-/*\r
-* Jalview - A Sequence Alignment Editor and Viewer\r
-* Copyright (C) 2005 AM Waterhouse, J Procter, G Barton, M Clamp, S Searle\r
-*\r
-* This program is free software; you can redistribute it and/or\r
-* modify it under the terms of the GNU General Public License\r
-* as published by the Free Software Foundation; either version 2\r
-* of the License, or (at your option) any later version.\r
-*\r
-* This program is distributed in the hope that it will be useful,\r
-* but WITHOUT ANY WARRANTY; without even the implied warranty of\r
-* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the\r
-* GNU General Public License for more details.\r
-*\r
-* You should have received a copy of the GNU General Public License\r
-* along with this program; if not, write to the Free Software\r
-* Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA\r
-*/\r
-\r
-package jalview.analysis;\r
-\r
-import jalview.jbgui.*;\r
-import jalview.datamodel.*;\r
-import jalview.io.*;\r
-import jalview.analysis.*;\r
-\r
-import java.awt.*;\r
-import java.applet.Applet;\r
-import java.util.*;\r
-import java.net.*;\r
-import java.io.*;\r
-\r
-public class AAFrequency {\r
-\r
- // Takes in a vector of sequences and column start and column end\r
- // and returns a vector of size (end-start+1). Each element of the\r
- // vector contains a hashtable with the keys being residues and\r
- // the values being the count of each residue in that column.\r
- // This class is used extensively in calculating alignment colourschemes\r
- // that depend on the amount of conservation in each alignment column.\r
-\r
-\r
- public static Vector calculate(Vector sequences,int start,int end) {\r
-\r
- Vector result = new Vector();\r
-\r
- for (int i = start;i <= end; i++)\r
- {\r
-\r
- Hashtable residueHash = new Hashtable();\r
- int maxCount = 0;\r
- String maxResidue = "-";\r
- int nongap = 0;\r
- for (int j=0; j < sequences.size(); j++)\r
- {\r
-\r
- if (sequences.elementAt(j) instanceof Sequence)\r
- {\r
- Sequence s = (Sequence)sequences.elementAt(j);\r
-\r
- if (s.getSequence().length() > i)\r
- {\r
-\r
- String res = s.getSequence().charAt(i)+"";\r
-\r
- if (!jalview.util.Comparison.isGap(res.charAt(0)))\r
- nongap++;\r
- else\r
- res = "-"; // we always use this for gaps in the property vectors\r
-\r
- if (residueHash.containsKey(res))\r
- {\r
-\r
- int count = ((Integer)residueHash.get(res)).intValue() ;\r
- count++;\r
-\r
- if (!jalview.util.Comparison.isGap(res.charAt(0)) && count >= maxCount)\r
- {\r
-\r
- if(count>maxCount)\r
- maxResidue = res;\r
- else if(maxResidue.indexOf(res)==-1)\r
- maxResidue += res;\r
-\r
- maxCount = count;\r
- }\r
-\r
- residueHash.put(res,new Integer(count));\r
- }\r
- else\r
- residueHash.put(res,new Integer(1));\r
-\r
-\r
- }\r
- else\r
- {\r
- if (residueHash.containsKey("-"))\r
- {\r
- int count = ((Integer)residueHash.get("-")).intValue() ;\r
- count++;\r
- residueHash.put("-",new Integer(count));\r
- }\r
- else\r
- residueHash.put("-",new Integer(1));\r
-\r
- }\r
- }\r
- }\r
-\r
- residueHash.put("maxCount",new Integer(maxCount));\r
- if(maxCount<0)\r
- System.out.println("asasa "+maxCount);\r
- residueHash.put("maxResidue", maxResidue);\r
- residueHash.put("size", new Integer(sequences.size()));\r
- residueHash.put("nongap", new Integer(nongap));\r
- result.addElement(residueHash);\r
- }\r
-\r
- return result;\r
- }\r
-\r
- public static Vector calculatePID(SequenceI refseq,Vector sequences,int window,int start,int end) {\r
