2 * Jalview - A Sequence Alignment Editor and Viewer (Version 2.4)
3 * Copyright (C) 2008 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
23 import jalview.util.*;
36 public double[][] value;
45 public double[] d; // Diagonal
48 public double[] e; // off diagonal
51 * Creates a new Matrix object.
53 * @param value DOCUMENT ME!
54 * @param rows DOCUMENT ME!
55 * @param cols DOCUMENT ME!
57 public Matrix(double[][] value, int rows, int cols)
67 * @return DOCUMENT ME!
69 public Matrix transpose()
71 double[][] out = new double[cols][rows];
73 for (int i = 0; i < cols; i++)
75 for (int j = 0; j < rows; j++)
77 out[i][j] = value[j][i];
81 return new Matrix(out, cols, rows);
87 * @param ps DOCUMENT ME!
89 public void print(PrintStream ps)
91 for (int i = 0; i < rows; i++)
93 for (int j = 0; j < cols; j++)
95 Format.print(ps, "%8.2f", value[i][j]);
105 * @param in DOCUMENT ME!
107 * @return DOCUMENT ME!
109 public Matrix preMultiply(Matrix in)
111 double[][] tmp = new double[in.rows][this.cols];
113 for (int i = 0; i < in.rows; i++)
115 for (int j = 0; j < this.cols; j++)
119 for (int k = 0; k < in.cols; k++)
121 tmp[i][j] += (in.value[i][k] * this.value[k][j]);
126 return new Matrix(tmp, in.rows, this.cols);
132 * @param in DOCUMENT ME!
134 * @return DOCUMENT ME!
136 public double[] vectorPostMultiply(double[] in)
138 double[] out = new double[in.length];
140 for (int i = 0; i < in.length; i++)
144 for (int k = 0; k < in.length; k++)
146 out[i] += (value[i][k] * in[k]);
156 * @param in DOCUMENT ME!
158 * @return DOCUMENT ME!
160 public Matrix postMultiply(Matrix in)
162 double[][] out = new double[this.rows][in.cols];
164 for (int i = 0; i < this.rows; i++)
166 for (int j = 0; j < in.cols; j++)
170 for (int k = 0; k < rows; k++)
172 out[i][j] = out[i][j] + (value[i][k] * in.value[k][j]);
177 return new Matrix(out, this.cols, in.rows);
183 * @return DOCUMENT ME!
187 double[][] newmat = new double[rows][cols];
189 for (int i = 0; i < rows; i++)
191 for (int j = 0; j < cols; j++)
193 newmat[i][j] = value[i][j];
197 return new Matrix(newmat, rows, cols);
217 this.d = new double[rows];
218 this.e = new double[rows];
220 for (i = n; i >= 2; i--)
228 for (k = 1; k <= l; k++)
230 scale += Math.abs(value[i - 1][k - 1]);
235 e[i - 1] = value[i - 1][l - 1];
239 for (k = 1; k <= l; k++)
241 value[i - 1][k - 1] /= scale;
242 h += (value[i - 1][k - 1] * value[i - 1][k - 1]);
245 f = value[i - 1][l - 1];
249 g = -1.0 * Math.sqrt(h);
256 e[i - 1] = scale * g;
258 value[i - 1][l - 1] = f - g;
261 for (j = 1; j <= l; j++)
263 value[j - 1][i - 1] = value[i - 1][j - 1] / h;
266 for (k = 1; k <= j; k++)
268 g += (value[j - 1][k - 1] * value[i - 1][k - 1]);
271 for (k = j + 1; k <= l; k++)
273 g += (value[k - 1][j - 1] * value[i - 1][k - 1]);
277 f += (e[j - 1] * value[i - 1][j - 1]);
282 for (j = 1; j <= l; j++)
284 f = value[i - 1][j - 1];
285 g = e[j - 1] - (hh * f);
288 for (k = 1; k <= j; k++)
290 value[j - 1][k - 1] -= ( (f * e[k - 1]) +
291 (g * value[i - 1][k - 1]));
298 e[i - 1] = value[i - 1][l - 1];
307 for (i = 1; i <= n; i++)
313 for (j = 1; j <= l; j++)
317 for (k = 1; k <= l; k++)
319 g += (value[i - 1][k - 1] * value[k - 1][j - 1]);
322 for (k = 1; k <= l; k++)
324 value[k - 1][j - 1] -= (g * value[k - 1][i - 1]);
329 d[i - 1] = value[i - 1][i - 1];
330 value[i - 1][i - 1] = 1.0;
332 for (j = 1; j <= l; j++)
334 value[j - 1][i - 1] = 0.0;
335 value[i - 1][j - 1] = 0.0;
363 for (i = 2; i <= n; i++)
370 for (l = 1; l <= n; l++)
376 for (m = l; m <= (n - 1); m++)
378 dd = Math.abs(d[m - 1]) + Math.abs(d[m]);
380 if ( (Math.abs(e[m - 1]) + dd) == dd)
