X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fmath%2FMatrix.java;h=2f79875369e3464cc8fb1a45c271e2805f0dc6ae;hb=cb7652a58feba83df46110a571785ce99be6da99;hp=3b93d6dcb9210b2c8d3f150105f330c61a3d624a;hpb=99c58ee0ae2a848f982552e53feaf6d5cb9925e5;p=jalview.git diff --git a/src/jalview/math/Matrix.java b/src/jalview/math/Matrix.java index 3b93d6d..2f79875 100755 --- a/src/jalview/math/Matrix.java +++ b/src/jalview/math/Matrix.java @@ -1,123 +1,207 @@ /* -* Jalview - A Sequence Alignment Editor and Viewer -* Copyright (C) 2005 AM Waterhouse, J Procter, G Barton, M Clamp, S Searle -* -* This program is free software; you can redistribute it and/or -* modify it under the terms of the GNU General Public License -* as published by the Free Software Foundation; either version 2 -* of the License, or (at your option) any later version. -* -* This program is distributed in the hope that it will be useful, -* but WITHOUT ANY WARRANTY; without even the implied warranty of -* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the -* GNU General Public License for more details. -* -* You should have received a copy of the GNU General Public License -* along with this program; if not, write to the Free Software -* Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA -*/ - + * Jalview - A Sequence Alignment Editor and Viewer + * Copyright (C) 2007 AM Waterhouse, J Procter, G Barton, M Clamp, S Searle + * + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * This program is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + * GNU General Public License for more details. + * + * You should have received a copy of the GNU General Public License + * along with this program; if not, write to the Free Software + * Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA + */ package jalview.math; -import jalview.util.*; - import java.io.*; -public class Matrix { +import jalview.util.*; +/** + * DOCUMENT ME! + * + * @author $author$ + * @version $Revision$ + */ +public class Matrix +{ /** * SMJSPUBLIC */ public double[][] value; + + /** DOCUMENT ME!! */ public int rows; + + /** DOCUMENT ME!! */ public int cols; - public double[] d; // Diagonal - public double[] e; // off diagonal - public Matrix(double[][] value, int rows, int cols) { + /** DOCUMENT ME!! */ + public double[] d; // Diagonal + + /** DOCUMENT ME!! */ + public double[] e; // off diagonal + + /** + * Creates a new Matrix object. + * + * @param value DOCUMENT ME! + * @param rows DOCUMENT ME! + * @param cols DOCUMENT ME! + */ + public Matrix(double[][] value, int rows, int cols) + { this.rows = rows; this.cols = cols; this.value = value; } - public Matrix transpose() { + /** + * DOCUMENT ME! + * + * @return DOCUMENT ME! + */ + public Matrix transpose() + { double[][] out = new double[cols][rows]; - for (int i = 0; i < cols; i++) { - for (int j = 0; j < rows ; j++) { + for (int i = 0; i < cols; i++) + { + for (int j = 0; j < rows; j++) + { out[i][j] = value[j][i]; } } - return new Matrix(out,cols,rows); - } - public void print(PrintStream ps) { + return new Matrix(out, cols, rows); + } - for (int i = 0; i < rows; i++) { - for (int j = 0; j < cols; j++) { - Format.print(ps,"%8.2f",value[i][j]); + /** + * DOCUMENT ME! + * + * @param ps DOCUMENT ME! + */ + public void print(PrintStream ps) + { + for (int i = 0; i < rows; i++) + { + for (int j = 0; j < cols; j++) + { + Format.print(ps, "%8.2f", value[i][j]); } + ps.println(); } } - - public Matrix preMultiply(Matrix in) { + /** + * DOCUMENT ME! + * + * @param