X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fanalysis%2FPCA.java;h=18ff3816253a59b4d85c28ffa3ff8e970ddec048;hb=47168f025aefdaa044802bd5f8f510ffe43a4808;hp=109a5918bc30fe787376e12772f357df1ff2e20d;hpb=59d682209891099d46b960509907c79e3fb276fe;p=jalview.git
diff --git a/src/jalview/analysis/PCA.java b/src/jalview/analysis/PCA.java
index 109a591..18ff381 100755
--- a/src/jalview/analysis/PCA.java
+++ b/src/jalview/analysis/PCA.java
@@ -1,19 +1,22 @@
/*
- * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8)
- * Copyright (C) 2012 J Procter, AM Waterhouse, LM Lui, J Engelhardt, G Barton, M Clamp, S Searle
+ * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.2)
+ * Copyright (C) 2014 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;
@@ -69,6 +72,10 @@ public class PCA implements Runnable
*/
public PCA(String[] s, boolean nucleotides)
{
+ this(s, nucleotides, null);
+ }
+ public PCA(String[] s, boolean nucleotides, String s_m)
+ {
BinarySequence[] bs = new BinarySequence[s.length];
int ii = 0;
@@ -82,9 +89,17 @@ public class PCA implements Runnable
BinarySequence[] bs2 = new BinarySequence[s.length];
ii = 0;
-
- String sm = nucleotides ? "DNA" : "BLOSUM62";
- ScoreMatrix smtrx = ResidueProperties.getScoreMatrix(sm);
+ ScoreMatrix smtrx = null;
+ String sm=s_m;
+ if (sm!=null)
+ {
+ smtrx = ResidueProperties.getScoreMatrix(sm);
+ }
+ 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"));
+ }
details.append("PCA calculation using " + sm
+ " sequence similarity matrix\n========\n\n");
while ((ii < s.length) && (s[ii] != null))
@@ -236,6 +251,20 @@ public class PCA implements Runnable
*/
public void run()
{
+ PrintStream ps = new PrintStream(System.out)
+ {
+ public void print(String x)
+ {
+ details.append(x);
+ }
+
+ public void println()
+ {
+ details.append("\n");
+ }
+ };
+
+ try {
details.append("PCA Calculation Mode is "
+ (jvCalcMode ? "Jalview variant" : "Original SeqSpace") + "\n");
Matrix mt = m.transpose();
@@ -250,19 +279,6 @@ public class PCA implements Runnable
eigenvector = mt.preMultiply(m2); // jalview variation on seqsmace method
}
- PrintStream ps = new PrintStream(System.out)
- {
- public void print(String x)
- {
- details.append(x);
- }
-
- public void println()
- {
- details.append("\n");
- }
- };
-
eigenvector.print(ps);
symm = eigenvector.copy();
@@ -279,6 +295,12 @@ public class PCA implements Runnable
// 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("*** Matrices below may not be fully diagonalised. ***\n");
+ }
details.append(" --- New diagonalization matrix ---\n");
eigenvector.print(ps);