X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fanalysis%2FAAFrequency.java;h=d028ade26d7681f801107a7c77485e287d5f3c0e;hb=b2f9a8d7bce642ff4011bc6d49e02bb0569fbb11;hp=ad1fe4e9b7911137ac7fd5e086d47b135b0c9a7b;hpb=f24dacb1da56fccf05d684e2f4899facec2aecf7;p=jalview.git
diff --git a/src/jalview/analysis/AAFrequency.java b/src/jalview/analysis/AAFrequency.java
index ad1fe4e..d028ade 100755
--- a/src/jalview/analysis/AAFrequency.java
+++ b/src/jalview/analysis/AAFrequency.java
@@ -1,139 +1,371 @@
-/*
-* 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
-*/
-package jalview.analysis;
-
-import jalview.datamodel.*;
-
-import java.util.*;
-
-
-/**
- * Takes in a vector of sequences and column start and column end
- * and returns a vector of size (end-start+1). Each element of the
- * vector contains a hashtable with the keys being residues and
- * the values being the count of each residue in that column.
- * This class is used extensively in calculating alignment colourschemes
- * that depend on the amount of conservation in each alignment column.
- * @author $author$
- * @version $Revision$
- */
-public class AAFrequency
-{
- /** Takes in a vector of sequences and column start and column end
- * and returns a vector of size (end-start+1). Each element of the
- * vector contains a hashtable with the keys being residues and
- * the values being the count of each residue in that column.
- * This class is used extensively in calculating alignment colourschemes
- * that depend on the amount of conservation in each alignment column. */
- public static final Vector calculate(Vector sequences, int start, int end)
- {
- Vector result = new Vector();
- Hashtable residueHash;
- int count, maxCount, nongap, i, j, jSize = sequences.size();
- String maxResidue, sequence, res;
- float percentage;
-
- for (i = start; i <= end; i++)
- {
- residueHash = new Hashtable();
- maxCount = 0;
- maxResidue = "-";
- nongap = 0;
-
- for (j = 0; j < jSize; j++)
- {
- if (sequences.elementAt(j) instanceof Sequence)
- {
- sequence = ((Sequence) sequences.elementAt(j)).getSequence();
-
- if (sequence.length() > i)
- {
- res = String.valueOf(Character.toUpperCase(sequence.charAt(i)));
-
- if (jalview.util.Comparison.isGap(res.charAt(0)))
- {
- res = "-"; // we always use this for gaps in the property vectors
- }
- else
- { nongap++; }
-
- if (residueHash.containsKey(res))
- {
- count = ((Integer) residueHash.get(res)).intValue();
- count++;
-
- if (!jalview.util.Comparison.isGap(res.charAt(0)) &&
- (count >= maxCount))
- {
- if (count > maxCount)
- {
- maxResidue = res;
- }
- else if (maxResidue.indexOf(res) == -1)
- {
- maxResidue += res;
- }
-
- maxCount = count;
- }
-
- residueHash.put(res, new Integer(count));
- }
- else
- {
- residueHash.put(res, new Integer(1));
- }
- }
- else
- {
- if (residueHash.containsKey("-"))
- {
- count = ((Integer) residueHash.get("-")).intValue();
- count++;
- residueHash.put("-", new Integer(count));
- }
- else
- {
- residueHash.put("-", new Integer(1));
- }
- }
- }
- }
-
- residueHash.put("maxCount", new Integer(maxCount));
- residueHash.put("maxResidue", maxResidue);
-
-
- //Size is redundant at present if we calculate percentage here
- //residueHash.put("size", new Integer(jSize));
- //residueHash.put("nogaps", new Integer(nongap));
-
- percentage = ((float)maxCount*100) / (float)jSize;
- residueHash.put("pid_gaps", new Float(percentage) );
-
- percentage = ((float)maxCount*100) / (float)nongap;
- residueHash.put("pid_nogaps", new Float(percentage) );
- result.addElement(residueHash);
- }
-
-
-
- return result;
- }
-}
+/*
+ * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.1)
+ * 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.
+ *
+ * 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 .
+ * The Jalview Authors are detailed in the 'AUTHORS' file.
+ */
+package jalview.analysis;
+
+import java.util.*;
+
+import jalview.util.Format;
+import jalview.datamodel.*;
+
+/**
+ * Takes in a vector or array of sequences and column start and column end and
+ * returns a new Hashtable[] of size maxSeqLength, if Hashtable not supplied.
+ * This class is used extensively in calculating alignment colourschemes that
+ * depend on the amount of conservation in each alignment column.
+ *
+ * @author $author$
+ * @version $Revision$
+ */
+public class AAFrequency
+{
+ // No need to store 1000s of strings which are not
+ // visible to the user.