-\r
- Vector result = new Vector();\r
-\r
- boolean init = true;\r
-\r
-\r
- Vector prev = null;\r
-\r
- for (int i = start;i <= end; i++) {\r
- Vector values = new Vector();\r
-\r
- result.addElement(values);\r
-\r
- // If start < window/2 then set value to zero.\r
-\r
- if (i< window/2 || i >= refseq.getSequence().length()-window/2) {\r
- for (int j = 0; j < sequences.size(); j++) {\r
- values.addElement(new Integer(0));\r
- }\r
- } else if (init == true) {\r
- init = false;\r
-\r
- int winstart = i-window/2;\r
- int winend = i+window/2;\r
-\r
- if (window%2 != 0) {\r
- winend++;\r
- }\r
-\r
- for (int j = 0; j < sequences.size(); j++) {\r
- values.addElement(new Integer(0));\r
- }\r
-\r
- for (int k = winstart; k <= winend; k++) {\r
- String refchar = refseq.getSequence().substring(k,k+1);\r
- if (jalview.util.Comparison.isGap(refchar.charAt(0)))\r
- refchar="-";\r
- else {\r
- for (int j = 0; j < sequences.size(); j++) {\r
-\r
- Sequence s = (Sequence)sequences.elementAt(j);\r
-\r
- if (s.getSequence().length() > k) {\r
-\r
- String res = s.getSequence().substring(k,k+1); // no gapchar test needed\r
-\r
- if (res.equals(refchar)) {\r
- int val = ((Integer)values.elementAt(j)).intValue();\r
- val++;\r
- values.setElementAt(new Integer(val),j);\r
- }\r
- }\r
- }\r
- }\r
-\r
- }\r
-\r
- prev = values;\r
- } else {\r
- int winstart = i-window/2;\r
- int winend = i+window/2;\r
-\r
- if (window%2 != 0) {\r
- winend++;\r
- }\r
- // We need to take the previous set of values\r
- // subtract the pid at winstart-1\r
- // and add the pid at winend;\r
-\r
- String pre_refchar = refseq.getSequence().substring(winstart-1,winstart);\r
- String pos_refchar = "-";\r
-\r
- if (refseq.getSequence().length() > winend) {\r
- pos_refchar = refseq.getSequence().substring(winend,winend+1);\r
- }\r
-\r
- for (int j = 0; j < sequences.size(); j++) {\r
- // First copy the pid value from i-1\r
-\r
- int val = ((Integer)prev.elementAt(j)).intValue();\r
-\r
- Sequence s = (Sequence)sequences.elementAt(j);\r
-\r
- String pre_char = s.getSequence().substring(winstart-1,winstart);\r
-\r
- String pos_char = "-";\r
-\r
- if (s.getSequence().length() > winend) {\r
- pos_char = s.getSequence().substring(winend,winend+1);\r
- }\r
-\r
- // Now substract 1 if the chars at winstart-1 match\r
-\r
- if (jalview.util.Comparison.isGap(pre_refchar.charAt(0)) == false\r
- && pre_char.equals(pre_refchar)) {\r
- val--;\r
- }\r
-\r
- if (jalview.util.Comparison.isGap(pos_refchar.charAt(0)) == false\r
- && pos_char.equals(pos_refchar)) {\r
- val++;\r
- }\r
-\r
- values.addElement(new Integer(val));\r
-\r
-\r
- }\r
- prev = values;\r
- }\r
- }\r
-\r
- return result;\r
- }\r
-\r
- public static Hashtable findBlocks(Vector seqs, int start, int end,Vector exc) {\r
-\r
- // start and end are in real (not relative coords);\r
-\r
- // The coords in the hashtable that is returned are in relative coords\r
- // i.e. start from 0\r
-\r
- Hashtable blocks = new Hashtable();\r
-\r
- boolean prev = false;\r
- int bstart = -1;\r
-\r
- for (int i = start; i <= end ; i++) {\r
- SequenceI seq = (SequenceI)seqs.elementAt(0);\r
-\r
- char c = seq.getCharAt(i);\r
-\r
- boolean found = true;\r
-\r
- int j = 1;\r
-\r
- while (j < seqs.size() && found == true) {\r
-\r
- SequenceI jseq = (SequenceI)seqs.elementAt(j);\r
-\r
- if (!exc.contains(jseq)) {\r
-\r
- char cc = jseq.getCharAt(i);\r
-\r
- if ( cc != c) {\r
- found = false;\r
- }\r
- }\r
- j++;\r
