X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;ds=inline;f=src%2Fjalview%2Fws%2Fdbsources%2FUniprot.java;h=7ecd32413f7e862d6bdadaa83bc3cb679ae40349;hb=dad8955628659a3478493cc5121311030df20426;hp=0a252b1a0a0795674c5e7805c75af62f5c54475e;hpb=409fd993c6e32e999b24082aae107a043a590f8f;p=jalview.git diff --git a/src/jalview/ws/dbsources/Uniprot.java b/src/jalview/ws/dbsources/Uniprot.java index 0a252b1..7ecd324 100644 --- a/src/jalview/ws/dbsources/Uniprot.java +++ b/src/jalview/ws/dbsources/Uniprot.java @@ -20,14 +20,17 @@ */ package jalview.ws.dbsources; +import jalview.datamodel.Alignment; import jalview.datamodel.AlignmentI; import jalview.datamodel.DBRefEntry; import jalview.datamodel.DBRefSource; import jalview.datamodel.PDBEntry; +import jalview.datamodel.Sequence; import jalview.datamodel.SequenceFeature; import jalview.datamodel.SequenceI; import jalview.datamodel.UniprotEntry; import jalview.datamodel.UniprotFile; +import jalview.util.DBRefUtils; import jalview.ws.ebi.EBIFetchClient; import jalview.ws.seqfetcher.DbSourceProxyImpl; @@ -35,6 +38,7 @@ import java.io.File; import java.io.FileReader; import java.io.Reader; import java.net.URL; +import java.util.ArrayList; import java.util.Vector; import org.exolab.castor.mapping.Mapping; @@ -48,11 +52,11 @@ import com.stevesoft.pat.Regex; */ public class Uniprot extends DbSourceProxyImpl { - private static final String BAR_DELIMITER = "|"; - private static final String NEWLINE = "\n"; - + /* + * Castor mapping loaded from uniprot_mapping.xml + */ private static Mapping map; /** @@ -71,7 +75,7 @@ public class Uniprot extends DbSourceProxyImpl @Override public String getAccessionSeparator() { - return null; // ";"; + return null; } /* @@ -162,37 +166,18 @@ public class Uniprot extends DbSourceProxyImpl // uniprotxml parameter required since december 2007 // uniprotkb dbname changed introduced december 2008 File file = ebi.fetchDataAsFile("uniprotkb:" + queries, "uniprotxml", - null); + ".xml"); Vector entries = getUniprotEntries(new FileReader(file)); if (entries != null) { - /* - * If Castor binding included sequence@length, we could guesstimate the - * size of buffer to hold the alignment - */ - StringBuffer result = new StringBuffer(128); - // First, make the new sequences + ArrayList seqs = new ArrayList(); for (UniprotEntry entry : entries) { - StringBuilder name = constructSequenceFastaHeader(entry); - - result.append(name).append(NEWLINE) - .append(entry.getUniprotSequence().getContent()) - .append(NEWLINE); + seqs.add(uniprotEntryToSequenceI(entry)); } + al = new Alignment(seqs.toArray(new SequenceI[0])); - // Then read in the features and apply them to the dataset - al = parseResult(result.toString()); - if (al != null) - { - // Decorate the alignment with database entries. - addUniprotXrefs(al, entries); - } - else - { - results = result; - } } stopQuery(); return al; @@ -204,99 +189,143 @@ public class Uniprot extends DbSourceProxyImpl } /** - * Construct a Fasta-format sequence header by concatenating the source, - * accession id(s) and name(s), delimited by '|', plus any protein names, now - * with space rather than bar delimiter * * @param entry - * @return + * UniprotEntry + * @return SequenceI instance created from the UniprotEntry instance */ - public static StringBuilder constructSequenceFastaHeader( - UniprotEntry entry) - { - StringBuilder name = new StringBuilder(32); - name.append(">UniProt/Swiss-Prot"); + public SequenceI uniprotEntryToSequenceI(UniprotEntry entry){ + String id = getUniprotEntryId(entry); + SequenceI sequence = new Sequence(id, entry.getUniprotSequence() + .getContent()); + sequence.setDescription(getUniprotEntryDescription(entry)); + + final String dbVersion = getDbVersion(); + ArrayList dbRefs = new ArrayList(); for (String accessionId : entry.getAccession()) { - name.append(BAR_DELIMITER); - name.append(accessionId); + DBRefEntry dbRef = new DBRefEntry(DBRefSource.UNIPROT, dbVersion, + accessionId); + + // mark dbRef as a primary reference for this sequence + dbRefs.add(dbRef); } - for (String n : entry.getName()) + + Vector onlyPdbEntries = new Vector(); + for (PDBEntry pdb : entry.getDbReference()) { - name.append(BAR_DELIMITER); - name.append(n); + DBRefEntry dbr = new DBRefEntry(); + dbr.setSource(pdb.getType()); + dbr.setAccessionId(pdb.getId()); + dbr.setVersion(DBRefSource.UNIPROT + ":" + dbVersion); + dbRefs.add(dbr); + if ("PDB".equals(pdb.getType())) + { + onlyPdbEntries.addElement(pdb); + } + if ("EMBL".equals(pdb.getType())) + { + // look for a CDS reference and add it, too. + String cdsId = (String) pdb.getProperty() + .get("protein sequence ID"); + if (cdsId != null && cdsId.trim().length() > 0) + { + dbr = new DBRefEntry(DBRefSource.EMBLCDS, DBRefSource.UNIPROT + + ":" + + dbVersion, cdsId.trim()); + dbRefs.add(dbr); + } + } + if (false) // "Ensembl".equals(pdb.getType())) + { + /*UniprotXML + * + * + * + * + * + */ + String cdsId = (String) pdb.getProperty() + .get("protein sequence ID"); + if (cdsId != null && cdsId.trim().length() > 0) + { + // Only add the product ID + dbRefs.remove(dbr); + dbr = new DBRefEntry(DBRefSource.ENSEMBL, DBRefSource.UNIPROT + + ":" + dbVersion, cdsId.trim()); + dbRefs.add(dbr); + + } + } + } - if (entry.getProtein() != null && entry.getProtein().getName() != null) + sequence.setPDBId(onlyPdbEntries); + if (entry.getFeature() != null) { - for (String nm : entry.getProtein().getName()) + for (SequenceFeature sf : entry.getFeature()) { - name.append(" ").append(nm); + sf.setFeatureGroup("Uniprot"); + sequence.addSequenceFeature(sf); } } - return name; + // we use setDBRefs to assign refs quickly. + sequence.setDBRefs(dbRefs.toArray(new DBRefEntry[0])); + // need to use ensurePrimaries to reify any refs that should become primary + // refs + DBRefUtils.ensurePrimaries(sequence); // promote any direct refs to primary + // source dbs + return sequence; } /** - * add an ordered set of UniprotEntry objects to an ordered set of seuqences. * - * @param al - * - a sequence of n sequences - * @param entries - * a list of n uniprot entries to be analysed. + * @param entry + * UniportEntry + * @return protein name(s) delimited by a white space character */ - public void addUniprotXrefs(AlignmentI al, Vector entries) + public static String getUniprotEntryDescription(UniprotEntry entry) { - final String dbVersion = getDbVersion(); - - for (int i = 0; i < entries.size(); i++) + StringBuilder desc = new StringBuilder(32); + if (entry.getProtein() != null && entry.getProtein().getName() != null) { - UniprotEntry entry = entries.elementAt(i); - Vector onlyPdbEntries = new Vector(); - Vector dbxrefs = new Vector(); - - for (PDBEntry pdb : entry.getDbReference()) + boolean first = true; + for (String nm : entry.getProtein().getName()) { - DBRefEntry dbr = new DBRefEntry(); - dbr.setSource(pdb.getType()); - dbr.setAccessionId(pdb.getId()); - dbr.setVersion(DBRefSource.UNIPROT + ":" + dbVersion); - dbxrefs.addElement(dbr); - if ("PDB".equals(pdb.getType())) + if (!first) { - onlyPdbEntries.addElement(pdb); + desc.append(" "); } + first = false; + desc.append(nm); } + } + return desc.toString(); + } - SequenceI sq = al.getSequenceAt(i); - while (sq.getDatasetSequence() != null) - { - sq = sq.getDatasetSequence(); - } - - for (String accessionId : entry.getAccession()) - { - /* - * add as uniprot whether retrieved from uniprot or uniprot_name - */ - sq.addDBRef(new DBRefEntry(DBRefSource.UNIPROT, dbVersion, - accessionId)); - } - - for (DBRefEntry dbRef : dbxrefs) - { - sq.addDBRef(dbRef); - } - sq.setPDBId(onlyPdbEntries); - if (entry.getFeature() != null) - { - for (SequenceFeature sf : entry.getFeature()) - { - sf.setFeatureGroup("Uniprot"); - sq.addSequenceFeature(sf); - } - } + /** + * + * @param entry + * UniportEntry + * @return The accession id(s) and name(s) delimited by '|'. + */ + public static String getUniprotEntryId(UniprotEntry entry) + { + StringBuilder name = new StringBuilder(32); + // name.append("UniProt/Swiss-Prot"); + // use 'canonicalised' name for optimal id matching + name.append(DBRefSource.UNIPROT); + for (String accessionId : entry.getAccession()) + { + name.append(BAR_DELIMITER); + name.append(accessionId); } + for (String n : entry.getName()) + { + name.append(BAR_DELIMITER); + name.append(n); + } + return name.toString(); } /* @@ -332,13 +361,4 @@ public class Uniprot extends DbSourceProxyImpl { return 0; } - - @Override - public int getMaximumQueryCount() - { - // relocated this commented out code... - // addDbSourceProperty(DBRefSource.MULTIACC, new Integer(50)); - // return 50; - return super.getMaximumQueryCount(); - } }