/* * 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.ws; import jalview.analysis.AlignSeq; import jalview.bin.Cache; import jalview.datamodel.AlignmentI; import jalview.datamodel.DBRefEntry; import jalview.datamodel.DBRefSource; import jalview.datamodel.Mapping; import jalview.datamodel.SequenceI; import jalview.gui.CutAndPasteTransfer; import jalview.gui.Desktop; import jalview.gui.FeatureSettings; import jalview.gui.IProgressIndicator; import jalview.gui.OOMWarning; import jalview.util.DBRefUtils; import jalview.util.MessageManager; import jalview.ws.seqfetcher.DbSourceProxy; import java.util.ArrayList; import java.util.Arrays; import java.util.Enumeration; import java.util.Hashtable; import java.util.List; import java.util.StringTokenizer; import java.util.Vector; import uk.ac.ebi.picr.model.UPEntry; import uk.ac.ebi.www.picr.AccessionMappingService.AccessionMapperServiceLocator; /** * Implements a runnable for validating a sequence against external databases * and then propagating references and features onto the sequence(s) * * @author $author$ * @version $Revision$ */ public class DBRefFetcher implements Runnable { private static final String NEWLINE = System.lineSeparator(); public static final String TRIM_RETRIEVED_SEQUENCES = "TRIM_FETCHED_DATASET_SEQS"; public interface FetchFinishedListenerI { void finished(); } SequenceI[] dataset; IProgressIndicator progressWindow; CutAndPasteTransfer output = new CutAndPasteTransfer(); boolean running = false; /** * picr client instance */ uk.ac.ebi.www.picr.AccessionMappingService.AccessionMapperInterface picrClient = null; // This will be a collection of Vectors of sequenceI refs. // The key will be the seq name or accession id of the seq Hashtable> seqRefs; DbSourceProxy[] dbSources; SequenceFetcher sfetcher; private List listeners; private SequenceI[] alseqs; /* * when true - retrieved sequences will be trimmed to cover longest derived * alignment sequence */ private boolean trimDsSeqs = true; /** * Creates a new DBRefFetcher object and fetches from the currently selected * set of databases, if this is null then it fetches based on feature settings * * @param seqs * fetch references for these SequenceI array * @param progressIndicatorFrame * the frame for progress bar monitoring * @param sources * array of DbSourceProxy to query references form * @param featureSettings * FeatureSettings to get alternative DbSourceProxy from * @param isNucleotide * indicates if the array of SequenceI are Nucleotides or not */ public DBRefFetcher(SequenceI[] seqs, IProgressIndicator progressIndicatorFrame, DbSourceProxy[] sources, FeatureSettings featureSettings, boolean isNucleotide) { listeners = new ArrayList<>(); this.progressWindow = progressIndicatorFrame; alseqs = new SequenceI[seqs.length]; SequenceI[] ds = new SequenceI[seqs.length]; for (int i = 0; i < seqs.length; i++) { alseqs[i] = seqs[i]; if (seqs[i].getDatasetSequence() != null) { ds[i] = seqs[i].getDatasetSequence(); } else { ds[i] = seqs[i]; } } this.dataset = ds; // TODO Jalview 2.5 lots of this code should be in the gui package! sfetcher = jalview.gui.SequenceFetcher .getSequenceFetcherSingleton(progressIndicatorFrame); // set default behaviour for transferring excess sequence data to the // dataset trimDsSeqs = Cache.getDefault(TRIM_RETRIEVED_SEQUENCES, true); if (sources == null) { setDatabaseSources(featureSettings, isNucleotide); } else { // we assume the caller knows what they're doing and ensured that all the // db source names are valid dbSources = sources; } } /** * Helper method to configure the list of database sources to query * * @param featureSettings * @param forNucleotide */ void setDatabaseSources(FeatureSettings featureSettings, boolean forNucleotide) { // af.featureSettings_actionPerformed(null); String[] defdb = null; List selsources = new ArrayList<>(); // select appropriate databases