- }\r
-\r
-\r
- if (prev == false && found == true) {\r
- bstart = i;\r
- } else if (prev == true && found == false && bstart != -1) {\r
-\r
- int blockstart = bstart-start;\r
- int blocklen = i-bstart;\r
-\r
- //System.out.println("Start len " + blockstart + " " + blocklen);\r
-\r
- for (int jj = blockstart; jj < blockstart + blocklen;jj++) {\r
- blocks.put(new Integer(jj),new Integer(blocklen));\r
- }\r
-\r
- bstart = -1;\r
- }\r
- prev = found;\r
- }\r
-\r
- if (bstart != -1) {\r
-\r
- int blockstart = bstart-start;\r
- int blocklen = end-bstart;\r
-\r
- // System.out.println("Start len " + blockstart + " " + blocklen);\r
-\r
- for (int jj = blockstart; jj < blockstart + blocklen;jj++) {\r
- blocks.put(new Integer(blockstart),new Integer(blocklen));\r
- }\r
-\r
- }\r
- return blocks;\r
- }\r
-\r
-\r
-\r
- public static Hashtable findKmerCount(SequenceI seq, int start, int end,int window, int step,Vector kmers) {\r
-\r
- int tmpstart = start;\r
- Hashtable vals = new Hashtable();\r
-\r
- while (tmpstart <= end) {\r
-\r
- String tmpstr = seq.getSequence().substring(tmpstart-window/2,tmpstart+window/2);\r
-\r
- int count = 0;\r
-\r
- //System.out.println("Str " + tmpstr);\r
-\r
- for (int ii = 0; ii < kmers.size(); ii++) {\r
- String kmer = ((SequenceI)kmers.elementAt(ii)).getSequence();\r
-\r
- int i = -1;\r
-\r
- while (tmpstr.indexOf(kmer,i) != -1) {\r
- i = tmpstr.indexOf(kmer,i);\r
-\r
- i++;\r
- count++;\r
- }\r
- ii++;\r
- }\r
- vals.put(new Integer(tmpstart),new Integer(count));\r
- tmpstart += step;\r
- }\r
- return vals;\r
- }\r
-\r
- public static Hashtable findBlockStarts(Vector seqs, int start, int end,Vector exc) {\r
-\r
- // start and end are in real (not relative coords);\r
-\r
- // The coords in the hashtable that is returned are in relative coords\r
- // i.e. start from 0\r
-\r
- Hashtable blocks = new Hashtable();\r
-\r
- boolean prev = false;\r
- int bstart = -1;\r
-\r
- for (int i = start; i <= end ; i++) {\r
- SequenceI seq = (SequenceI)seqs.elementAt(0);\r
-\r
- char c = seq.getCharAt(i);\r
-\r
- boolean found = true;\r
-\r
- int j = 1;\r
-\r
- while (j < seqs.size() && found == true) {\r
-\r
- SequenceI jseq = (SequenceI)seqs.elementAt(j);\r
-\r
- if (!exc.contains(jseq)) {\r
-\r
- char cc = jseq.getCharAt(i);\r
-\r
- if ( cc != c) {\r
- found = false;\r
- }\r
- }\r
- j++;\r
- }\r
-\r
-\r
- if (prev == false && found == true) {\r
- bstart = i;\r
- } else if (prev == true && found == false && bstart != -1) {\r
-\r
- int blockstart = bstart-start;\r
- int blocklen = i-bstart;\r
-\r
- // System.out.println("Start len " + blockstart + " " + blocklen);\r
-\r
- //for (int jj = blockstart; jj < blockstart + blocklen;jj++) {\r
- blocks.put(new Integer(blockstart),new Integer(blocklen));\r
- // }\r
-\r
- bstart = -1;\r
- }\r
- prev = found;\r
- }\r
-\r
- if (bstart != -1) {\r
-\r
- int blockstart = bstart-start;\r
- int blocklen = end-bstart;\r
-\r
- // System.out.println("Start len " + blockstart + " " + blocklen);\r
-\r
- //for (int jj = blockstart; jj < blockstart + blocklen;jj++) {\r
- blocks.put(new Integer(blockstart),new Integer(blocklen));\r
- // }\r
-\r
- }\r
- return blocks;\r
- }\r
-\r
-}\r
-\r
+/*
+ * Jalview - A Sequence Alignment Editor and Viewer (Version 2.9)
+ * 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.
+ *
+ * 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 <http://www.gnu.org/licenses/>.
+ * The Jalview Authors are detailed in the 'AUTHORS' file.