392 System.err.print("Too many iterations in tqli");
393 System.exit(0); // JBPNote - should this really be here ???
397 // System.out.println("Iteration " + iter);
400 g = (d[l] - d[l - 1]) / (2.0 * e[l - 1]);
401 r = Math.sqrt( (g * g) + 1.0);
402 g = d[m - 1] - d[l - 1] + (e[l - 1] / (g + sign(r, g)));
407 for (i = m - 1; i >= l; i--)
412 if (Math.abs(f) >= Math.abs(g))
415 r = Math.sqrt( (c * c) + 1.0);
423 r = Math.sqrt( (s * s) + 1.0);
430 r = ( (d[i - 1] - g) * s) + (2.0 * c * b);
435 for (k = 1; k <= n; k++)
438 value[k - 1][i] = (s * value[k - 1][i - 1]) +
440 value[k - 1][i - 1] = (c * value[k - 1][i - 1]) -
445 d[l - 1] = d[l - 1] - p;
471 this.d = new double[rows];
472 this.e = new double[rows];
474 for (i = n - 1; i >= 1; i--)
482 for (k = 0; k < l; k++)
484 scale += Math.abs(value[i][k]);
493 for (k = 0; k < l; k++)
495 value[i][k] /= scale;
496 h += (value[i][k] * value[i][k]);
503 g = -1.0 * Math.sqrt(h);
515 for (j = 0; j < l; j++)
517 value[j][i] = value[i][j] / h;
520 for (k = 0; k < j; k++)
522 g += (value[j][k] * value[i][k]);
525 for (k = j; k < l; k++)
527 g += (value[k][j] * value[i][k]);
531 f += (e[j] * value[i][j]);
536 for (j = 0; j < l; j++)
542 for (k = 0; k < j; k++)
544 value[j][k] -= ( (f * e[k]) + (g * value[i][k]));
560 for (i = 0; i < n; i++)
566 for (j = 0; j < l; j++)
570 for (k = 0; k < l; k++)
572 g += (value[i][k] * value[k][j]);
575 for (k = 0; k < l; k++)
577 value[k][j] -= (g * value[k][i]);
585 for (j = 0; j < l; j++)
616 for (i = 2; i <= n; i++)
623 for (l = 1; l <= n; l++)
629 for (m = l; m <= (n - 1); m++)
631 dd = Math.abs(d[m - 1]) + Math.abs(d[m]);
633 if ( (Math.abs(e[m - 1]) + dd) == dd)