+ public static final String MAXCOUNT = "C";
+
+ public static final String MAXRESIDUE = "R";
+
+ public static final String PID_GAPS = "G";
+
+ public static final String PID_NOGAPS = "N";
+
+ public static final String PROFILE = "P";
+
+ public static final Hashtable[] calculate(List list,
+ int start, int end)
+ {
+ return calculate(list, start, end, false);
+ }
+
+ public static final Hashtable[] calculate(List sequences,
+ int start, int end, boolean profile)
+ {
+ SequenceI[] seqs = new SequenceI[sequences.size()];
+ int width = 0;
+ synchronized (sequences)
+ {
+ for (int i = 0; i < sequences.size(); i++)
+ {
+ seqs[i] = sequences.get(i);
+ if (seqs[i].getLength() > width)
+ {
+ width = seqs[i].getLength();
+ }
+ }
+
+ Hashtable[] reply = new Hashtable[width];
+
+ if (end >= width)
+ {
+ end = width;
+ }
+
+ calculate(seqs, start, end, reply, profile);
+ return reply;
+ }
+ }
+
+ public static final void calculate(SequenceI[] sequences, int start,
+ int end, Hashtable[] result)
+ {
+ calculate(sequences, start, end, result, false);
+ }
+
+ public static final void calculate(SequenceI[] sequences, int start,
+ int end, Hashtable[] result, boolean profile)
+ {
+ Hashtable residueHash;
+ int maxCount, nongap, i, j, v, jSize = sequences.length;
+ String maxResidue;
+ char c='-';
+ float percentage;
+
+ int[] values = new int[255];
+
+ char[] seq;
+
+ for (i = start; i < end; i++)
+ {
+ residueHash = new Hashtable();
+ maxCount = 0;
+ maxResidue = "";
+ nongap = 0;
+ values = new int[255];
+
+ for (j = 0; j < jSize; j++)
+ {
+ if (sequences[j] == null)
+ {
+ System.err
+ .println("WARNING: Consensus skipping null sequence - possible race condition.");
+ continue;
+ }
+ seq = sequences[j].getSequence();
+ if (seq.length > i)
+ {
+ c = seq[i];
+
+ if (c == '.' || c == ' ')
+ {
+ c = '-';
+ }
+
+ if (c == '-')
+ {
+ values['-']++;
+ continue;
+ }
+ else if ('a' <= c && c <= 'z')
+ {
+ c -= 32; // ('a' - 'A');
+ }
+
+ nongap++;
+ values[c]++;
+
+ }
+ else
+ {
+ values['-']++;
+ }
+ }
+ if (jSize==1)
+ {
+ maxResidue = String.valueOf(c);
+ maxCount=1;
+ } else {for (v = 'A'; v < 'Z'; v++)
+ {
+ if (values[v] < 2 || values[v] < maxCount)
+ {
+ continue;
+ }
+
+ if (values[v] > maxCount)
+ {
+ maxResidue = String.valueOf((char) v);
+ }
+ else if (values[v] == maxCount)
+ {
+ maxResidue += String.valueOf((char) v);
+ }
+ maxCount = values[v];
+ }
+ }
+ if (maxResidue.length() == 0)
+ {
+ maxResidue = "-";
+ }
+ if (profile)
+ {
+ residueHash.put(PROFILE, new int[][]
+ { values, new int[]
+ { jSize, nongap } });
+ }
+ residueHash.put(MAXCOUNT, new Integer(maxCount));
+ residueHash.put(MAXRESIDUE, maxResidue);
+
+ percentage = ((float) maxCount * 100) / jSize;
+ residueHash.put(PID_GAPS, new Float(percentage));
+
+ if (nongap>0) {
+ // calculate for non-gapped too
+ percentage = ((float) maxCount * 100) / nongap;
+ }
+ residueHash.put(PID_NOGAPS, new Float(percentage));
+
+ result[i] = residueHash;
+ }
+ }
+
+ /**
+ * Compute all or part of the annotation row from the given consensus
+ * hashtable
+ *
+ * @param consensus
+ * - pre-allocated annotation row
+ * @param hconsensus
+ * @param iStart
+ * @param width
+ * @param ignoreGapsInConsensusCalculation
+ * @param includeAllConsSymbols
+ * @param nseq
+ */
+ public static void completeConsensus(AlignmentAnnotation consensus,
+ Hashtable[] hconsensus, int iStart, int width,
+ boolean ignoreGapsInConsensusCalculation,
+ boolean includeAllConsSymbols, long nseq)
+ {
+ completeConsensus(consensus, hconsensus, iStart, width,
+ ignoreGapsInConsensusCalculation, includeAllConsSymbols, null, nseq); // new
+ // char[]
+ // { 'A', 'C', 'G', 'T', 'U' });
+ }
+
+ public static void completeConsensus(AlignmentAnnotation consensus,