+ */
+package jalview.analysis;
+
+import jalview.datamodel.AlignedCodonFrame;
+import jalview.datamodel.AlignmentAnnotation;
+import jalview.datamodel.AlignmentI;
+import jalview.datamodel.Annotation;
+import jalview.datamodel.SequenceI;
+import jalview.util.Format;
+import jalview.util.MappingUtils;
+import jalview.util.QuickSort;
+
+import java.util.Arrays;
+import java.util.Hashtable;
+import java.util.List;
+import java.util.Set;
+
+/**
+ * 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
+{
+ private static final int TO_UPPER_CASE = 'A' - 'a'; // -32
+
+ 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 String ENCODED_CHARS = "E";
+
+ /*
+ * Quick look-up of String value of char 'A' to 'Z'
+ */
+ private static final String[] CHARS = new String['Z' - 'A' + 1];
+
+ static
+ {
+ for (char c = 'A'; c <= 'Z'; c++)
+ {
+ CHARS[c - 'A'] = String.valueOf(c);
+ }
+ }
+
+ public static final Hashtable[] calculate(List<SequenceI> list,
+ int start, int end)
+ {
+ return calculate(list, start, end, false);
+ }
+
+ public static final Hashtable[] calculate(List<SequenceI> 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, boolean profile)
+ {
+ Hashtable residueHash;
+ int maxCount, nongap, i, j, v;
+ int 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 += TO_UPPER_CASE;
+ }
+
+ nongap++;
+ values[c]++;
+
+ }
+ else
+ {
+ values['-']++;
+ }
+ }
+ if (jSize == 1)
+ {
+ maxResidue = String.valueOf(c);
+ maxCount = 1;
+ }
+ else
+ {
+ for (v = 'A'; v <= 'Z'; v++)
+ {
+ // TODO why ignore values[v] == 1?
+ if (values[v] < 1 /* 2 */|| values[v] < maxCount)
+ {
+ continue;
+ }
+
+ if (values[v] > maxCount)
+ {
+ maxResidue = CHARS[v - 'A'];
+ }
+ else if (values[v] == maxCount)
+ {
+ maxResidue += CHARS[v - 'A'];
+ }
+ maxCount = values[v];
+ }
+ }
+ if (maxResidue.length() == 0)
+ {
+ maxResidue = "-";
+ }
+ if (profile)
+ {
+ // TODO use a 1-dimensional array with jSize, nongap in [0] and [1]
+ 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);
+ }
+
+ /**
+ * Derive the consensus annotations to be added to the alignment for display.
+ * This does not recompute the raw data, but may be called on a change in
+ * display options, such as 'show logo', which may in turn result in a change
+ * in the derived values.
+ *
+ * @param consensus
+ * the annotation row to add annotations to
+ * @param hconsensus
+ * the source consensus data
+ * @param iStart
+ * start column
+ * @param width
+ * end column
+ * @param ignoreGapsInConsensusCalculation
+ * if true, use the consensus calculated ignoring gaps
+ * @param includeAllConsSymbols
+ * if true include all consensus symbols, else just show modal
+ * residue
+ * @param alphabet
+ * @param nseq
+ * number of sequences
+ */
+ public static void completeConsensus(AlignmentAnnotation consensus,
+ Hashtable[] hconsensus, int iStart, int width,
+ boolean ignoreGapsInConsensusCalculation,
+ boolean includeAllConsSymbols, char[] alphabet, long nseq)
+ {
+ 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;
+ }
+
+ final Format fmt = getPercentageFormat(nseq);
+
+ 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;
+ }
+ Float fv = (Float) hci
+ .get(ignoreGapsInConsensusCalculation ? PID_NOGAPS : PID_GAPS);
+ if (fv == null)
+ {
+ consensus.annotations[i] = null;
+ // data has changed below us .. give up and
+ continue;
+ }
+ float value = fv.floatValue();
+ String maxRes = hci.get(AAFrequency.MAXRESIDUE).toString();
+ StringBuilder mouseOver = new StringBuilder(64);
+ if (maxRes.length() > 1)
+ {
+ mouseOver.append("[").append(maxRes).append("] ");
+ maxRes = "+";
+ }
+ else
+ {
+ mouseOver.append(hci.get(AAFrequency.MAXRESIDUE) + " ");
+ }
+ int[][] profile = (int[][]) hci.get(AAFrequency.PROFILE);
+ if (profile != null && includeAllConsSymbols)
+ {
+ int sequenceCount = profile[1][0];
+ int nonGappedCount = profile[1][1];
+ int normalisedBy = ignoreGapsInConsensusCalculation ? nonGappedCount
+ : sequenceCount;
+ mouseOver.setLength(0);
+ if (alphabet != null)
+ {
+ for (int c = 0; c < alphabet.length; c++)
+ {
+ float tval = profile[0][alphabet[c]] * 100f / normalisedBy;
+ mouseOver
+ .append(((c == 0) ? "" : "; "))
+ .append(alphabet[c])
+ .append(" ")
+ .append(((fmt != null) ? fmt.form(tval) : ((int) tval)))
+ .append("%");
+ }
+ }
+ else
+ {
+ // TODO do this sort once only in calculate()?
