X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Futil%2FDBRefUtils.java;h=32589f711df95d6c44896e01f258a8aac4caa707;hb=17e77c3f2949a0729322b4a8d907f3f34b6a9914;hp=3e0004e0db6f888f4d50a1fabed513ffc473a31d;hpb=a5a70dd1efb0b9fdb539dbf6016d97dd962f6d0a;p=jalview.git diff --git a/src/jalview/util/DBRefUtils.java b/src/jalview/util/DBRefUtils.java index 3e0004e..32589f7 100755 --- a/src/jalview/util/DBRefUtils.java +++ b/src/jalview/util/DBRefUtils.java @@ -1,39 +1,71 @@ /* - * Jalview - A Sequence Alignment Editor and Viewer - * Copyright (C) 2007 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 + * 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. - * - * 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. - * + * + * 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 this program; if not, write to the Free Software - * Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA + * along with Jalview. If not, see . + * The Jalview Authors are detailed in the 'AUTHORS' file. */ package jalview.util; -import java.util.*; +import jalview.datamodel.DBRefEntry; +import jalview.datamodel.DBRefSource; +import jalview.datamodel.PDBEntry; +import jalview.datamodel.SequenceI; -import jalview.datamodel.*; +import java.util.ArrayList; +import java.util.HashMap; +import java.util.Hashtable; +import java.util.List; +import java.util.Map; + +import com.stevesoft.pat.Regex; public class DBRefUtils { + private static Map canonicalSourceNameLookup = new HashMap(); + + private static Map dasCoordinateSystemsLookup = new HashMap(); + + static + { + // TODO load these from a resource file? + canonicalSourceNameLookup.put("uniprotkb/swiss-prot", + DBRefSource.UNIPROT); + canonicalSourceNameLookup.put("uniprotkb/trembl", DBRefSource.UNIPROT); + canonicalSourceNameLookup.put("pdb", DBRefSource.PDB); + + dasCoordinateSystemsLookup.put("pdbresnum", DBRefSource.PDB); + dasCoordinateSystemsLookup.put("uniprot", DBRefSource.UNIPROT); + dasCoordinateSystemsLookup.put("embl", DBRefSource.EMBL); + // dasCoordinateSystemsLookup.put("embl", DBRefSource.EMBLCDS); + } + /** * Utilities for handling DBRef objects and their collections. */ /** - * - * @param dbrefs Vector of DBRef objects to search - * @param sources String[] array of source DBRef IDs to retrieve + * + * @param dbrefs + * Vector of DBRef objects to search + * @param sources + * String[] array of source DBRef IDs to retrieve * @return Vector */ - public static DBRefEntry[] selectRefs(DBRefEntry[] dbrefs, String[] sources) + public static DBRefEntry[] selectRefs(DBRefEntry[] dbrefs, + String[] sources) { if (dbrefs == null) { @@ -43,8 +75,8 @@ public class DBRefUtils { return dbrefs; } - Hashtable srcs = new Hashtable(); - Vector res = new Vector(); + Map srcs = new HashMap(); + ArrayList res = new ArrayList(); for (int i = 0; i < sources.length; i++) { @@ -54,115 +86,390 @@ public class DBRefUtils { if (srcs.containsKey(dbrefs[i].getSource())) { - res.addElement(dbrefs[i]); + res.add(dbrefs[i]); } } if (res.size() > 0) { DBRefEntry[] reply = new DBRefEntry[res.size()]; - for (int i = 0; i < res.size(); i++) - { - reply[i] = (DBRefEntry) res.elementAt(i); - } - return reply; + return res.toArray(reply); } res = null; - // there are probable memory leaks in the hashtable! + // there are probable memory leaks in the hashtable! return null; } /** * isDasCoordinateSystem - * - * @param string String - * @param dBRefEntry DBRefEntry - * @return boolean true if Source DBRefEntry is compatible with DAS CoordinateSystem name + * + * @param string + * String + * @param dBRefEntry + * DBRefEntry + * @return boolean true if Source DBRefEntry is compatible with DAS + * CoordinateSystem name */ - public static Hashtable DasCoordinateSystemsLookup = null; + public static boolean isDasCoordinateSystem(String string, - DBRefEntry dBRefEntry) + DBRefEntry dBRefEntry) { - if (DasCoordinateSystemsLookup == null) - { // Initialise - DasCoordinateSystemsLookup = new