2 * Jalview - A Sequence Alignment Editor and Viewer
3 * Copyright (C) 2006 AM Waterhouse, J Procter, G Barton, M Clamp, S Searle
5 * This program is free software; you can redistribute it and/or
6 * modify it under the terms of the GNU General Public License
7 * as published by the Free Software Foundation; either version 2
8 * of the License, or (at your option) any later version.
10 * This program is distributed in the hope that it will be useful,
11 * but WITHOUT ANY WARRANTY; without even the implied warranty of
12 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
13 * GNU General Public License for more details.
15 * You should have received a copy of the GNU General Public License
16 * along with this program; if not, write to the Free Software
17 * Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA
21 import jalview.util.*;
37 public double[][] value;
46 public double[] d; // Diagonal
49 public double[] e; // off diagonal
52 * Creates a new Matrix object.
54 * @param value DOCUMENT ME!
55 * @param rows DOCUMENT ME!
56 * @param cols DOCUMENT ME!
58 public Matrix(double[][] value, int rows, int cols)
68 * @return DOCUMENT ME!
70 public Matrix transpose()
72 double[][] out = new double[cols][rows];
74 for (int i = 0; i < cols; i++)
76 for (int j = 0; j < rows; j++)
78 out[i][j] = value[j][i];
82 return new Matrix(out, cols, rows);
88 * @param ps DOCUMENT ME!
90 public void print(PrintStream ps)
92 for (int i = 0; i < rows; i++)
94 for (int j = 0; j < cols; j++)
96 Format.print(ps, "%8.2f", value[i][j]);
106 * @param in DOCUMENT ME!
108 * @return DOCUMENT ME!
110 public Matrix preMultiply(Matrix in)
112 double[][] tmp = new double[in.rows][this.cols];
114 for (int i = 0; i < in.rows; i++)
116 for (int j = 0; j < this.cols; j++)
120 for (int k = 0; k < in.cols; k++)
122 tmp[i][j] += (in.value[i][k] * this.value[k][j]);
127 return new Matrix(tmp, in.rows, this.cols);
133 * @param in DOCUMENT ME!
135 * @return DOCUMENT ME!
137 public double[] vectorPostMultiply(double[] in)
139 double[] out = new double[in.length];
141 for (int i = 0; i < in.length; i++)
145 for (int k = 0; k < in.length; k++)
147 out[i] += (value[i][k] * in[k]);
157 * @param in DOCUMENT ME!
159 * @return DOCUMENT ME!
161 public Matrix postMultiply(Matrix in)
163 double[][] out = new double[this.rows][in.cols];
165 for (int i = 0; i < this.rows; i++)
167 for (int j = 0; j < in.cols; j++)
171 for (int k = 0; k < rows; k++)
173 out[i][j] = out[i][j] + (value[i][k] * in.value[k][j]);
178 return new Matrix(out, this.cols, in.rows);
184 * @return DOCUMENT ME!