+ // char[][] ca = new char[profile[0].length][];
+ char[] ca = new char[profile[0].length];
+ float[] vl = new float[profile[0].length];
+ for (int c = 0; c < ca.length; c++)
+ {
+ ca[c] = (char) c;
+ // ca[c] = new char[]
+ // { (char) c };
+ vl[c] = profile[0][c];
+ }
+ QuickSort.sort(vl, ca);
+ for (int p = 0, c = ca.length - 1; profile[0][ca[c]] > 0; c--)
+ {
+ final char residue = ca[c];
+ if (residue != '-')
+ {
+ float tval = profile[0][residue] * 100f / normalisedBy;
+ mouseOver
+ .append((((p == 0) ? "" : "; ")))
+ .append(residue)
+ .append(" ")
+ .append(((fmt != null) ? fmt.form(tval)
+ : ((int) tval))).append("%");
+ p++;
+ }
+ }
+ }
+ }
+ else
+ {
+ mouseOver.append(
+ (((fmt != null) ? fmt.form(value) : ((int) value))))
+ .append("%");
+ }
+ consensus.annotations[i] = new Annotation(maxRes,
+ mouseOver.toString(), ' ', value);
+ }
+ }
+
+ /**
+ * Returns a Format designed to show all significant figures for profile
+ * percentages. For less than 100 sequences, returns null (the integer
+ * percentage value will be displayed). For 100-999 sequences, returns "%3.1f"
+ *
+ * @param nseq
+ * @return
+ */
+ protected static Format getPercentageFormat(long nseq)
+ {
+ int scale = 0;
+ while (nseq >= 10)
+ {
+ scale++;
+ nseq /= 10;
+ }
+ return scale <= 1 ? null : new Format("%3." + (scale - 1) + "f");
+ }
+
+ /**
+ * Returns the sorted profile for the given consensus data. The returned array
+ * contains
+ *
+ * <pre>
+ * [profileType, numberOfValues, nonGapCount, charValue1, percentage1, charValue2, percentage2, ...]
+ * in descending order of percentage value
+ * </pre>
+ *
+ * @param hconsensus
+ * the data table from which to extract and sort values
+ * @param ignoreGaps
+ * if true, only non-gapped values are included in percentage
+ * calculations
+ * @return
+ */
+ public static int[] extractProfile(Hashtable hconsensus,
+ boolean ignoreGaps)
+ {
+ int[] rtnval = new int[64];
+ int[][] profile = (int[][]) hconsensus.get(AAFrequency.PROFILE);
+ if (profile == null)
+ {
+ return null;
+ }
+ char[] ca = new char[profile[0].length];
+ float[] vl = new float[profile[0].length];
+ for (int c = 0; c < ca.length; c++)
+ {
+ ca[c] = (char) c;
+ vl[c] = profile[0][c];
+ }
+ QuickSort.sort(vl, ca);
+ int nextArrayPos = 2;
+ int totalPercentage = 0;
+ int distinctValuesCount = 0;
+ final int divisor = profile[1][ignoreGaps ? 1 : 0];
+ for (int c = ca.length - 1; profile[0][ca[c]] > 0; c--)
+ {
+ if (ca[c] != '-')
+ {
+ rtnval[nextArrayPos++] = ca[c];
+ final int percentage = (int) (profile[0][ca[c]] * 100f / divisor);
+ rtnval[nextArrayPos++] = percentage;
+ totalPercentage += percentage;
+ distinctValuesCount++;
+ }
+ }
+ rtnval[0] = distinctValuesCount;
+ rtnval[1] = totalPercentage;
+ int[] result = new int[rtnval.length + 1];
+ result[0] = AlignmentAnnotation.SEQUENCE_PROFILE;
+ System.arraycopy(rtnval, 0, result, 1, rtnval.length);
+
+ return result;
+ }
+
+ /**
+ * Extract a sorted extract of cDNA codon profile data. The returned array
+ * contains
+ *
+ * <pre>
+ * [profileType, numberOfValues, totalCount, charValue1, percentage1, charValue2, percentage2, ...]