in DOCUMENT ME! + * + * @return DOCUMENT ME! + */ + public Matrix preMultiply(Matrix in) + { double[][] tmp = new double[in.rows][this.cols]; - for (int i = 0; i < in.rows; i++) { - for (int j = 0; j < this.cols; j++ ) { + for (int i = 0; i < in.rows; i++) + { + for (int j = 0; j < this.cols; j++) + { tmp[i][j] = 0.0; - for (int k = 0; k < in.cols; k++) { - tmp[i][j] += in.value[i][k]*this.value[k][j]; + for (int k = 0; k < in.cols; k++) + { + tmp[i][j] += (in.value[i][k] * this.value[k][j]); } - } } - return new Matrix(tmp,in.rows,this.cols); + return new Matrix(tmp, in.rows, this.cols); } - public double[] vectorPostMultiply(double[] in) { + /** + * DOCUMENT ME! + * + * @param in DOCUMENT ME! + * + * @return DOCUMENT ME! + */ + public double[] vectorPostMultiply(double[] in) + { double[] out = new double[in.length]; - for (int i = 0; i < in.length; i++) { + + for (int i = 0; i < in.length; i++) + { out[i] = 0.0; - for (int k=0; k < in.length; k++) { - out[i] += value[i][k] * in[k]; + + for (int k = 0; k < in.length; k++) + { + out[i] += (value[i][k] * in[k]); } } + return out; } - public Matrix postMultiply(Matrix in) { + /** + * DOCUMENT ME! + * + * @param in DOCUMENT ME! + * + * @return DOCUMENT ME! + */ + public Matrix postMultiply(Matrix in) + { double[][] out = new double[this.rows][in.cols]; - for (int i = 0; i < this.rows; i++) { - for (int j = 0; j < in.cols; j++ ) { + for (int i = 0; i < this.rows; i++) + { + for (int j = 0; j < in.cols; j++) + { out[i][j] = 0.0; - for (int k = 0; k < rows; k++) { - out[i][j] = out[i][j] + value[i][k]*in.value[k][j]; + for (int k = 0; k < rows; k++) + { + out[i][j] = out[i][j] + (value[i][k] * in.value[k][j]); } - } } - return new Matrix(out,this.cols,in.rows); + + return new Matrix(out, this.cols, in.rows); } - public Matrix copy() { + /** + * DOCUMENT ME! + * + * @return DOCUMENT ME! + */ + public Matrix copy() + { double[][] newmat = new double[rows][cols]; - for (int i = 0; i < rows; i++) { - for (int j = 0; j < cols; j++) { + for (int i = 0; i < rows; i++) + { + for (int j = 0; j < cols; j++) + { newmat[i][j] = value[i][j]; } } - return new Matrix(newmat,rows,cols); + + return new Matrix(newmat, rows, cols); } - public void tred() { + /** + * DOCUMENT ME! + */ + public void tred() + { int n = rows; int l; int k; @@ -133,84 +217,131 @@ public class Matrix { this.d = new double[rows]; this.e = new double[rows]; - for (i=n; i >= 2;i--) { - l=i-1; + for (i = n; i >= 2; i--) + { + l = i - 1; h = 0.0; scale = 0.0; - if (l > 1) { - for (k=1;k<=l;k++) { - scale += Math.abs(value[i-1][k-1]); + if (l > 1) + { + for (k = 1; k <= l; k++) + { + scale += Math.abs(value[i - 1][k - 1]); + } + + if (scale == 0.0) + { + e[i - 1] = value[i - 1][l - 1]; } - if (scale == 0.0) { - e[i-1] = value[i-1][l-1]; - } else { - for (k=1; k <= l; k++) { - value[i-1][k-1] /= scale; - h += value[i-1][k-1]*value[i-1][k-1]; + else + { + for (k = 1; k <= l; k++) + { + value[i - 1][k - 1] /= scale; + h += (value[i - 1][k - 1] * value[i - 1][k - 1]); } - f = value[i-1][l-1]; - if (f>0) { - g = -1.0*Math.sqrt(h); - } else { + + f = value[i - 1][l - 1]; + + if (f > 0) + { + g = -1.0 * Math.sqrt(h); + } + else + { g = Math.sqrt(h); } - e[i-1] = scale*g; - h -= f*g; - value[i-1][l-1] = f-g; - f=0.0; - for (j=1; j <= l; j++) { - value[j-1][i-1] = value[i-1][j-1]/h; - g=0.0; - for (k= 1; k <= j; k++) { - g += value[j-1][k-1]*value[i-1][k-1]; + + e[i - 1] = scale * g; + h -= (f * g); + value[i - 1][l - 1] = f - g; + f = 0.0; + + for (j = 1; j <= l; j++) + { + value[j - 1][i - 1] = value[i - 1][j - 1] / h; + g = 0.0; + + for (k = 1; k <= j; k++) + { + g += (value[j - 1][k - 1] * value[i - 1][k - 1]); } - for (k=j+1; k<=l;k++) { - g+= value[k-1][j-1]*value[i-1][k-1]; + + for (k = j + 1; k <= l; k++) + { + g += (value[k - 1][j - 1] * value[i - 1][k - 1]); } - e[j-1] = g/h; - f+=e[j-1]*value[i-1][j-1]; + + e[j - 1] = g / h; + f += (e[j - 1] * value[i - 1][j - 1]); } - hh=f/(h+h); - for (j=1;j<=l;j++) { - f=value[i-1][j-1]; - g = e[j-1] - hh*f; - e[j-1] = g; - for (k=1;k<=j;k++) { - value[j-1][k-1] -= (f*e[k-1]+g*value[i-1][k-1]); + + hh = f / (h + h); + + for (j = 1; j <= l; j++) + { + f = value[i - 1][j - 1]; + g = e[j - 1] - (hh * f); + e[j - 1] = g; + + for (k = 1; k <= j; k++) + { + value[j - 1][k - 1] -= ( (f * e[k - 1]) + + (g * value[i - 1][k - 1])); } } } - } else { - e[i-1] = value[i-1][l-1]; } - d[i-1] = h; + else + { + e[i - 1] = value[i - 1][l - 1]; + } + + d[i - 1] = h; } + d[0] = 0.0; e[0] = 0.0; - for (i=1;i<=n;i++) { - l=i-1; - if (d[i-1] != 0.0) { - for (j=1;j<=l;j++) { - g=0.0; - for (k=1;k<=l;k++) { - g+= value[i-1][k-1]*value[k-1][j-1]; + + for (i = 1; i <= n; i++) + { + l = i - 1; + + if (d[i - 1] != 0.0) + { + for (j = 1; j <= l; j++) + { + g = 0.0; + + for (k = 1; k <= l; k++) + { + g += (value[i - 1][k - 1] * value[k - 1][j - 1]); } - for (k=1;k<=l;k++) { - value[k-1][j-1] -= g*value[k-1][i-1]; + + for (k = 1; k <= l; k++) + { + value[k - 1][j - 1] -= (g * value[k - 1][i - 1]); } } } - d[i-1] = value[i-1][i-1]; - value[i-1][i-1] = 1.0; - for (j=1;j<=l;j++) { - value[j-1][i-1] = 0.0; - value[i-1][j-1] = 0.0; + + d[i - 1] = value[i - 1][i - 1]; + value[i - 1][i - 1] = 1.0; + + for (j = 1; j <= l; j++) + { + value[j - 1][i - 1] = 0.0; + value[i - 1][j - 1] = 0.0; } } } - public void tqli() { + /** + * DOCUMENT ME! + */ + public void tqli() + { int n = rows; int m; @@ -222,73 +353,109 @@ public class Matrix { double r; double p; ; + double g; double f; double dd; double c; double b; - for (i=2;i<=n;i++) { - e[i-2] = e[i-1]; + for (i = 2; i <= n; i++) + { + e[i - 2] = e[i - 1]; } - e[n-1] = 0.0; - for (l=1;l<=n;l++) { - iter=0; - do { - for (m=l;m<=(n-1);m++) { - dd=Math.abs(d[m-1]) + Math.abs(d[m]); - if (Math.abs(e[m-1]) + dd == dd) + + e[n - 1] = 0.0; + + for (l = 1; l <= n; l++) + { + iter = 0; + + do + { + for (m = l; m <= (n - 1); m++) + { + dd = Math.abs(d[m - 1]) + Math.abs(d[m]); + + if ( (Math.abs(e[m - 1]) + dd) == dd) + { break; + } } - if (m != l) { + + if (m != l) + { iter++; - if (iter == 30) { + + if (iter == 30) + { System.err.print("Too many iterations in tqli"); System.exit(0); // JBPNote - should this really be here ??? - } else { + } + else + { // System.out.println("Iteration " + iter); } - g=(d[l]-d[l-1])/(2.0*e[l-1]); - r = Math.sqrt((g*g) + 1.0); - g=d[m-1]-d[l-1]+e[l-1]/(g + sign(r,g)); + + g = (d[l] - d[l - 1]) / (2.0 * e[l - 1]); + r = Math.sqrt( (g * g) + 1.0); + g = d[m - 1] - d[l - 1] + (e[l - 1] / (g + sign(r, g))); c = 1.0; s = c; - p=0.0; - for (i=m-1;i>=l;i--) { - f = s*e[i-1]; - b = c*e[i-1]; - if (Math.abs(f) >= Math.abs(g)) { - c=g/f; - r = Math.sqrt((c*c)+1.0); - e[i] = f*r; - s = 1.0/r; + p = 0.0; + + for (i = m - 1; i >= l; i--) + { + f = s * e[i - 1]; + b = c * e[i - 1]; + + if (Math.abs(f) >= Math.abs(g)) + { + c = g / f; + r = Math.sqrt( (c * c) + 1.0); + e[i] = f * r; + s = 1.0 / r; c *= s; - } else { - s=f/g; - r = Math.sqrt((s*s)+1.0); - e[i] = g*r; - c = 1.0/r; + } + else + { + s = f / g; + r = Math.sqrt( (s * s) + 