+ Hashtable[] hconsensus, int iStart, int width,
+ boolean ignoreGapsInConsensusCalculation,
+ boolean includeAllConsSymbols, char[] alphabet, long nseq)
+ {
+ float tval, value;
+ if (consensus == null || consensus.annotations == null
+ || consensus.annotations.length < width)
+ {
+ // called with a bad alignment annotation row - wait for it to be
+ // initialised properly
+ return;
+ }
+ String fmtstr="%3.1f";
+ int precision=0;
+ while (nseq>=10) {
+ precision++;
+ nseq/=10;
+ }
+ final Format fmt;
+ if (precision>1)
+ {
+ //if (precision>2)
+ {
+ fmtstr = "%"+(2+precision)+"."+(precision)+"f";
+ }
+ fmt = new Format(fmtstr);
+ } else {
+ fmt = null;
+ }
+ for (int i = iStart; i < width; i++)
+ {
+ Hashtable hci;
+ if (i >= hconsensus.length || ((hci = hconsensus[i]) == null))
+ {
+ // happens if sequences calculated over were shorter than alignment
+ // width
+ consensus.annotations[i] = null;
+ continue;
+ }
+ value = 0;
+ Float fv;
+ if (ignoreGapsInConsensusCalculation)
+ {
+ fv = (Float) hci.get(AAFrequency.PID_NOGAPS);
+ }
+ else
+ {
+ fv = (Float) hci.get(AAFrequency.PID_GAPS);
+ }
+ if (fv == null)
+ {
+ consensus.annotations[i] = null;
+ // data has changed below us .. give up and
+ continue;
+ }
+ value = fv.floatValue();
+ String maxRes = hci.get(AAFrequency.MAXRESIDUE).toString();
+ String mouseOver = hci.get(AAFrequency.MAXRESIDUE) + " ";
+ if (maxRes.length() > 1)
+ {
+ mouseOver = "[" + maxRes + "] ";
+ maxRes = "+";
+ }
+ int[][] profile = (int[][]) hci.get(AAFrequency.PROFILE);
+ if (profile != null && includeAllConsSymbols)
+ {
+ mouseOver = "";
+ if (alphabet != null)
+ {
+ for (int c = 0; c < alphabet.length; c++)
+ {
+ tval = profile[0][alphabet[c]] * 100f
+ / profile[1][ignoreGapsInConsensusCalculation ? 1 : 0];
+ mouseOver += ((c == 0) ? "" : "; ") + alphabet[c] + " "
+ + ((fmt!=null) ? fmt.form(tval) : ((int) tval)) + "%";
+ }
+ }
+ else
+ {
+ Object[] ca = new Object[profile[0].length];
+ float[] vl = new float[profile[0].length];
+ for (int c = 0; c < ca.length; c++)
+ {
+ ca[c] = new char[]
+ { (char) c };
+ vl[c] = profile[0][c];
+ }
+ ;
+ jalview.util.QuickSort.sort(vl, ca);
+ for (int p = 0, c = ca.length - 1; profile[0][((char[]) ca[c])[0]] > 0; c--)
+ {
+ if (((char[]) ca[c])[0] != '-')
+ {
+ tval = profile[0][((char[]) ca[c])[0]]
+ * 100f
+ / profile[1][ignoreGapsInConsensusCalculation ? 1 : 0];
+ mouseOver += ((p == 0) ? "" : "; ") + ((char[]) ca[c])[0]
+ + " " + ((fmt!=null) ? fmt.form(tval) : ((int) tval)) + "%";
+ p++;
+
+ }
+ }
+
+ }
+ }
+ else
+ {
+ mouseOver += ((fmt!=null) ? fmt.form(value) : ((int) value)) + "%";
+ }
+ consensus.annotations[i] = new Annotation(maxRes, mouseOver, ' ',
+ value);
+ }
+ }
+
+ /**
+ * get the sorted profile for the given position of the consensus
+ *
+ * @param hconsensus
+ * @return
+ */
+ public static int[] extractProfile(Hashtable hconsensus,
+ boolean ignoreGapsInConsensusCalculation)
+ {
+ int[] rtnval = new int[64];
+ int[][] profile = (int[][]) hconsensus.get(AAFrequency.PROFILE);
+ if (profile == null)
+ return null;
+ Object[] ca = new Object[profile[0].length];
+ float[] vl = new float[profile[0].length];
+ for (int c = 0; c < ca.length; c++)
+ {
+ ca[c] = new char[]
+ { (char) c };
+ vl[c] = profile[0][c];
+ }
+ ;
+ jalview.util.QuickSort.sort(vl, ca);
+ rtnval[0] = 2;
+ rtnval[1] = 0;
+ for (int c = ca.length - 1; profile[0][((char[]) ca[c])[0]] > 0; c--)
+ {
+ if (((char[]) ca[c])[0] != '-')
+ {
+ rtnval[rtnval[0]++] = ((char[]) ca[c])[0];
+ rtnval[rtnval[0]] = (int) (profile[0][((char[]) ca[c])[0]] * 100f / profile[1][ignoreGapsInConsensusCalculation ? 1
+ : 0]);
+ rtnval[1] += rtnval[rtnval[0]++];
+ }
+ }
+ return rtnval;
+ }
+}