X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fanalysis%2FPCA.java;h=fb74029c3a6d11dd5a024cbbed77b2ebf6aa0139;hb=c19d2a91ca05e052e3408bf5852d88eb5d0608f1;hp=979968f092b5cd57d3c61feedf9191ae53ba9e00;hpb=27b77d2219147d3741d4af7377e13918a8ae972a;p=jalview.git diff --git a/src/jalview/analysis/PCA.java b/src/jalview/analysis/PCA.java index 979968f..fb74029 100755 --- a/src/jalview/analysis/PCA.java +++ b/src/jalview/analysis/PCA.java @@ -1,31 +1,33 @@ /* - * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.0b1) - * Copyright (C) 2014 The Jalview Authors + * Jalview - A Sequence Alignment Editor and Viewer (Version 2.9.0b2) + * Copyright (C) 2015 The Jalview Authors * * This file is part of Jalview. * * Jalview 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 3 of the License, or (at your option) any later version. + * as published by the Free Software Foundation, either version 3 + * of the License, or (at your option) any later version. * * Jalview 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 Jalview. If not, see . + * You should have received a copy of the GNU General Public License + * along with Jalview. If not, see . * The Jalview Authors are detailed in the 'AUTHORS' file. */ package jalview.analysis; -import java.io.*; - -import jalview.datamodel.*; +import jalview.datamodel.BinarySequence; import jalview.datamodel.BinarySequence.InvalidSequenceTypeException; -import jalview.math.*; +import jalview.math.Matrix; import jalview.schemes.ResidueProperties; import jalview.schemes.ScoreMatrix; +import java.io.PrintStream; + /** * Performs Principal Component Analysis on given sequences * @@ -72,6 +74,7 @@ public class PCA implements Runnable { this(s, nucleotides, null); } + public PCA(String[] s, boolean nucleotides, String s_m) { @@ -88,15 +91,17 @@ public class PCA implements Runnable BinarySequence[] bs2 = new BinarySequence[s.length]; ii = 0; ScoreMatrix smtrx = null; - String sm=s_m; - if (sm!=null) + String sm = s_m; + if (sm != null) { smtrx = ResidueProperties.getScoreMatrix(sm); } - if (smtrx==null) + if (smtrx == null) { - // either we were given a non-existent score matrix or a scoremodel that isn't based on a pairwise symbol score matrix - smtrx = ResidueProperties.getScoreMatrix(sm=(nucleotides ? "DNA" : "BLOSUM62")); + // either we were given a non-existent score matrix or a scoremodel that + // isn't based on a pairwise symbol score matrix + smtrx = ResidueProperties.getScoreMatrix(sm = (nucleotides ? "DNA" + : "BLOSUM62")); } details.append("PCA calculation using " + sm + " sequence similarity matrix\n========\n\n"); @@ -262,41 +267,45 @@ public class PCA implements Runnable } }; - try { - details.append("PCA Calculation Mode is " - + (jvCalcMode ? "Jalview variant" : "Original SeqSpace") + "\n"); - Matrix mt = m.transpose(); - - details.append(" --- OrigT * Orig ---- \n"); - if (!jvCalcMode) + try { - eigenvector = mt.preMultiply(m); // standard seqspace comparison matrix - } - else - { - eigenvector = mt.preMultiply(m2); // jalview variation on seqsmace method - } + details.append("PCA Calculation Mode is " + + (jvCalcMode ? "Jalview variant" : "Original SeqSpace") + + "\n"); + Matrix mt = m.transpose(); - eigenvector.print(ps); + details.append(" --- OrigT * Orig ---- \n"); + if (!jvCalcMode) + { + eigenvector = mt.preMultiply(m); // standard seqspace comparison matrix + } + else + { + eigenvector = mt.preMultiply(m2); // jalview variation on seqsmace + // method + } - symm = eigenvector.copy(); + eigenvector.print(ps); - eigenvector.tred(); + symm = eigenvector.copy(); - details.append(" ---Tridiag transform matrix ---\n"); - details.append(" --- D vector ---\n"); - eigenvector.printD(ps); - ps.println(); - details.append("--- E vector ---\n"); - eigenvector.printE(ps); - ps.println(); + eigenvector.tred(); + + details.append(" ---Tridiag transform matrix ---\n"); + details.append(" --- D vector ---\n"); + eigenvector.printD(ps); + ps.println(); + details.append("--- E vector ---\n"); + eigenvector.printE(ps); + ps.println(); - // Now produce the diagonalization matrix - eigenvector.tqli(); + // Now produce the diagonalization matrix + eigenvector.tqli(); } catch (Exception q) { q.printStackTrace(); - details.append("\n*** Unexpected exception when performing PCA ***\n"+q.getLocalizedMessage()); + details.append("\n*** Unexpected exception when performing PCA ***\n" + + q.getLocalizedMessage()); details.append("*** Matrices below may not be fully diagonalised. ***\n"); }