// $Id: // forester -- software libraries and applications // for genomics and evolutionary biology research. // // Copyright (C) 2010 Christian M Zmasek // Copyright (C) 2010 Sanford-Burnham Medical Research Institute // All rights reserved // // This library is free software; you can redistribute it and/or // modify it under the terms of the GNU Lesser General Public // License as published by the Free Software Foundation; either // version 2.1 of the License, or (at your option) any later version. // // This library 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 // Lesser General Public License for more details. // // You should have received a copy of the GNU Lesser General Public // License along with this library; if not, write to the Free Software // Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA // // Contact: phylosoft @ gmail . com // WWW: https://sites.google.com/site/cmzmasek/home/software/forester package org.forester.ws.seqdb; import java.io.BufferedReader; import java.io.FileNotFoundException; import java.io.IOException; import java.io.InputStreamReader; import java.io.UnsupportedEncodingException; import java.net.URL; import java.net.URLConnection; import java.net.URLEncoder; import java.util.ArrayList; import java.util.List; import java.util.SortedSet; import java.util.TreeSet; import org.forester.go.GoTerm; import org.forester.io.parsers.phyloxml.PhyloXmlDataFormatException; import org.forester.phylogeny.Phylogeny; import org.forester.phylogeny.PhylogenyNode; import org.forester.phylogeny.data.Accession; import org.forester.phylogeny.data.Accession.Source; import org.forester.phylogeny.data.Annotation; import org.forester.phylogeny.data.Identifier; import org.forester.phylogeny.data.Sequence; import org.forester.phylogeny.data.Taxonomy; import org.forester.phylogeny.iterators.PhylogenyNodeIterator; import org.forester.sequence.MolecularSequence.TYPE; import org.forester.util.ForesterUtil; import org.forester.util.SequenceAccessionTools; public final class SequenceDbWsTools { public final static String BASE_UNIPROT_URL = "http://www.uniprot.org/"; public final static int DEFAULT_LINES_TO_RETURN = 4000; public final static String EMBL_DBS_REFSEQ_N = "refseqn"; public final static String EMBL_DBS_REFSEQ_P = "refseqp"; public final static String EMBL_GENBANK = "http://www.ebi.ac.uk/Tools/dbfetch/dbfetch?db=GENBANK&style=raw&id="; public final static String EMBL_REFSEQ = "http://www.ebi.ac.uk/Tools/dbfetch/dbfetch?db=REFSEQ&style=raw&id="; public final static String EMBL_EMBL = "http://www.ebi.ac.uk/Tools/dbfetch/dbfetch?db=EMBL&style=raw&id="; private final static boolean DEBUG = true; private final static String URL_ENC = "UTF-8"; private final static int SLEEP = 200; public static List getTaxonomiesFromCommonNameStrict( final String cn, final int max_taxonomies_return ) throws IOException { final List taxonomies = getTaxonomiesFromCommonName( cn, max_taxonomies_return ); if ( ( taxonomies != null ) && ( taxonomies.size() > 0 ) ) { final List filtered_taxonomies = new ArrayList(); for( final UniProtTaxonomy taxonomy : taxonomies ) { if ( taxonomy.getCommonName().equalsIgnoreCase( cn ) ) { filtered_taxonomies.add( taxonomy ); } } return filtered_taxonomies; } return null; } public static List getTaxonomiesFromId( final String id, final int max_taxonomies_return ) throws IOException { final List result = getTaxonomyStringFromId( id, max_taxonomies_return ); if ( result.size() > 0 ) { return parseUniProtTaxonomy( result ); } return null; } /** * Does not return "sub-types". * For example, for "Mus musculus" only returns "Mus musculus" * and not "Mus musculus", "Mus musculus bactrianus", ... * */ public static List