based on alignFrame context. if (forNucleotide) { defdb = DBRefSource.DNACODINGDBS; } else { defdb = DBRefSource.PROTEINDBS; } List srces = new ArrayList<>(); for (String ddb : defdb) { List srcesfordb = sfetcher.getSourceProxy(ddb); if (srcesfordb != null) { for (DbSourceProxy src : srcesfordb) { if (!srces.contains(src)) { srces.addAll(srcesfordb); } } } } // append the PDB data source, since it is 'special', catering for both // nucleotide and protein // srces.addAll(sfetcher.getSourceProxy(DBRefSource.PDB)); srces.addAll(selsources); dbSources = srces.toArray(new DbSourceProxy[srces.size()]); } /** * Constructor with only sequences provided * * @param sequences */ public DBRefFetcher(SequenceI[] sequences) { this(sequences, null, null, null, false); } /** * Add a listener to be notified when sequence fetching is complete * * @param l */ public void addListener(FetchFinishedListenerI l) { listeners.add(l); } /** * start the fetcher thread * * @param waitTillFinished * true to block until the fetcher has finished */ public void fetchDBRefs(boolean waitTillFinished) { // TODO can we not simply write // if (waitTillFinished) { run(); } else { new Thread(this).start(); } Thread thread = new Thread(this); thread.start(); running = true; if (waitTillFinished) { while (running) { try { Thread.sleep(500); } catch (Exception ex) { } } } } /** * The sequence will be added to a vector of sequences belonging to key which * could be either seq name or dbref id * * @param seq * SequenceI * @param key * String */ void addSeqId(SequenceI seq, String key) { key = key.toUpperCase(); Vector seqs; if (seqRefs.containsKey(key)) { seqs = seqRefs.get(key); if (seqs != null && !seqs.contains(seq)) { seqs.addElement(seq); } else if (seqs == null) { seqs = new Vector<>(); seqs.addElement(seq); } } else { seqs = new Vector<>(); seqs.addElement(seq); } seqRefs.put(key, seqs); } /** * DOCUMENT ME! */ @Override public void run() { if (dbSources == null) { throw new Error(MessageManager .getString("error.implementation_error_must_init_dbsources")); } running = true; long startTime = System.currentTimeMillis(); if (progressWindow != null) { progressWindow.setProgressBar( MessageManager.getString("status.fetching_db_refs"), startTime); } try { if (Cache.getDefault("DBREFFETCH_USEPICR", false)) { picrClient = new AccessionMapperServiceLocator() .getAccessionMapperPort(); } } catch (Exception e) { System.err.println("Couldn't locate PICR service instance.\n"); e.printStackTrace(); } Vector sdataset = new Vector<>( Arrays.asList(dataset)); List warningMessages = new ArrayList<>(); int db = 0; while (sdataset.size() > 0 && db < dbSources.length) { int maxqlen = 1; // default number of queries made at one time System.out.println("Verifying against " + dbSources[db].getDbName()); // iterate through db for each remaining un-verified sequence SequenceI[] currSeqs = new SequenceI[sdataset.size()]; sdataset.copyInto(currSeqs);// seqs that are to be validated against // dbSources[db] Vector queries = new Vector<>(); // generated queries curSeq seqRefs = new Hashtable<>(); int seqIndex = 0; DbSourceProxy dbsource = dbSources[db]; // for moment, we dumbly iterate over all retrieval sources for a // particular database // TODO: introduce multithread multisource queries and logic to remove a // query from other sources if any source for a database returns a // record maxqlen = dbsource.getMaximumQueryCount(); while (queries.size() > 0 || seqIndex < currSeqs.length) { if (queries.size() > 0) { // Still queries to make for current seqIndex StringBuffer queryString = new StringBuffer(""); int numq = 0; int nqSize = (maxqlen > queries.size()) ? queries.size() : maxqlen; while (queries.size() > 0 && numq < nqSize) { String query = queries.elementAt(0); if (dbsource.isValidReference(query)) { queryString.append( (numq == 