JAL-2416 support roundtrip print/parse of ScoreMatrix

[jalview.git] / src / jalview / analysis / scoremodels / ScoreMatrix.java

diff --git a/src/jalview/analysis/scoremodels/ScoreMatrix.java b/src/jalview/analysis/scoremodels/ScoreMatrix.java
index eb94817..13ce6a8 100644 (file)
--- a/src/jalview/analysis/scoremodels/ScoreMatrix.java
+++ b/src/jalview/analysis/scoremodels/ScoreMatrix.java
@@ -20,6 +20,9 @@
  */
 package jalview.analysis.scoremodels;
 
+import jalview.math.Matrix;
+import jalview.math.MatrixI;
+
 import java.util.Arrays;
 
 public class ScoreMatrix implements PairwiseScoreModelI
@@ -228,7 +231,12 @@ public class ScoreMatrix implements PairwiseScoreModelI
   }
 
   /**
-   * Print the score matrix, optionally formatted as html, with the alphabet symbols as column headings and at the start of each row
+   * Print the score matrix, optionally formatted as html, with the alphabet
+   * symbols as column headings and at the start of each row.
+   * <p>
+   * The non-html format should give an output which can be parsed as a score
+   * matrix file
+   * 
    * @param html
    * @return
    */
@@ -244,6 +252,11 @@ public class ScoreMatrix implements PairwiseScoreModelI
       sb.append("<table border=\"1\">");
       sb.append(html ? "<tr><th></th>" : "");
     }
+    else
+    {
+      sb.append("ScoreMatrix ").append(getName()).append("\n");
+      sb.append(symbols).append("\n");
+    }
     for (char sym : symbols)
     {
       if (html)
@@ -292,4 +305,82 @@ public class ScoreMatrix implements PairwiseScoreModelI
   {
     return symbols.length;
   }
+
+  /**
+   * Computes an NxN matrix where N is the number of sequences, and entry [i, j]
+   * is sequence[i] pairwise multiplied with sequence[j], as a sum of scores
+   * computed using the current score matrix. For example
+   * <ul>
+   * <li>Sequences:</li>
+   * <li>FKL</li>
+   * <li>R-D</li>
+   * <li>QIA</li>
+   * <li>GWC</li>
+   * <li>Score matrix is BLOSUM62</li>
+   * <li>Gaps treated same as X (unknown)</li>
+   * <li>product [0, 0] = F.F + K.K + L.L = 6 + 5 + 4 = 15</li>
+   * <li>product [1, 1] = R.R + -.- + D.D = 5 + -1 + 6 = 10</li>
+   * <li>product [2, 2] = Q.Q + I.I + A.A = 5 + 4 + 4 = 13</li>
+   * <li>product [3, 3] = G.G + W.W + C.C = 6 + 11 + 9 = 26</li>
+   * <li>product[0, 1] = F.R + K.- + L.D = -3 + -1 + -3 = -8
+   * <li>and so on</li>
+   * </ul>
+   */
+  public MatrixI computePairwiseScores(String[] seqs)
+  {
+    double[][] values = new double[seqs.length][];
+    for (int row = 0; row < seqs.length; row++)
+    {
+      values[row] = new double[seqs.length];
+      for (int col = 0; col < seqs.length; col++)
+      {
+        int total = 0;
+        int width = Math.min(seqs[row].length(), seqs[col].length());
+        for (int i = 0; i < width; i++)
+        {
+          char c1 = seqs[row].charAt(i);
+          char c2 = seqs[col].charAt(i);
+          float score = getPairwiseScore(c1, c2);
+          total += score;
+        }
+        values[row][col] = total;
+      }
+    }
+    return new Matrix(values);
+  }
+
+  /**
+   * Answers a hashcode computed from the symbol alphabet and the matrix score
+   * values
+   */
+  @Override
+  public int hashCode()
+  {
+    int hs = Arrays.hashCode(symbols);
+    for (float[] row : matrix)
+    {
+      hs = hs * 31 + Arrays.hashCode(row);
+    }
+    return hs;
+  }
+
+  /**
+   * Answers true if the argument is a ScoreMatrix with the same symbol alphabet
+   * and score values, else false
+   */
+  @Override
+  public boolean equals(Object obj)
+  {
+    if (!(obj instanceof ScoreMatrix))
+    {
+      return false;
+    }
+    ScoreMatrix sm = (ScoreMatrix) obj;
+    if (Arrays.equals(symbols, sm.symbols)
+            && Arrays.deepEquals(matrix, sm.matrix))
+    {
+      return true;
+    }
+    return false;
+  }
 }