1.0); + e[i] = g * r; + c = 1.0 / r; s *= c; } - g=d[i] -p; - r=(d[i-1]-g)*s + 2.0*c*b; - p=s*r; + + g = d[i] - p; + r = ( (d[i - 1] - g) * s) + (2.0 * c * b); + p = s * r; d[i] = g + p; - g = c * r - b; - for (k=1; k <= n; k++) { - f=value[k-1][i]; - value[k-1][i] = s*value[k-1][i-1] + c*f; - value[k-1][i-1] = c*value[k-1][i-1] - s*f; + g = (c * r) - b; + + for (k = 1; k <= n; k++) + { + f = value[k - 1][i]; + value[k - 1][i] = (s * value[k - 1][i - 1]) + + (c * f); + value[k - 1][i - 1] = (c * value[k - 1][i - 1]) - + (s * f); } } - d[l-1] = d[l-1] - p; - e[l-1] = g; - e[m-1] = 0.0; + + d[l - 1] = d[l - 1] - p; + e[l - 1] = g; + e[m - 1] = 0.0; } - } while ( m != l); + } + while (m != l); } } - public void tred2() { + + /** + * DOCUMENT ME! + */ + public void tred2() + { int n = rows; int l; int k; @@ -304,84 +471,130 @@ public class Matrix { this.d = new double[rows]; this.e = new double[rows]; - for (i=n-1; i >= 1;i--) { - l=i-1; + for (i = n - 1; i >= 1; i--) + { + l = i - 1; h = 0.0; scale = 0.0; - if (l > 0) { - for (k=0;k 0) + { + for (k = 0; k < l; k++) + { scale += Math.abs(value[i][k]); } - if (scale == 0.0) { + + if (scale == 0.0) + { e[i] = value[i][l]; - } else { - for (k=0; k < l; k++) { + } + else + { + for (k = 0; k < l; k++) + { value[i][k] /= scale; - h += value[i][k]*value[i][k]; + h += (value[i][k] * value[i][k]); } + f = value[i][l]; - if (f>0) { - g = -1.0*Math.sqrt(h); - } else { + + if (f > 0) + { + g = -1.0 * Math.sqrt(h); + } + else + { g = Math.sqrt(h); } - e[i] = scale*g; - h -= f*g; - value[i][l] = f-g; - f=0.0; - for (j=0; j < l; j++) { - value[j][i] = value[i][j]/h; - g=0.0; - for (k= 0; k < j; k++) { - g += value[j][k]*value[i][k]; + + e[i] = scale * g; + h -= (f * g); + value[i][l] = f - g; + f = 0.0; + + for (j = 0; j < l; j++) + { + value[j][i] = value[i][j] / h; + g = 0.0; + + for (k = 0; k < j; k++) + { + g += (value[j][k] * value[i][k]); } - for (k=j; k=l;i--) { - f = s*e[i-1]; - b = c*e[i-1]; - if (Math.abs(f) >= Math.abs(g)) { - c=g/f; - r = Math.sqrt((c*c)+1.0); - e[i] = f*r; - s = 1.0/r; + p = 0.0; + + for (i = m - 1; i >= l; i--) + { + f = s * e[i - 1]; + b = c * e[i - 1]; + + if (Math.abs(f) >= Math.abs(g)) + { + c = g / f; + r = Math.sqrt( (c * c) + 1.0); + e[i] = f * r; + s = 1.0 / r; c *= s; - } else { - s=f/g; - r = Math.sqrt((s*s)+1.0); - e[i] = g*r; - c = 1.0/r; + } + else + { + s = f / g; + r = Math.sqrt( (s * s) + 1.0); + e[i] = g * r; + c = 1.0 / r; s *= c; } - g=d[i] -p; - r=(d[i-1]-g)*s + 2.0*c*b; - p=s*r; + + g = d[i] - p; + r = ( (d[i - 1] - g) * s) + (2.0 * c * b); + p = s * r; d[i] = g + p; - g = c * r - b; - for (k=1; k <= n; k++) { - f=value[k-1][i]; - value[k-1][i] = s*value[k-1][i-1] + c*f; - value[k-1][i-1] = c*value[k-1][i-1] - s*f; + g = (c * r) - b; + + for (k = 1; k <= n; k++) + { + f = value[k - 1][i]; + value[k - 1][i] = (s * value[k - 1][i - 1]) + + (c * f); + value[k - 1][i - 1] = (c * value[k - 1][i - 1]) - + (s * f); } } - d[l-1] = d[l-1] - p; - e[l-1] = g; - e[m-1] = 0.0; + + d[l - 1] = d[l - 1] - p; + e[l - 1] = g; + e[m - 1] = 0.0; } - } while ( m != l); + } + while (m != l); } } - public double sign(double a, double b) { - if (b < 0) { + /** + * DOCUMENT ME! + * + * @param a DOCUMENT ME! + * @param b DOCUMENT ME! + * + * @return DOCUMENT ME! + */ + public double sign(double a, double b) + { + if (b < 0) + { return -Math.abs(a); - } else { + } + else + { return Math.abs(a); } } - public double[] getColumn(int n) { - double[] out = new double[rows]; - for (int i=0;i