Hashtable(); - DasCoordinateSystemsLookup.put("pdbresnum", - jalview.datamodel.DBRefSource.PDB); - DasCoordinateSystemsLookup.put("uniprot", - jalview.datamodel.DBRefSource.UNIPROT); - DasCoordinateSystemsLookup.put("EMBL", - jalview.datamodel.DBRefSource.EMBL); - //DasCoordinateSystemsLookup.put("EMBL", - // jalview.datamodel.DBRefSource.EMBLCDS); - } - - String coordsys = (String) DasCoordinateSystemsLookup.get(string. - toLowerCase()); - if (coordsys != null) - { - return coordsys.equals(dBRefEntry.getSource()); - } - return false; + if (string == null || dBRefEntry == null) + { + return false; + } + String coordsys = dasCoordinateSystemsLookup.get(string.toLowerCase()); + return coordsys == null ? false : coordsys.equals(dBRefEntry + .getSource()); } - public static Hashtable CanonicalSourceNameLookup=null; + /** - * look up source in an internal list of database reference sources - * and return the canonical jalview name for the source, or the original - * string if it has no canonical form. + * look up source in an internal list of database reference sources and return + * the canonical jalview name for the source, or the original string if it has + * no canonical form. + * * @param source - * @return canonical jalview source (one of jalview.datamodel.DBRefSource.*) or original source + * @return canonical jalview source (one of jalview.datamodel.DBRefSource.*) + * or original source */ public static String getCanonicalName(String source) { - if (CanonicalSourceNameLookup==null) { - CanonicalSourceNameLookup = new Hashtable(); - CanonicalSourceNameLookup.put("uniprotkb/swiss-prot", jalview.datamodel.DBRefSource.UNIPROT); - CanonicalSourceNameLookup.put("uniprotkb/trembl", jalview.datamodel.DBRefSource.UNIPROT); - CanonicalSourceNameLookup.put("pdb", jalview.datamodel.DBRefSource.PDB); - } - String canonical = (String) CanonicalSourceNameLookup.get(source. - toLowerCase()); - if (canonical==null) + if (source == null) { - return source; + return null; } - return canonical; + String canonical = canonicalSourceNameLookup.get(source.toLowerCase()); + return canonical == null ? source : canonical; } + /** - * find RefEntry corresponding to a particular pattern - * the equals method of each entry is used, from String attributes right down to Mapping attributes. - * @param ref Set of references to search - * @param entry pattern to collect - null any entry for wildcard match + * Returns an array of those references that match the given entry, or null if + * no matches. Currently uses a comparator which matches if + *
    + *
  • database sources are the same
  • + *
  • accession ids are the same
  • + *
  • both have no mapping, or the mappings are the same
  • + *
+ * + * @param ref + * Set of references to search + * @param entry + * pattern to match * @return */ public static DBRefEntry[] searchRefs(DBRefEntry[] ref, DBRefEntry entry) { - if (ref==null || entry==null) + return searchRefs(ref, entry, + matchDbAndIdAndEitherMapOrEquivalentMapList); + } + + /** + * Returns an array of those references that match the given entry, according + * to the given comparator. Returns null if no matches. + * + * @param refs + * an array of database references to search + * @param entry + * an entry to compare against + * @param comparator + * @return + */ + static DBRefEntry[] searchRefs(DBRefEntry[] refs, DBRefEntry entry, + DbRefComp comparator) + { + if (refs == null || entry == null) + { return null; - Vector rfs = new Vector(); - for (int i=0; i rfs = new ArrayList(); + for (int i = 0; i < refs.length; i++) + { + if (comparator.matches(entry, refs[i])) + { + rfs.add(refs[i]); + } + } + return rfs.size() == 0 ? null : rfs.toArray(new DBRefEntry[rfs.size()]); + } + + interface DbRefComp + { + public boolean matches(DBRefEntry refa, DBRefEntry refb); + } + + /** + * match on all non-null fields in refa + */ + public static DbRefComp matchNonNullonA = new DbRefComp() + { + public boolean matches(DBRefEntry refa, DBRefEntry refb) { - if (entry.getSource()==null || ref[i].getSource().equals(entry.getSource())) + if (refa.getSource() == null + || refb.getSource().equals(refa.getSource())) { - if (entry.getVersion()==null || ref[i].getVersion().equals(entry.getVersion())) + if (refa.getVersion() == null + || refb.getVersion().equals(refa.getVersion())) { - if (entry.getAccessionId()==null || ref[i].getAccessionId().equals(entry.getAccessionId())) + if (refa.getAccessionId() == null + || refb.getAccessionId().equals(refa.getAccessionId())) { - if (entry.getMap()==null || (ref[i].getMap()!