+ * in descending order of percentage value, where the character values encode codon triplets
+ * </pre>
+ *
+ * @param hashtable
+ * @return
+ */
+ public static int[] extractCdnaProfile(Hashtable hashtable,
+ boolean ignoreGaps)
+ {
+ // this holds #seqs, #ungapped, and then codon count, indexed by encoded
+ // codon triplet
+ int[] codonCounts = (int[]) hashtable.get(PROFILE);
+ int[] sortedCounts = new int[codonCounts.length - 2];
+ System.arraycopy(codonCounts, 2, sortedCounts, 0,
+ codonCounts.length - 2);
+
+ int[] result = new int[3 + 2 * sortedCounts.length];
+ // first value is just the type of profile data
+ result[0] = AlignmentAnnotation.CDNA_PROFILE;
+
+ char[] codons = new char[sortedCounts.length];
+ for (int i = 0; i < codons.length; i++)
+ {
+ codons[i] = (char) i;
+ }
+ QuickSort.sort(sortedCounts, codons);
+ int totalPercentage = 0;
+ int distinctValuesCount = 0;
+ int j = 3;
+ int divisor = ignoreGaps ? codonCounts[1] : codonCounts[0];
+ for (int i = codons.length - 1; i >= 0; i--)
+ {
+ final int codonCount = sortedCounts[i];
+ if (codonCount == 0)
+ {
+ break; // nothing else of interest here
+ }
+ distinctValuesCount++;
+ result[j++] = codons[i];
+ final int percentage = codonCount * 100 / divisor;
+ result[j++] = percentage;
+ totalPercentage += percentage;
+ }
+ result[2] = totalPercentage;
+
+ /*
+ * Just return the non-zero values
+ */
+ // todo next value is redundant if we limit the array to non-zero counts
+ result[1] = distinctValuesCount;
+ return Arrays.copyOfRange(result, 0, j);
+ }
+
+ /**
+ * Compute a consensus for the cDNA coding for a protein alignment.
+ *
+ * @param alignment
+ * the protein alignment (which should hold mappings to cDNA
+ * sequences)
+ * @param hconsensus
+ * the consensus data stores to be populated (one per column)
+ */
+ public static void calculateCdna(AlignmentI alignment,
+ Hashtable[] hconsensus)
+ {
+ final char gapCharacter = alignment.getGapCharacter();
+ Set<AlignedCodonFrame> mappings = alignment.getCodonFrames();
+ if (mappings == null || mappings.isEmpty())
+ {
+ return;
+ }
+
+ int cols = alignment.getWidth();
+ for (int col = 0; col < cols; col++)
+ {
+ // todo would prefer a Java bean for consensus data
+ Hashtable<String, int[]> columnHash = new Hashtable<String, int[]>();
+ // #seqs, #ungapped seqs, counts indexed by (codon encoded + 1)
+ int[] codonCounts = new int[66];
+ codonCounts[0] = alignment.getSequences().size();
+ int ungappedCount = 0;
+ for (SequenceI seq : alignment.getSequences())
+ {
+ if (seq.getCharAt(col) == gapCharacter)
+ {
+ continue;
+ }
+ char[] codon = MappingUtils.findCodonFor(seq, col, mappings);
+ int codonEncoded = CodingUtils.encodeCodon(codon);
+ if (codonEncoded >= 0)
+ {
+ codonCounts[codonEncoded + 2]++;
+ ungappedCount++;
+ }
+ }
+ codonCounts[1] = ungappedCount;
+ // todo: sort values here, save counts and codons?
+ columnHash.put(PROFILE, codonCounts);
+ hconsensus[col] = columnHash;
+ }
+ }
+
+ /**
+ * Derive displayable cDNA consensus annotation from computed consensus data.