0) ? "" : dbsource.getAccessionSeparator()); queryString.append(query); numq++; } // remove the extracted query string queries.removeElementAt(0); } // make the queries and process the response AlignmentI retrieved = null; try { if (Cache.log.isDebugEnabled()) { Cache.log.debug("Querying " + dbsource.getDbName() + " with : '" + queryString.toString() + "'"); } retrieved = dbsource.getSequenceRecords(queryString.toString()); } catch (Exception ex) { ex.printStackTrace(); } catch (OutOfMemoryError err) { new OOMWarning("retrieving database references (" + queryString.toString() + ")", err); } if (retrieved != null) { transferReferences(sdataset, dbsource.getDbSource(), retrieved, trimDsSeqs, warningMessages); } } else { // make some more strings for use as queries for (int i = 0; (seqIndex < dataset.length) && (i < 50); seqIndex++, i++) { SequenceI sequence = dataset[seqIndex]; DBRefEntry[] uprefs = DBRefUtils .selectRefs(sequence.getDBRefs(), new String[] { dbsource.getDbSource() }); // jalview.datamodel.DBRefSource.UNIPROT // }); // check for existing dbrefs to use if (uprefs != null && uprefs.length > 0) { for (int j = 0; j < uprefs.length; j++) { addSeqId(sequence, uprefs[j].getAccessionId()); queries.addElement( uprefs[j].getAccessionId().toUpperCase()); } } else { // generate queries from sequence ID string StringTokenizer st = new StringTokenizer(sequence.getName(), "|"); while (st.hasMoreTokens()) { String token = st.nextToken(); UPEntry[] presp = null; if (picrClient != null) { // resolve the string against PICR to recover valid IDs try { presp = picrClient.getUPIForAccession(token, null, picrClient.getMappedDatabaseNames(), null, true); } catch (Exception e) { System.err.println( "Exception with Picr for '" + token + "'\n"); e.printStackTrace(); } } if (presp != null && presp.length > 0) { for (int id = 0; id < presp.length; id++) { // construct sequences from response if sequences are // present, and do a transferReferences // otherwise transfer non sequence x-references directly. } System.out.println( "Validated ID against PICR... (for what its worth):" + token); addSeqId(sequence, token); queries.addElement(token.toUpperCase()); } else { // if () // System.out.println("Not querying source with // token="+token+"\n"); addSeqId(sequence, token); queries.addElement(token.toUpperCase()); } } } } } } // advance to next database db++; } // all databases have been queried if (!warningMessages.isEmpty()) { StringBuilder sb = new StringBuilder(warningMessages.size() * 30); sb.append(MessageManager .getString("label.your_sequences_have_been_verified")); for (String msg : warningMessages) { sb.append(msg).append(NEWLINE); } output.setText(sb.toString()); Desktop.addInternalFrame(output, MessageManager.getString("label.sequences_updated"), 600, 300); // The above is the dataset, we must now find out the index // of the viewed sequence } if (progressWindow != null) { progressWindow.setProgressBar( MessageManager.getString("label.dbref_search_completed"), startTime); } for (FetchFinishedListenerI listener : listeners) { listener.finished(); } running = false; } /** * Verify local sequences in seqRefs against the retrieved sequence database * records. Returns true if any sequence was modified as a result (start/end * changed and/or sequence enlarged), else false. * * @param sdataset * dataset sequences we are retrieving for * @param dbSource * database source we are retrieving from * @param retrievedAl * retrieved sequences as alignment * @param trimDatasetSeqs * if true, sequences will not be enlarged to match longer retrieved * sequences, only their start/end adjusted * @param warningMessages * a list of messages to add to */ boolean transferReferences(Vector sdataset, String dbSource, AlignmentI retrievedAl, boolean trimDatasetSeqs, List warningMessages) { // System.out.println("trimming ? " + trimDatasetSeqs); if (retrievedAl == null || retrievedAl.getHeight() == 0) { return false; } boolean modified = false; SequenceI[] retrieved = recoverDbSequences( retrievedAl.getSequencesArray()); SequenceI sequence = null; for (SequenceI retrievedSeq : retrieved) { // Work out which sequences this sequence matches, // taking into account all accessionIds and names in the file Vector sequenceMatches = new Vector<>(); // look for corresponding accession ids DBRefEntry[] entryRefs = DBRefUtils .selectRefs(retrievedSeq.getDBRefs(), new String[] { dbSource }); if (entryRefs == null) { System.err .println("Dud dbSource string ? no entryrefs selected for " + dbSource + " on " + retrievedSeq.getName()); continue; } for (int j = 0; j < entryRefs.length; j++) { String accessionId = entryRefs[j].getAccessionId(); // match up on accessionId if (seqRefs.containsKey(accessionId.toUpperCase())) { Vector seqs = seqRefs.get(accessionId); for (int jj = 0; jj < seqs.size(); jj++) { sequence = seqs.elementAt(jj); if (!sequenceMatches.contains(sequence)) { sequenceMatches.addElement(sequence); } } } } if (sequenceMatches.isEmpty()) { // failed to match directly on accessionId==query so just compare all // sequences to entry Enumeration e = seqRefs.keys(); while (e.hasMoreElements()) { Vector sqs = seqRefs.get(e.nextElement()); if (sqs != null && sqs.size() > 0) { Enumeration sqe = sqs.elements(); while (sqe.hasMoreElements()) { sequenceMatches.addElement(sqe.nextElement()); } } } } // look for corresponding names // this is uniprot specific ? // could be useful to extend this so we try to find any 'significant' // information in common between two sequence objects. /* * DBRefEntry[] entryRefs = * jalview.util.DBRefUtils.selectRefs(entry.getDBRef(), new String[] { * dbSource }); for (int j = 0; j < entry.getName().size(); j++) { String * name = entry.getName().elementAt(j).toString(); if * (seqRefs.containsKey(name)) { Vector seqs = (Vector) seqRefs.get(name); * for (int jj = 0; jj < seqs.size(); jj++) { sequence = (SequenceI) * seqs.elementAt(jj); if (!sequenceMatches.contains(sequence)) { * sequenceMatches.addElement(sequence); } } } } */ // sequenceMatches now contains the set of all sequences associated with // the returned db record final String retrievedSeqString = retrievedSeq.getSequenceAsString(); String entrySeq = retrievedSeqString.toUpperCase(); for (int m = 0; m < sequenceMatches.size(); m++) { sequence = sequenceMatches.elementAt(m); // only update start and end positions and shift features if there are // no existing references // TODO: test for legacy where uniprot or EMBL refs exist but no // mappings are made (but content matches retrieved set) boolean updateRefFrame = sequence.getDBRefs() == null || sequence.getDBRefs().length == 0; // TODO: // verify sequence against the entry sequence Mapping mp; final int sequenceStart = sequence.getStart(); boolean remoteEnclosesLocal = false; String nonGapped = AlignSeq .extractGaps("-. ", sequence.getSequenceAsString()) .toUpperCase(); int absStart = entrySeq.indexOf(nonGapped); if (absStart == -1) { // couldn't find local sequence in sequence from database, so check if // the database sequence is a subsequence of local sequence absStart = nonGapped.indexOf(entrySeq); if (absStart == -1) { // verification failed. couldn't find any relationship between // entrySeq and local sequence // messages suppressed as many-to-many matches are confusing // String msg = sequence.getName() // + " Sequence not 100% match with " // + retrievedSeq.getName(); // addWarningMessage(warningMessages, msg); continue; } /* * retrieved sequence is a proper subsequence of local sequence */ String msg = sequence.getName() + " has " + absStart + " prefixed residues compared to " + retrievedSeq.getName(); addWarningMessage(warningMessages, msg); /* * So create a mapping to the external entry from the matching region of * the local sequence, and