=null && ref[i].getMap().equals(entry.getMap()))) + if (refa.getMap() == null + || (refb.getMap() != null && refb.getMap().equals( + refa.getMap()))) { - rfs.addElement(ref[i]); + return true; } } } } + return false; } - // TODO Auto-generated method stub - if (rfs.size()>0) + }; + + /** + * either field is null or field matches for all of source, version, accession + * id and map. + */ + public static DbRefComp matchEitherNonNull = new DbRefComp() + { + public boolean matches(DBRefEntry refa, DBRefEntry refb) { - DBRefEntry[] rf = new DBRefEntry[rfs.size()]; - rfs.copyInto(rf); - return rf; + if ((refa.getSource() == null || refb.getSource() == null) + || refb.getSource().equals(refa.getSource())) + { + if ((refa.getVersion() == null || refb.getVersion() == null) + || refb.getVersion().equals(refa.getVersion())) + { + if ((refa.getAccessionId() == null || refb.getAccessionId() == null) + || refb.getAccessionId().equals(refa.getAccessionId())) + { + if ((refa.getMap() == null || refb.getMap() == null) + || (refb.getMap() != null && refb.getMap().equals( + refa.getMap()))) + { + return true; + } + } + } + } + return false; } - return null; + }; + + /** + * accession ID and DB must be identical. Version is ignored. Map is either + * not defined or is a match (or is compatible?) + */ + public static DbRefComp matchDbAndIdAndEitherMap = new DbRefComp() + { + public boolean matches(DBRefEntry refa, DBRefEntry refb) + { + if (refa.getSource() != null && refb.getSource() != null + && refb.getSource().equals(refa.getSource())) + { + // We dont care about version + // if ((refa.getVersion()==null || refb.getVersion()==null) + // || refb.getVersion().equals(refa.getVersion())) + // { + if (refa.getAccessionId() != null && refb.getAccessionId() != null + || refb.getAccessionId().equals(refa.getAccessionId())) + { + if ((refa.getMap() == null || refb.getMap() == null) + || (refa.getMap() != null && refb.getMap() != null && refb + .getMap().equals(refa.getMap()))) + { + return true; + } + } + } + return false; + } + }; + + /** + * accession ID and DB must be identical. Version is ignored. No map on either + * or map but no maplist on either or maplist of map on a is the complement of + * maplist of map on b. + */ + public static DbRefComp matchDbAndIdAndComplementaryMapList = new DbRefComp() + { + public boolean matches(DBRefEntry refa, DBRefEntry refb) + { + if (refa.getSource() != null && refb.getSource() != null + && refb.getSource().equals(refa.getSource())) + { + // We dont care about version + // if ((refa.getVersion()==null || refb.getVersion()==null) + // || refb.getVersion().equals(refa.getVersion())) + // { + if (refa.getAccessionId() != null && refb.getAccessionId() != null + || refb.getAccessionId().equals(refa.getAccessionId())) + { + if ((refa.getMap() == null && refb.getMap() == null) + || (refa.getMap() != null && refb.getMap() != null)) + { + if ((refb.getMap().getMap() == null && refa.getMap().getMap() == null) + || (refb.getMap().getMap() != null + && refa.getMap().getMap() != null && refb + .getMap().getMap().getInverse() + .equals(refa.getMap().getMap()))) + { + return true; + } + } + } + } + return false; + } + }; + + /** + * accession ID and DB must be identical. Version is ignored. No map on both + * or or map but no maplist on either or maplist of map on a is equivalent to + * the maplist of map on b. + */ + public static DbRefComp