645 System.err.print("Too many iterations in tqli");
646 System.exit(0); // JBPNote - same as above - not a graceful exit!
650 // System.out.println("Iteration " + iter);
653 g = (d[l] - d[l - 1]) / (2.0 * e[l - 1]);
654 r = Math.sqrt( (g * g) + 1.0);
655 g = d[m - 1] - d[l - 1] + (e[l - 1] / (g + sign(r, g)));
660 for (i = m - 1; i >= l; i--)
665 if (Math.abs(f) >= Math.abs(g))
668 r = Math.sqrt( (c * c) + 1.0);
676 r = Math.sqrt( (s * s) + 1.0);
683 r = ( (d[i - 1] - g) * s) + (2.0 * c * b);
688 for (k = 1; k <= n; k++)
691 value[k - 1][i] = (s * value[k - 1][i - 1]) +
693 value[k - 1][i - 1] = (c * value[k - 1][i - 1]) -
698 d[l - 1] = d[l - 1] - p;
710 * @param a DOCUMENT ME!
711 * @param b DOCUMENT ME!
713 * @return DOCUMENT ME!
715 public double sign(double a, double b)
730 * @param n DOCUMENT ME!
732 * @return DOCUMENT ME!
734 public double[] getColumn(int n)
736 double[] out = new double[rows];
738 for (int i = 0; i < rows; i++)
740 out[i] = value[i][n];
749 * @param ps DOCUMENT ME!
751 public void printD(PrintStream ps)
753 for (int j = 0; j < rows; j++)
755 Format.print(ps, "%15.4e", d[j]);
762 * @param ps DOCUMENT ME!
764 public void printE(PrintStream ps)
766 for (int j = 0; j < rows; j++)
768 Format.print(ps, "%15.4e", e[j]);
775 * @param args DOCUMENT ME!
777 public static void main(String[] args)
779 int n = Integer.parseInt(args[0]);
780 double[][] in = new double[n][n];
782 for (int i = 0; i < n; i++)
784 for (int j = 0; j < n; j++)
786 in[i][j] = (double) Math.random();
790 Matrix origmat = new Matrix(in, n, n);
792 // System.out.println(" --- Original matrix ---- ");
793 /// origmat.print(System.out);
794 //System.out.println();
795 //System.out.println(" --- transpose matrix ---- ");
796 Matrix trans = origmat.transpose();
798 //trans.print(System.out);
799 //System.out.println();
800 //System.out.println(" --- OrigT * Orig ---- ");
801 Matrix symm = trans.postMultiply(origmat);
803 //symm.print(System.out);
804 //System.out.println();
805 // Copy the symmetric matrix for later
806 //Matrix origsymm = symm.copy();
808 // This produces the tridiagonal transformation matrix
809 //long tstart = System.currentTimeMillis();
812 //long tend = System.currentTimeMillis();
814 //System.out.println("Time take for tred = " + (tend-tstart) + "ms");
815 //System.out.println(" ---Tridiag transform matrix ---");
816 //symm.print(System.out);
817 //System.out.println();
818 //System.out.println(" --- D vector ---");
819 //symm.printD(System.out);
820 //System.out.println();
821 //System.out.println(" --- E vector ---");
822 //symm.printE(System.out);
823 //System.out.println();
824 // Now produce the diagonalization matrix
825 //tstart = System.currentTimeMillis();
827 //tend = System.currentTimeMillis();
829 //System.out.println("Time take for tqli = " + (tend-tstart) + " ms");
830 //System.out.println(" --- New diagonalization matrix ---");
831 //symm.print(System.out);
832 //System.out.println();
833 //System.out.println(" --- D vector ---");
834 //symm.printD(System.out);
835 //System.out.println();
836 //System.out.println(" --- E vector ---");
837 //symm.printE(System.out);
838 //System.out.println();
839 //System.out.println(" --- First eigenvector --- ");
840 //double[] eigenv = symm.getColumn(0);
841 //for (int i=0; i < eigenv.length;i++) {
842 // Format.print(System.out,"%15.4f",eigenv[i]);
844 //System.out.println();
845 //double[] neigenv = origsymm.vectorPostMultiply(eigenv);
846 //for (int i=0; i < neigenv.length;i++) {
847 // Format.print(System.out,"%15.4f",neigenv[i]/symm.d[0]);
849 //System.out.println();