRow];
154         currentRow++;
155       }
156       currentThread++;
157       if (currentRow < lastRow) {
158         lowerBounds[currentThread] = currentRow;
159       } else {
160         lowerBounds[currentThread] = lastRow;
161         break;
162       }
163     }
164 
165     int lastThread = currentThread;
166 
167     // Loop over all threads that will receive work except the final one.
168     for (currentThread = 0; currentThread < lastThread - 1; currentThread++) {
169       ranges[currentThread] =
170           new Range(lowerBounds[currentThread], lowerBounds[currentThread + 1] - 1);
171       // logger.info(String.format("Range for thread %d %s.", currentThread,
172       // ranges[currentThread]));
173 
174     }
175 
176     // Final range for the last thread that will receive work.
177     ranges[lastThread - 1] = new Range(lowerBounds[lastThread - 1], lastRow);
178     // logger.info(String.format("Range for thread %d %s.", lastThread - 1, ranges[lastThread -
179     // 1]));
180 
181     // Left-over threads with null ranges.
182     for (int it = lastThread; it < nThreads; it++) {
183       ranges[it] = null;
184     }
185   }
186 
187   /**
188    * getThreadWeights.
189    *
190    * @return an array of {@link int} objects.
191    */
192   int[] getThreadWeights() {
193     int[] weightsToReturn = new int[nThreads];
194     arraycopy(weights, 0, weightsToReturn, 0, nThreads);
195     return weightsToReturn;
196   }
197 
198   /**
199    * Getter for the field <code>lowerBounds</code>.
200    *
201    * @return an array of {@link int} objects.
202    */
203   int[] getLowerBounds() {
204     int[] boundsToReturn = new int[nThreads];
205     arraycopy(lowerBounds, 1, boundsToReturn, 0, nThreads);
206     return boundsToReturn;
207   }
208 }