matchDbAndIdAndEquivalentMapList = new DbRefComp() + { + public boolean matches(DBRefEntry refa, DBRefEntry refb) + { + if (refa.getSource() != null && refb.getSource() != null + && refb.getSource().equals(refa.getSource())) + { + // We dont care about version + // if ((refa.getVersion()==null || refb.getVersion()==null) + // || refb.getVersion().equals(refa.getVersion())) + // { + if (refa.getAccessionId() != null && refb.getAccessionId() != null + || refb.getAccessionId().equals(refa.getAccessionId())) + { + if (refa.getMap() == null && refb.getMap() == null) + { + return true; + } + if (refa.getMap() != null + && refb.getMap() != null + && ((refb.getMap().getMap() == null && refa.getMap() + .getMap() == null) || (refb.getMap().getMap() != null + && refa.getMap().getMap() != null && refb + .getMap().getMap().equals(refa.getMap().getMap())))) + { + return true; + } + } + } + return false; + } + }; + + /** + * accession ID and DB must be identical. Version is ignored. No map on either + * or map but no maplist on either or maplist of map on a is equivalent to the + * maplist of map on b. + */ + public static DbRefComp matchDbAndIdAndEitherMapOrEquivalentMapList = new DbRefComp() + { + public boolean matches(DBRefEntry refa, DBRefEntry refb) + { + // System.err.println("Comparing A: "+refa.getSrcAccString()+(refa.hasMap()?" has map.":".")); + // System.err.println("Comparing B: "+refb.getSrcAccString()+(refb.hasMap()?" has map.":".")); + if (refa.getSource() != null && refb.getSource() != null + && refb.getSource().equals(refa.getSource())) + { + // We dont care about version + // if ((refa.getVersion()==null || refb.getVersion()==null) + // || refb.getVersion().equals(refa.getVersion())) + // { + if (refa.getAccessionId() != null && refb.getAccessionId() != null + && refb.getAccessionId().equals(refa.getAccessionId())) + { + if (refa.getMap() == null || refb.getMap() == null) + { + return true; + } + if ((refa.getMap() != null && refb.getMap() != null) + && (refb.getMap().getMap() == null && refa.getMap() + .getMap() == null) + || (refb.getMap().getMap() != null + && refa.getMap().getMap() != null && (refb + .getMap().getMap().equals(refa.getMap().getMap())))) + { // getMap().getMap().containsEither(false,refa.getMap().getMap()) + return true; + } + } + } + return false; + } + }; + + /** + * Parses a DBRefEntry and adds it to the sequence, also a PDBEntry if the + * database is PDB. + *

+ * Used by file parsers to generate DBRefs from annotation within file (eg + * Stockholm) + * + * @param dbname + * @param version + * @param acn + * @param seq + * where to annotate with reference + * @return parsed version of entry that was added to seq (if any) + */ + public static DBRefEntry parseToDbRef(SequenceI seq, String dbname, + String version, String acn) + { + DBRefEntry ref = null; + if (dbname != null) + { + String locsrc = DBRefUtils.getCanonicalName(dbname); + if (locsrc.equals(DBRefSource.PDB)) + { + /* + * Check for PFAM style stockhom PDB accession id citation e.g. + * "1WRI A; 7-80;" + */ + Regex r = new com.stevesoft.pat.Regex( + "([0-9][0-9A-Za-z]{3})\\s*(.?)\\s*;\\s*([0-9]+)-([0-9]+)"); + if (r.search(acn.trim())) + { + String pdbid = r.stringMatched(1); + String chaincode = r.stringMatched(2); + if (chaincode == null) + { + chaincode = " "; + } + // String mapstart = r.stringMatched(3); + // String mapend = r.stringMatched(4); + if (chaincode.equals(" ")) + { + chaincode = "_"; + } + // construct pdb ref. + ref = new DBRefEntry(locsrc, version, pdbid + chaincode); + PDBEntry pdbr = new PDBEntry(); + pdbr.setId(pdbid); + pdbr.setType(PDBEntry.Type.PDB); + pdbr.setProperty(new Hashtable()); + pdbr.setChainCode(chaincode); + // pdbr.getProperty().put("CHAIN", chaincode); + seq.addPDBId(pdbr); + } + else + { + System.err.println("Malformed PDB DR line:" + acn); + } + } + else + { + // default: + ref = new DBRefEntry(locsrc, version, acn); + } + } + if (ref != null) + { + seq.addDBRef(ref); + } + return ref; } + }