+ *
+ * @param consensusAnnotation
+ * the annotation row to be populated for display
+ * @param consensusData
+ * the computed consensus data
+ * @param showProfileLogo
+ * if true show all symbols present at each position, else only the
+ * modal value
+ * @param nseqs
+ * the number of sequences in the alignment
+ */
+ public static void completeCdnaConsensus(
+ AlignmentAnnotation consensusAnnotation,
+ Hashtable[] consensusData, boolean showProfileLogo, int nseqs)
+ {
+ if (consensusAnnotation == null
+ || consensusAnnotation.annotations == null
+ || consensusAnnotation.annotations.length < consensusData.length)
+ {
+ // called with a bad alignment annotation row - wait for it to be
+ // initialised properly
+ return;
+ }
+
+ // ensure codon triplet scales with font size
+ consensusAnnotation.scaleColLabel = true;
+ for (int col = 0; col < consensusData.length; col++)
+ {
+ Hashtable hci = consensusData[col];
+ if (hci == null)
+ {
+ // gapped protein column?
+ continue;
+ }
+ // array holds #seqs, #ungapped, then codon counts indexed by codon
+ final int[] codonCounts = (int[]) hci.get(PROFILE);
+ int totalCount = 0;
+
+ /*
+ * First pass - get total count and find the highest
+ */
+ final char[] codons = new char[codonCounts.length - 2];
+ for (int j = 2; j < codonCounts.length; j++)
+ {
+ final int codonCount = codonCounts[j];
+ codons[j - 2] = (char) (j - 2);
+ totalCount += codonCount;
+ }
+
+ /*
+ * Sort array of encoded codons by count ascending - so the modal value
+ * goes to the end; start by copying the count (dropping the first value)
+ */
+ int[] sortedCodonCounts = new int[codonCounts.length - 2];
+ System.arraycopy(codonCounts, 2, sortedCodonCounts, 0,
+ codonCounts.length - 2);
+ QuickSort.sort(sortedCodonCounts, codons);
+
+ int modalCodonEncoded = codons[codons.length - 1];
+ int modalCodonCount = sortedCodonCounts[codons.length - 1];
+ String modalCodon = String.valueOf(CodingUtils
+ .decodeCodon(modalCodonEncoded));
+ if (sortedCodonCounts.length > 1
+ && sortedCodonCounts[codons.length - 2] == modalCodonEncoded)
+ {
+ modalCodon = "+";
+ }
+ float pid = sortedCodonCounts[sortedCodonCounts.length - 1] * 100
+ / (float) totalCount;
+
+ /*
+ * todo ? Replace consensus hashtable with sorted arrays of codons and
+ * counts (non-zero only). Include total count in count array [0].
+ */
+
+ /*
+ * Scan sorted array backwards for most frequent values first. Show
+ * repeated values compactly.
+ */
+ StringBuilder mouseOver = new StringBuilder(32);
+ StringBuilder samePercent = new StringBuilder();
+ String percent = null;
+ String lastPercent = null;
+ Format fmt = getPercentageFormat(nseqs);
+
+ for (int j = codons.length - 1; j >= 0; j--)
+ {
+ int codonCount = sortedCodonCounts[j];
+ if (codonCount == 0)
+ {
+ /*
+ * remaining codons are 0% - ignore, but finish off the last one if
+ * necessary
+ */
+ if (samePercent.length() > 0)
+ {
+ mouseOver.append(samePercent).append(": ").append(percent)
+ .append("% ");
+ }
+ break;
+ }
+ int codonEncoded = codons[j];
+ final int pct = codonCount * 100 / totalCount;
+ String codon = String
+ .valueOf(CodingUtils.decodeCodon(codonEncoded));
+ percent = fmt == null ? Integer.toString(pct) : fmt.form(pct);
+ if (showProfileLogo || codonCount == modalCodonCount)
+ {
+ if (percent.equals(lastPercent) && j > 0)
+ {
+ samePercent.append(samePercent.length() == 0 ? "" : ", ");
+ samePercent.append(codon);
+ }
+ else
+ {
+ if (samePercent.length() > 0)
+ {
+ mouseOver.append(samePercent).append(": ")
+ .append(lastPercent).append("% ");
+ }
+ samePercent.setLength(0);
+ samePercent.append(codon);
+ }
+ lastPercent = percent;
+ }
+ }
+
+ consensusAnnotation.annotations[col] = new Annotation(modalCodon,
+ mouseOver.toString(), ' ', pid);
+ }
+ }
+}
git://source.jalview.org / jalview.git / blobdiff