188 double[][] newmat = new double[rows][cols];
190 for (int i = 0; i < rows; i++)
192 for (int j = 0; j < cols; j++)
194 newmat[i][j] = value[i][j];
198 return new Matrix(newmat, rows, cols);
218 this.d = new double[rows];
219 this.e = new double[rows];
221 for (i = n; i >= 2; i--)
229 for (k = 1; k <= l; k++)
231 scale += Math.abs(value[i - 1][k - 1]);
236 e[i - 1] = value[i - 1][l - 1];
240 for (k = 1; k <= l; k++)
242 value[i - 1][k - 1] /= scale;
243 h += (value[i - 1][k - 1] * value[i - 1][k - 1]);
246 f = value[i - 1][l - 1];
250 g = -1.0 * Math.sqrt(h);
257 e[i - 1] = scale * g;
259 value[i - 1][l - 1] = f - g;
262 for (j = 1; j <= l; j++)
264 value[j - 1][i - 1] = value[i - 1][j - 1] / h;
267 for (k = 1; k <= j; k++)
269 g += (value[j - 1][k - 1] * value[i - 1][k - 1]);
272 for (k = j + 1; k <= l; k++)
274 g += (value[k - 1][j - 1] * value[i - 1][k - 1]);
278 f += (e[j - 1] * value[i - 1][j - 1]);
283 for (j = 1; j <= l; j++)
285 f = value[i - 1][j - 1];
286 g = e[j - 1] - (hh * f);
289 for (k = 1; k <= j; k++)
291 value[j - 1][k - 1] -= ((f * e[k - 1]) +
292 (g * value[i - 1][k - 1]));
299 e[i - 1] = value[i - 1][l - 1];
308 for (i = 1; i <= n; i++)
314 for (j = 1; j <= l; j++)
318 for (k = 1; k <= l; k++)
320 g += (value[i - 1][k - 1] * value[k - 1][j - 1]);
323 for (k = 1; k <= l; k++)
325 value[k - 1][j - 1] -= (g * value[k - 1][i - 1]);
330 d[i - 1] = value[i - 1][i - 1];
331 value[i - 1][i - 1] = 1.0;
333 for (j = 1; j <= l; j++)
335 value[j - 1][i - 1] = 0.0;
336 value[i - 1][j - 1] = 0.0;
364 for (i = 2; i <= n; i++)
371 for (l = 1; l <= n; l++)
377 for (m = l; m <= (n - 1); m++)
379 dd = Math.abs(d[m - 1]) + Math.abs(d[m]);
381 if ((Math.abs(e[m - 1]) + dd) == dd)
393 System.err.print("Too many iterations in tqli");
394 System.exit(0); // JBPNote - should this really be here ???
398 // System.out.println("Iteration " + iter);
401 g = (d[l] - d[l - 1]) / (2.0 * e[l - 1]);
402 r = Math.sqrt((g * g) + 1.0);
403 g = d[m - 1] - d[l - 1] + (e[l - 1] / (g + sign(r, g)));
408 for (i = m - 1; i >= l; i--)
413 if (Math.abs(f) >= Math.abs(g))
416 r = Math.sqrt((c * c) + 1.0);
424 r = Math.sqrt((s * s) + 1.0);
431 r = ((d[i - 1] - g) * s) + (2.0 * c * b);
436 for (k = 1; k <= n; k++)
439 value[k - 1][i] = (s * value[k - 1][i - 1]) +
441 value[k - 1][i - 1] = (c * value[k - 1][i - 1]) -
446 d[l - 1] = d[l - 1] - p;
472 this.d = new double[rows];
473 this.e = new double[rows];
475 for (i = n - 1; i >= 1; i--)
483 for (k = 0; k < l; k++)
485 scale += Math.abs(value[i][k]);
494 for (k = 0; k < l; k++)
496 value[i][k] /= scale;
497 h += (value[i][k] * value[i][k]);
504 g = -1.0 * Math.sqrt(h);
516 for (j = 0; j < l; j++)
518 value[j][i] = value[i][j] / h;
521 for (k = 0; k < j; k++)
523 g += (value[j][k] * value[i][k]);
526 for (k = j; k < l; k++)
528 g += (value[k][j] * value[i][k]);
532 f += (e[j] * value[i][j]);
537 for (j = 0; j < l; j++)
543 for (k = 0; k < j; k++)
545 value[j][k] -= ((f * e[k]) + (g * value[i][k]));
561 for (i = 0; i < n; i++)
567 for (j = 0; j < l; j++)
571 for (k = 0; k < l; k++)
573 g += (value[i][k] * value[k][j]);
576 for (k = 0; k < l; k++)
578 value[k][j] -= (g * value[k][i]);
586 for (j = 0; j < l; j++)
617 for (i = 2; i <= n; i++)
624 for (l = 1; l <= n; l++)
630 for (m = l; m <= (n - 1); m++)
632 dd = Math.abs(d[m - 1]) + Math.abs(d[m]);
634 if ((Math.abs(e[m - 1]) + dd) == dd)
