X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fanalysis%2FPCA.java;h=f34fe83aea9abb5c60d7568ab59e5a2ffdd22d6e;hb=70c81d16f9b2bbcfcfb1479954c1caebff8e08cc;hp=18ff3816253a59b4d85c28ffa3ff8e970ddec048;hpb=47168f025aefdaa044802bd5f8f510ffe43a4808;p=jalview.git diff --git a/src/jalview/analysis/PCA.java b/src/jalview/analysis/PCA.java index 18ff381..f34fe83 100755 --- a/src/jalview/analysis/PCA.java +++ b/src/jalview/analysis/PCA.java @@ -74,6 +74,7 @@ public class PCA implements Runnable { this(s, nucleotides, null); } + public PCA(String[] s, boolean nucleotides, String s_m) { @@ -90,15 +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"); @@ -264,41 +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) - { - eigenvector = mt.preMultiply(m); // standard seqspace comparison matrix - } - else + try { - 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"); }