getTaxonomiesFromScientificNameStrict( final String sn, final int max_taxonomies_return ) throws IOException { final List taxonomies = getTaxonomiesFromScientificName( sn, max_taxonomies_return ); if ( ( taxonomies != null ) && ( taxonomies.size() > 0 ) ) { final List filtered_taxonomies = new ArrayList(); for( final UniProtTaxonomy taxonomy : taxonomies ) { if ( taxonomy.getScientificName().equalsIgnoreCase( sn ) ) { filtered_taxonomies.add( taxonomy ); } } return filtered_taxonomies; } return null; } public static List getTaxonomiesFromTaxonomyCode( final String code, final int max_taxonomies_return ) throws IOException { final String my_code = new String( code ); final List result = getTaxonomyStringFromTaxonomyCode( my_code, max_taxonomies_return ); if ( result.size() > 0 ) { return parseUniProtTaxonomy( result ); } return null; } public static SequenceDatabaseEntry obtainEmblEntry( final Accession acc ) throws IOException { return obtainEmblEntry( acc, DEFAULT_LINES_TO_RETURN ); } public static SequenceDatabaseEntry obtainEmblEntry( final Accession acc, final int max_lines_to_return ) throws IOException { final List lines = queryEmblDb( acc, max_lines_to_return ); return EbiDbEntry.createInstanceFromPlainTextForRefSeq( lines ); } public static SequenceDatabaseEntry obtainEntry( final String acc_str ) throws IOException { if ( ForesterUtil.isEmpty( acc_str ) ) { throw new IllegalArgumentException( "cannot not extract sequence db accessor from null or empty string" ); } final Accession acc = SequenceAccessionTools.parseAccessorFromString( acc_str ); if ( acc == null ) { throw new IllegalArgumentException( "could not extract acceptable sequence db accessor from \"" + acc_str + "\"" ); } if ( acc.getSource().equals( Source.REFSEQ.toString() ) || acc.getSource().equals( Source.EMBL.toString() ) || acc.getSource().equals( Source.NCBI.toString() ) ) { return obtainEmblEntry( acc, DEFAULT_LINES_TO_RETURN ); } else if ( acc.getSource().equals( Source.UNIPROT.toString() ) ) { return obtainUniProtEntry( acc.getValue(), DEFAULT_LINES_TO_RETURN ); } else { throw new IllegalArgumentException( "don't know how to handle request for source \"" + acc.getSource() + "\"" ); } } public static SequenceDatabaseEntry obtainRefSeqEntryFromEmbl( final Accession acc ) throws IOException { return obtainRefSeqEntryFromEmbl( acc, DEFAULT_LINES_TO_RETURN ); } public static SequenceDatabaseEntry obtainRefSeqEntryFromEmbl( final Accession acc, final int max_lines_to_return ) throws IOException { final List lines = queryEmblDbForRefSeqEntry( acc, max_lines_to_return ); return EbiDbEntry.createInstanceFromPlainTextForRefSeq( lines ); } public final static Accession obtainSeqAccession( final PhylogenyNode node ) { Accession acc = SequenceAccessionTools.obtainFromSeqAccession( node ); if ( !isAccessionAcceptable( acc ) ) { acc = SequenceAccessionTools.obtainAccessorFromDataFields( node ); } return acc; } public final static void obtainSeqInformation( final boolean allow_to_set_taxonomic_data, final int lines_to_return, final SortedSet not_found, final PhylogenyNode node ) throws IOException { final Accession acc = obtainSeqAccession( node ); if ( !isAccessionAcceptable( acc ) ) { if ( node.isExternal() || !node.isEmpty() ) { not_found.add( node.toString() ); } } else { addDataFromDbToNode( allow_to_set_taxonomic_data, lines_to_return, not_found, node, acc ); } } public final static void obtainSeqInformation( final boolean allow_to_set_taxonomic_data, final SortedSet not_found, final PhylogenyNode node ) throws IOException { obtainSeqInformation( allow_to_set_taxonomic_data, DEFAULT_LINES_TO_RETURN, not_found, node ); } public final static SortedSet obtainSeqInformation( final