/* * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$) * Copyright (C) $$Year-Rel$$ 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 jalview.datamodel.PDBEntry; import jalview.datamodel.Sequence; import jalview.datamodel.SequenceFeature; import jalview.datamodel.SequenceI; import jalview.util.Comparison; import java.util.Enumeration; import java.util.Hashtable; import java.util.Vector; public class SeqsetUtils { /** * Store essential properties of a sequence in a hashtable for later recovery * Keys are Name, Start, End, SeqFeatures, PdbId * * @param seq * SequenceI * @return Hashtable */ public static Hashtable SeqCharacterHash(SequenceI seq) { Hashtable sqinfo = new Hashtable(); sqinfo.put("Name", seq.getName()); sqinfo.put("Start", new Integer(seq.getStart())); sqinfo.put("End", new Integer(seq.getEnd())); if (seq.getDescription() != null) { sqinfo.put("Description", seq.getDescription()); } Vector sfeat = new Vector(); SequenceFeature[] sfarray = seq.getSequenceFeatures(); if (sfarray != null && sfarray.length > 0) { for (int i = 0; i < sfarray.length; i++) { sfeat.addElement(sfarray[i]); } } sqinfo.put("SeqFeatures", sfeat); sqinfo.put("PdbId", (seq.getPDBId() != null) ? seq.getPDBId() : new Vector()); sqinfo.put("datasetSequence", (seq.getDatasetSequence() != null) ? seq.getDatasetSequence() : new Sequence("THISISAPLACEHOLDER", "")); return sqinfo; } /** * Recover essential properties of a sequence from a hashtable TODO: replace * these methods with something more elegant. * * @param sq * SequenceI * @param sqinfo * Hashtable * @return boolean true if name was not updated from sqinfo Name entry */ public static boolean SeqCharacterUnhash(SequenceI sq, Hashtable sqinfo) { boolean namePresent = true; if (sqinfo == null) { return false; } String oldname = (String) sqinfo.get("Name"); Integer start = (Integer) sqinfo.get("Start"); Integer end = (Integer) sqinfo.get("End"); Vector sfeatures = (Vector) sqinfo.get("SeqFeatures"); Vector pdbid = (Vector) sqinfo.get("PdbId"); String description = (String) sqinfo.get("Description"); Sequence seqds = (Sequence) sqinfo.get("datasetSequence"); if (oldname == null) { namePresent = false; } else { sq.setName(oldname); } if (pdbid != null && pdbid.size() > 0) { sq.setPDBId(pdbid); } if ((start != null) && (end != null)) { sq.setStart(start.intValue()); sq.setEnd(end.intValue()); } if ((sfeatures != null) && (sfeatures.size() > 0)) { SequenceFeature[] sfarray = new SequenceFeature[sfeatures.size()]; for (int is = 0, isize = sfeatures.size(); is < isize; is++) { sfarray[is] = (SequenceFeature) sfeatures.elementAt(is); } sq.setSequenceFeatures(sfarray); } if (description != null) { sq.setDescription(description); } if ((seqds != null) && !(seqds.getName().equals("THISISAPLACEHOLDER") && seqds .getLength() == 0)) { sq.setDatasetSequence(seqds); } return namePresent; } /** * Form of the unique name used in uniquify for the i'th sequence in an * ordered vector of sequences. * * @param i * int * @return String */ public static String unique_name(int i) { return new String("Sequence" + i); } /** * Generates a hash of SeqCharacterHash properties for each sequence in a * sequence set, and optionally renames the sequences to an unambiguous 'safe' * name. * * @param sequences * SequenceI[] * @param write_names * boolean set this to rename each of the sequences to its * unique_name(index) name * @return Hashtable to be passed to * @see deuniquify to recover original names (and properties) for renamed * sequences */ public static Hashtable uniquify(SequenceI[] sequences, boolean write_names) { // Generate a safely named sequence set and a hash to recover the sequence // names Hashtable map = new Hashtable(); // String[] un_names = new String[sequences.length]; for (int i = 0; i < sequences.length; i++) { String safename = unique_name(i); map.put(safename, SeqCharacterHash(sequences[i])); if (write_names) { sequences[i].setName(safename); } } return map; } /** * recover unsafe sequence names and original properties for a sequence set * using a map generated by * * @see uniquify(sequences,true) * @param map * Hashtable * @param sequences * SequenceI[] * @return boolean */ public static boolean deuniquify(Hashtable map, SequenceI[] sequences) { return deuniquify(map, sequences, true); } /** * recover unsafe sequence names and original properties for a sequence set * using a map generated by * * @see uniquify(sequences,true) * @param map * Hashtable * @param sequences * SequenceI[] * @param quiet * when false, don't complain about sequences without any data in the * map. * @return boolean */ public static boolean deuniquify(Hashtable map, SequenceI[] sequences, boolean quiet) { SequenceIdMatcher matcher = new SequenceIdMatcher(sequences); SequenceI msq = null; Enumeration keys = map.keys(); Vector unmatched = new Vector(); for (int i = 0, j = sequences.length; i < j; i++) { unmatched.addElement(sequences[i]); } while (keys.hasMoreElements()) { Object key = keys.nextElement(); if (key instanceof String) { if ((msq = matcher.findIdMatch((String) key)) != null) { Hashtable sqinfo = (Hashtable) map.get(key); unmatched.removeElement(msq); SeqCharacterUnhash(msq, sqinfo); } else { if (!quiet) { System.err.println("Can't find '" + ((String) key) + "' in uniquified alignment"); } } } } if (unmatched.size() > 0 && !quiet) { System.err.println("Did not find matches for :"); for (Enumeration i = unmatched.elements(); i.hasMoreElements(); System.out .println(((SequenceI) i.nextElement()).getName())) { ; } return false; } return true; } /** * returns a subset of the sequenceI seuqences, including only those that * contain at least one residue. * * @param sequences * SequenceI[] * @return SequenceI[] */ public static SequenceI[] getNonEmptySequenceSet(SequenceI[] sequences) { // Identify first row of alignment with residues for prediction boolean ungapped[] = new boolean[sequences.length]; int msflen = 0; for (int i = 0, j = sequences.length; i < j; i++) { String tempseq = AlignSeq.extractGaps(Comparison.GapChars, sequences[i].getSequenceAsString()); if (tempseq.length() == 0) { ungapped[i] = false; } else { ungapped[i] = true; msflen++; } } if (msflen == 0) { return null; // no minimal set } // compose minimal set SequenceI[] mset = new SequenceI[msflen]; for (int i = 0, j = sequences.length, k = 0; i < j; i++) { if (ungapped[i]) { mset[k++] = sequences[i]; } } ungapped = null; return mset; } }