*/
package jalview.analysis;
-import jalview.math.Matrix;
import jalview.math.MatrixI;
import jalview.schemes.ResidueProperties;
import jalview.schemes.ScoreMatrix;
{
this.seqs = s;
- // BinarySequence[] bs = new BinarySequence[s.length];
- // int ii = 0;
- //
- // while ((ii < s.length) && (s[ii] != null))
- // {
- // bs[ii] = new BinarySequence(s[ii], nucleotides);
- // bs[ii].encode();
- // ii++;
- // }
- //
- // BinarySequence[] bs2 = new BinarySequence[s.length];
scoreMatrix = null;
String sm = s_m;
if (sm != null)
}
details.append("PCA calculation using " + sm
+ " sequence similarity matrix\n========\n\n");
- // ii = 0;
- // while ((ii < s.length) && (s[ii] != null))
- // {
- // bs2[ii] = new BinarySequence(s[ii], nucleotides);
- // if (scoreMatrix != null)
- // {
- // try
- // {
- // bs2[ii].matrixEncode(scoreMatrix);
- // } catch (InvalidSequenceTypeException x)
- // {
- // details.append("Unexpected mismatch of sequence type and score matrix. Calculation will not be valid!\n\n");
- // }
- // }
- // ii++;
- // }
- //
- // int count = 0;
- // while ((count < bs.length) && (bs[count] != null))
- // {
- // count++;
- // }
- //
- // double[][] seqmat = new double[count][];
- // double[][] seqmat2 = new double[count][];
- //
- // int i = 0;
- // while (i < count)
- // {
- // seqmat[i] = bs[i].getDBinary();
- // seqmat2[i] = bs2[i].getDBinary();
- // i++;
- // }
- //
- // /*
- // * using a SparseMatrix to hold the encoded sequences matrix
- // * greatly speeds up matrix multiplication as these are mostly zero
- // */
- // m = new SparseMatrix(seqmat);
- // m2 = new Matrix(seqmat2);
-
}
/**
+ (jvCalcMode ? "Jalview variant" : "Original SeqSpace")
+ "\n");
- // MatrixI mt = m.transpose();
- // eigenvector = mt.preMultiply(jvCalcMode ? m2 : m);
- eigenvector = computePairwiseScores();
+ eigenvector = scoreMatrix.computePairwiseScores(seqs);
details.append(" --- OrigT * Orig ---- \n");
eigenvector.print(ps, "%8.2f");
// + (System.currentTimeMillis() - now) + "ms"));
}
- /**
- * 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>RSD</li>
- * <li>QIA</li>
- * <li>GWC</li>
- * <li>Score matrix is BLOSUM62</li>
- * <li>product [0, 0] = F.F + K.K + L.L = 6 + 5 + 4 = 15</li>
- * <li>product [2, 1] = R.R + S.S + D.D = 5 + 4 + 6 = 15</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.S + L.D = -3 + 0 + -3 = -7
- * <li>and so on</li>
- * </ul>
- */
- MatrixI computePairwiseScores()
- {
- 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);
- int score = scoreMatrix.getPairwiseScore(c1, c2);
- total += score;
- }
- values[row][col] = total;
- }
- }
- return new Matrix(values);
- }
-
public void setJvCalcMode(boolean calcMode)
{
this.jvCalcMode = calcMode;