leave local start/end untouched. */ mp = new Mapping(null, new int[] { sequenceStart + absStart, sequenceStart + absStart + entrySeq.length() - 1 }, new int[] { retrievedSeq.getStart(), retrievedSeq.getStart() + entrySeq.length() - 1 }, 1, 1); updateRefFrame = false; } else { /* * local sequence is a subsequence of (or matches) retrieved sequence */ remoteEnclosesLocal = true; mp = null; if (updateRefFrame) { /* * relocate existing sequence features by offset */ int startShift = absStart - sequenceStart + 1; if (startShift != 0) { modified |= sequence.getFeatures().shiftFeatures(1, startShift); } } } System.out.println("Adding dbrefs to " + sequence.getName() + " from " + dbSource + " sequence : " + retrievedSeq.getName()); sequence.transferAnnotation(retrievedSeq, mp); absStart += retrievedSeq.getStart(); int absEnd = absStart + nonGapped.length() - 1; if (!trimDatasetSeqs) { /* * update start position and/or expand to longer retrieved sequence */ if (!retrievedSeqString.equals(sequence.getSequenceAsString()) && remoteEnclosesLocal) { sequence.setSequence(retrievedSeqString); modified = true; addWarningMessage(warningMessages, "Sequence for " + sequence.getName() + " expanded from " + retrievedSeq.getName()); } if (sequence.getStart() != retrievedSeq.getStart()) { sequence.setStart(retrievedSeq.getStart()); modified = true; if (absStart != sequenceStart) { addWarningMessage(warningMessages, "Start/end position for " + sequence.getName() + " updated from " + retrievedSeq.getName()); } } } if (updateRefFrame) { // finally, update local sequence reference frame if we're allowed if (trimDatasetSeqs) { // just fix start/end if (sequence.getStart() != absStart || sequence.getEnd() != absEnd) { sequence.setStart(absStart); sequence.setEnd(absEnd); modified = true; addWarningMessage(warningMessages, "Start/end for " + sequence.getName() + " updated from " + retrievedSeq.getName()); } } // search for alignment sequences to update coordinate frame for for (int alsq = 0; alsq < alseqs.length; alsq++) { if (alseqs[alsq].getDatasetSequence() == sequence) { String ngAlsq = AlignSeq .extractGaps("-. ", alseqs[alsq].getSequenceAsString()) .toUpperCase(); int oldstrt = alseqs[alsq].getStart(); alseqs[alsq].setStart(sequence.getSequenceAsString() .toUpperCase().indexOf(ngAlsq) + sequence.getStart()); if (oldstrt != alseqs[alsq].getStart()) { alseqs[alsq].setEnd( ngAlsq.length() + alseqs[alsq].getStart() - 1); modified = true; } } } // TODO: search for all other references to this dataset sequence, and // update start/end // TODO: update all AlCodonMappings which involve this alignment // sequence (e.g. Q30167 cdna translation from exon2 product (vamsas // demo) } // and remove it from the rest // TODO: decide if we should remove annotated sequence from set sdataset.remove(sequence); // TODO: should we make a note of sequences that have received new DB // ids, so we can query all enabled DAS servers for them ? } } return modified; } /** * Adds the message to the list unless it already contains it * * @param messageList * @param msg */ void addWarningMessage(List messageList, String msg) { if (!messageList.contains(msg)) { messageList.add(msg); } } /** * loop thru and collect additional sequences in Map. * * @param sequencesArray * @return */ private SequenceI[] recoverDbSequences(SequenceI[] sequencesArray) { Vector nseq = new Vector<>(); for (int i = 0; sequencesArray != null && i < sequencesArray.length; i++) { nseq.addElement(sequencesArray[i]); DBRefEntry[] dbr = sequencesArray[i].getDBRefs(); Mapping map = null; for (int r = 0; (dbr != null) && r < dbr.length; r++) { if ((map = dbr[r].getMap()) != null) { if (map.getTo() != null && !nseq.contains(map.getTo())) { nseq.addElement(map.getTo()); } } } } if (nseq.size() > 0) { sequencesArray = new SequenceI[nseq.size()]; nseq.toArray(sequencesArray); } return sequencesArray; } }