Phylogeny phy, final boolean ext_nodes_only, final boolean allow_to_set_taxonomic_data, final int lines_to_return ) throws IOException { final SortedSet not_found = new TreeSet(); for( final PhylogenyNodeIterator iter = phy.iteratorPostorder(); iter.hasNext(); ) { final PhylogenyNode node = iter.next(); if ( node.isExternal() || !ext_nodes_only ) { obtainSeqInformation( allow_to_set_taxonomic_data, lines_to_return, not_found, node ); } } return not_found; } public final static void obtainSeqInformation( final PhylogenyNode node ) throws IOException { obtainSeqInformation( true, DEFAULT_LINES_TO_RETURN, new TreeSet(), node ); } public static SequenceDatabaseEntry obtainUniProtEntry( final String query ) throws IOException { return obtainUniProtEntry( query, DEFAULT_LINES_TO_RETURN ); } public static SequenceDatabaseEntry obtainUniProtEntry( final String query, final int max_lines_to_return ) throws IOException { final List lines = queryUniprot( "uniprot/" + query + ".txt", max_lines_to_return ); return UniProtEntry.createInstanceFromPlainText( lines ); } public static List queryDb( final String query, int max_lines_to_return, final String base_url ) throws IOException { if ( ForesterUtil.isEmpty( query ) ) { throw new IllegalArgumentException( "illegal attempt to use empty query " ); } if ( max_lines_to_return < 1 ) { max_lines_to_return = 1; } final URL url = new URL( base_url + query ); if ( DEBUG ) { System.out.println( "url: " + url.toString() ); } final URLConnection urlc = url.openConnection(); final BufferedReader in = new BufferedReader( new InputStreamReader( urlc.getInputStream() ) ); String line; final List result = new ArrayList(); while ( ( line = in.readLine() ) != null ) { if ( DEBUG ) { System.out.println( line ); } result.add( line ); if ( result.size() > max_lines_to_return ) { break; } } in.close(); try { // To prevent accessing online dbs in too quick succession. Thread.sleep( SLEEP ); } catch ( final InterruptedException e ) { e.printStackTrace(); } return result; } public static List queryEmblDb( final Accession acc, final int max_lines_to_return ) throws IOException { final StringBuilder url_sb = new StringBuilder(); // url_sb.append( BASE_EMBL_DB_URL ); System.out.println( "source: " + acc.getSource() ); if ( acc.getSource().equals( Source.NCBI.toString() ) ) { url_sb.append( EMBL_GENBANK ); //url_sb.append( '/' ); } else if ( acc.getSource().equals( Source.REFSEQ.toString() ) ) { url_sb.append( EMBL_REFSEQ ); } else if ( acc.getSource().equals( Source.EMBL.toString() ) ) { url_sb.append( EMBL_EMBL ); } else { throw new IllegalArgumentException( "unable to handle source: " + acc.getSource() ); } return queryDb( acc.getValue(), max_lines_to_return, url_sb.toString() ); } public static List queryEmblDbForRefSeqEntry( final Accession id, final int max_lines_to_return ) throws IOException { final StringBuilder url_sb = new StringBuilder(); url_sb.append( EMBL_REFSEQ ); return queryDb( id.getValue(), max_lines_to_return, url_sb.toString() ); } public static List queryUniprot( final String query, final int max_lines_to_return ) throws IOException { return queryDb( query, max_lines_to_return, BASE_UNIPROT_URL ); } final static String extractFrom( final String target, final String a ) { final int i_a = target.indexOf( a ); return target.substring( i_a + a.length() ).trim(); } final static String extractFromTo( final String target, final String a, final String b ) { final int i_a = target.indexOf( a ); final int i_b = target.indexOf( b ); if ( ( i_a < 0 ) || ( i_b < i_a ) ) { throw new IllegalArgumentException( "attempt to extract from \"" + target + "\" between \"" + a + "\" and \"" + b + "\"" ); } return target.substring( i_a + a.length(), i_b ).trim(); } final static String extractTo( final String target, final String b ) { final int i_b = target.indexOf( b ); return target.substring( 0, i_b ).trim(); } private static void addDataFromDbToNode( final boolean allow_to_set_taxonomic_data, final int lines_to_return, final SortedSet not_found, final PhylogenyNode node, final Accession acc ) throws IOException { SequenceDatabaseEntry db_entry = null; final String query = acc.getValue(); if ( acc.getSource().equals( Source.UNIPROT.toString() ) ) { if ( DEBUG ) { System.out.println( "uniprot: " + query ); } try { db_entry = obtainUniProtEntry( query, lines_to_return ); } catch ( final FileNotFoundException e ) { // Eat this, and move to next. } } else if ( acc.getSource().equals( Source.REFSEQ.toString() ) ) { if ( DEBUG ) { System.out.println( "refseq: " + query ); } try { db_entry = obtainRefSeqEntryFromEmbl( new Accession( query ), lines_to_return ); } catch ( final FileNotFoundException e ) { // Eat this, and move to next. } } else if ( acc.getSource().equals( Source.EMBL.toString() ) || acc.getSource().equals( Source.NCBI.toString() ) || acc.getSource().equals( Source.EMBL.toString() ) ) { if ( DEBUG ) { System.out.println( acc.toString() ); } try { db_entry = obtainEmblEntry( acc, lines_to_return ); } catch ( final FileNotFoundException e ) { // Eat this, and move to next. } } else if ( acc.getSource().equals( Source.GI.toString() ) ) { if ( DEBUG ) { System.out.println( "gi: " + query ); } try { db_entry = obtainRefSeqEntryFromEmbl( new Accession( query ), lines_to_return ); } catch ( final FileNotFoundException e ) { // Eat this, and move to next. } } if ( ( db_entry != null ) && !db_entry.isEmpty() ) { final Sequence seq = node.getNodeData().isHasSequence() ? node.getNodeData().getSequence() : new Sequence(); if ( !ForesterUtil.isEmpty( db_entry.getAccession() ) ) { seq.setAccession( new Accession( db_entry.getAccession(), acc.getSource() ) ); } if ( !ForesterUtil.isEmpty( db_entry.getSequenceName() ) ) { seq.setName( db_entry.getSequenceName() ); } if ( !ForesterUtil.isEmpty( db_entry.getGeneName() ) ) { seq.setGeneName( db_entry.getGeneName() ); } if ( !ForesterUtil.isEmpty( db_entry.getSequenceSymbol() ) ) { try { seq.setSymbol( db_entry.getSequenceSymbol() ); } catch ( final PhyloXmlDataFormatException e ) { // Eat this exception. } } if ( ( db_entry.getMolecularSequence() != null ) && !ForesterUtil.isEmpty( db_entry.getMolecularSequence().getMolecularSequenceAsString() ) && seq.getMolecularSequence().isEmpty() ) { seq.setMolecularSequence( db_entry.getMolecularSequence().getMolecularSequenceAsString() ); seq.setMolecularSequenceAligned( false ); if ( db_entry.getMolecularSequence().getType() == TYPE.AA ) { seq.setType( "protein" ); } else if ( db_entry.getMolecularSequence().getType() == TYPE.DNA ) { seq.setType( "dna" ); } else if ( db_entry.getMolecularSequence().getType() == TYPE.RNA ) { seq.setType( "rna" ); } } if ( ( db_entry.getGoTerms() != null ) && !db_entry.getGoTerms().isEmpty() ) { for( final GoTerm go : db_entry.getGoTerms() ) { final Annotation ann = new Annotation( go.getGoId().getId() ); ann.setDesc( go.getName() ); seq.addAnnotation( ann ); } } if ( ( db_entry.getCrossReferences() != null ) && !db_entry.getCrossReferences().isEmpty() ) { for( final Accession x : db_entry.getCrossReferences() ) { seq.addCrossReference( x ); } } if ( !ForesterUtil.isEmpty( db_entry.getChromosome() ) && !ForesterUtil.isEmpty( db_entry.getMap() ) ) { seq.setLocation( "chr " + db_entry.getChromosome() + ", " + db_entry.getMap() ); } else if ( !ForesterUtil.isEmpty( db_entry.getChromosome() ) ) { seq.setLocation( "chr " + db_entry.getChromosome() ); } else if ( !ForesterUtil.isEmpty( db_entry.getMap() ) ) { seq.setLocation( db_entry.getMap() ); } final Taxonomy tax = node.getNodeData().isHasTaxonomy() ? node.getNodeData().getTaxonomy() : new Taxonomy(); if ( !ForesterUtil.isEmpty( db_entry.getTaxonomyScientificName() ) ) { tax.setScientificName( db_entry.getTaxonomyScientificName() ); } if ( allow_to_set_taxonomic_data && !ForesterUtil.isEmpty( db_entry.getTaxonomyIdentifier() ) ) { tax.setIdentifier( new Identifier( db_entry.getTaxonomyIdentifier(), "uniprot" ) ); } node.getNodeData().setTaxonomy( tax ); node.getNodeData().setSequence( seq ); } else { if ( node.isExternal() || !node.isEmpty() ) { not_found.add( node.toString() ); } } try { Thread.sleep( SLEEP ); } catch ( final InterruptedException ie ) { } } private static String encode( final String str ) throws UnsupportedEncodingException { return URLEncoder.encode( str.trim(), URL_ENC ); } private static List getTaxonomiesFromCommonName( final String cn, final int max_taxonomies_return ) throws IOException { final List result = getTaxonomyStringFromCommonName( cn, max_taxonomies_return ); if ( result.size() > 0 ) { return parseUniProtTaxonomy( result ); } return null; } private static List getTaxonomiesFromScientificName( final String sn, final int max_taxonomies_return ) throws IOException { final List result = getTaxonomyStringFromScientificName( sn, max_taxonomies_return ); if ( result.size() > 0 ) { return parseUniProtTaxonomy( result ); } return null; } private static List getTaxonomyStringFromCommonName( final String cn, final int max_lines_to_return ) throws IOException { return queryUniprot( "taxonomy/?query=common%3a%22" + encode( cn ) + "%22&format=tab", max_lines_to_return ); } private static List getTaxonomyStringFromId( final String id, final int max_lines_to_return ) throws IOException { return queryUniprot( "taxonomy/?query=id%3a%22" + encode( id ) + "%22&format=tab", max_lines_to_return ); } private static List getTaxonomyStringFromScientificName( final String sn, final int max_lines_to_return ) throws IOException { return queryUniprot( "taxonomy/?query=scientific%3a%22" + encode( sn ) + "%22&format=tab", max_lines_to_return ); } private static List getTaxonomyStringFromTaxonomyCode( final String code, final int max_lines_to_return ) throws IOException { return queryUniprot( "taxonomy/?query=mnemonic%3a%22" + encode( code ) + "%22&format=tab", max_lines_to_return ); } private final static boolean isAccessionAcceptable( final Accession acc ) { return ( !( ( acc == null ) || ForesterUtil.isEmpty( acc.getSource() ) || ForesterUtil.isEmpty( acc.getValue() ) || ( ( acc .getSource().equals( Source.UNIPROT.toString() ) ) && ( acc.getSource().toString().equals( Source.EMBL.toString() ) ) && ( acc.getSource().toString() .equals( Source.REFSEQ.toString() ) ) ) ) ); } private static List parseUniProtTaxonomy( final List result ) throws IOException { final List taxonomies = new ArrayList(); for( final String line : result ) { if ( ForesterUtil.isEmpty( line ) ) { // Ignore empty lines. } else if ( line.startsWith( "Taxon" ) ) { final String[] items = line.split( "\t" ); if ( !( items[ 1 ].equalsIgnoreCase( "Mnemonic" ) && items[ 2 ].equalsIgnoreCase( "Scientific name" ) && items[ 3 ].equalsIgnoreCase( "Common name" ) && items[ 4 ].equalsIgnoreCase( "Synonym" ) && items[ 5 ].equalsIgnoreCase( "Other Names" ) && items[ 6 ].equalsIgnoreCase( "Reviewed" ) && items[ 7 ].equalsIgnoreCase( "Rank" ) && items[ 8 ].equalsIgnoreCase( "Lineage" ) ) ) { throw new IOException( "Unreconized UniProt Taxonomy format: " + line ); } } else { if ( line.split( "\t" ).length > 4 ) { taxonomies.add( new UniProtTaxonomy( line ) ); } } } return taxonomies; } }