646 System.err.print("Too many iterations in tqli");
647 System.exit(0); // JBPNote - same as above - not a graceful exit!
651 // System.out.println("Iteration " + iter);
654 g = (d[l] - d[l - 1]) / (2.0 * e[l - 1]);
655 r = Math.sqrt((g * g) + 1.0);
656 g = d[m - 1] - d[l - 1] + (e[l - 1] / (g + sign(r, g)));
661 for (i = m - 1; i >= l; i--)
666 if (Math.abs(f) >= Math.abs(g))
669 r = Math.sqrt((c * c) + 1.0);
677 r = Math.sqrt((s * s) + 1.0);
684 r = ((d[i - 1] - g) * s) + (2.0 * c * b);
689 for (k = 1; k <= n; k++)
692 value[k - 1][i] = (s * value[k - 1][i - 1]) +
694 value[k - 1][i - 1] = (c * value[k - 1][i - 1]) -
699 d[l - 1] = d[l - 1] - p;
711 * @param a DOCUMENT ME!
712 * @param b DOCUMENT ME!
714 * @return DOCUMENT ME!
716 public double sign(double a, double b)
731 * @param n DOCUMENT ME!
733 * @return DOCUMENT ME!
735 public double[] getColumn(int n)
737 double[] out = new double[rows];
739 for (int i = 0; i < rows; i++)
741 out[i] = value[i][n];
750 * @param ps DOCUMENT ME!
752 public void printD(PrintStream ps)
754 for (int j = 0; j < rows; j++)
756 Format.print(ps, "%15.4e", d[j]);
763 * @param ps DOCUMENT ME!
765 public void printE(PrintStream ps)
767 for (int j = 0; j < rows; j++)
769 Format.print(ps, "%15.4e", e[j]);
776 * @param args DOCUMENT ME!
778 public static void main(String[] args)
780 int n = Integer.parseInt(args[0]);
781 double[][] in = new double[n][n];
783 for (int i = 0; i < n; i++)
785 for (int j = 0; j < n; j++)
787 in[i][j] = (double) Math.random();
791 Matrix origmat = new Matrix(in, n, n);
793 // System.out.println(" --- Original matrix ---- ");
794 /// origmat.print(System.out);
795 //System.out.println();
796 //System.out.println(" --- transpose matrix ---- ");
797 Matrix trans = origmat.transpose();
799 //trans.print(System.out);
800 //System.out.println();
801 //System.out.println(" --- OrigT * Orig ---- ");
802 Matrix symm = trans.postMultiply(origmat);
804 //symm.print(System.out);
805 //System.out.println();
806 // Copy the symmetric matrix for later
807 //Matrix origsymm = symm.copy();
809 // This produces the tridiagonal transformation matrix
810 //long tstart = System.currentTimeMillis();
813 //long tend = System.currentTimeMillis();
815 //System.out.println("Time take for tred = " + (tend-tstart) + "ms");
816 //System.out.println(" ---Tridiag transform matrix ---");
817 //symm.print(System.out);
818 //System.out.println();
819 //System.out.println(" --- D vector ---");
820 //symm.printD(System.out);
821 //System.out.println();
822 //System.out.println(" --- E vector ---");
823 //symm.printE(System.out);
824 //System.out.println();
825 // Now produce the diagonalization matrix
826 //tstart = System.currentTimeMillis();
828 //tend = System.currentTimeMillis();
830 //System.out.println("Time take for tqli = " + (tend-tstart) + " ms");
831 //System.out.println(" --- New diagonalization matrix ---");
832 //symm.print(System.out);
833 //System.out.println();
834 //System.out.println(" --- D vector ---");
835 //symm.printD(System.out);
836 //System.out.println();
837 //System.out.println(" --- E vector ---");
838 //symm.printE(System.out);
839 //System.out.println();
840 //System.out.println(" --- First eigenvector --- ");
841 //double[] eigenv = symm.getColumn(0);
842 //for (int i=0; i < eigenv.length;i++) {
843 // Format.print(System.out,"%15.4f",eigenv[i]);
845 //System.out.println();
846 //double[] neigenv = origsymm.vectorPostMultiply(eigenv);
847 //for (int i=0; i < neigenv.length;i++) {
848 // Format.print(System.out,"%15.4f",neigenv[i]/symm.d[0]);
850 //System.out.println();