X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fio%2FStockholmFile.java;h=76b83ba5122ed3873dd5a65982ff5bfd8f5e681a;hb=ab43013b7e357b84b4abade0dba949668dfb2a0e;hp=5ff3551315971255d28c24a13c1b062be01924bb;hpb=59d682209891099d46b960509907c79e3fb276fe;p=jalview.git diff --git a/src/jalview/io/StockholmFile.java b/src/jalview/io/StockholmFile.java index 5ff3551..76b83ba 100644 --- a/src/jalview/io/StockholmFile.java +++ b/src/jalview/io/StockholmFile.java @@ -1,31 +1,56 @@ /* - * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8) - * Copyright (C) 2012 J Procter, AM Waterhouse, LM Lui, J Engelhardt, G Barton, M Clamp, S Searle + * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.2b1) + * Copyright (C) 2014 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. + * 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 . + * 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. */ /* * This extension was written by Benjamin Schuster-Boeckler at sanger.ac.uk */ package jalview.io; -import java.io.*; -import java.util.*; +import jalview.datamodel.AlignmentAnnotation; +import jalview.datamodel.AlignmentI; +import jalview.datamodel.Annotation; +import jalview.datamodel.DBRefEntry; +import jalview.datamodel.Mapping; +import jalview.datamodel.Sequence; +import jalview.datamodel.SequenceFeature; +import jalview.datamodel.SequenceI; +import jalview.util.Format; +import jalview.util.MessageManager; -import com.stevesoft.pat.*; -import jalview.datamodel.*; -import jalview.analysis.Rna; +import java.io.BufferedReader; +import java.io.FileReader; +import java.io.IOException; +import java.util.ArrayList; +import java.util.Enumeration; +import java.util.Hashtable; +import java.util.LinkedHashMap; +import java.util.List; +import java.util.Map; +import java.util.StringTokenizer; +import java.util.Vector; + +import com.stevesoft.pat.Regex; + +import fr.orsay.lri.varna.exceptions.ExceptionUnmatchedClosingParentheses; +import fr.orsay.lri.varna.factories.RNAFactory; +import fr.orsay.lri.varna.models.rna.RNA; // import org.apache.log4j.*; @@ -38,17 +63,34 @@ import jalview.analysis.Rna; * into Jalview's local representation. * * @author bsb at sanger.ac.uk + * @author Natasha Shersnev (Dundee, UK) (Stockholm file writer) + * @author Lauren Lui (UCSC, USA) (RNA secondary structure annotation import as + * stockholm) + * @author Anne Menard (Paris, FR) (VARNA parsing of Stockholm file data) * @version 0.3 + jalview mods * */ public class StockholmFile extends AlignFile { // static Logger logger = Logger.getLogger("jalview.io.StockholmFile"); + protected ArrayList result; + + StringBuffer out; // output buffer + + AlignmentI al; public StockholmFile() { } + /** + * Creates a new StockholmFile object for output. + */ + public StockholmFile(AlignmentI al) + { + this.al = al; + } + public StockholmFile(String inFile, String type) throws IOException { super(inFile, type); @@ -65,6 +107,71 @@ public class StockholmFile extends AlignFile } /** + * Parse a file in Stockholm format into Jalview's data model using VARNA + * + * @throws IOException + * If there is an error with the input file + */ + public void parse_with_VARNA(java.io.File inFile) throws IOException + { + FileReader fr = null; + fr = new FileReader(inFile); + + BufferedReader r = new BufferedReader(fr); + result = null; + try + { + result = RNAFactory.loadSecStrStockholm(r); + } catch (ExceptionUnmatchedClosingParentheses umcp) + { + errormessage = "Unmatched parentheses in annotation. Aborting (" + + umcp.getMessage() + ")"; + throw new IOException(umcp); + } + // DEBUG System.out.println("this is the secondary scructure:" + // +result.size()); + SequenceI[] seqs = new SequenceI[result.size()]; + String id = null; + for (int i = 0; i < result.size(); i++) + { + // DEBUG System.err.println("Processing i'th sequence in Stockholm file") + RNA current = result.get(i); + + String seq = current.getSeq(); + String rna = current.getStructDBN(true); + // DEBUG System.out.println(seq); + // DEBUG System.err.println(rna); + int begin = 0; + int end = seq.length() - 1; + id = safeName(getDataName()); + seqs[i] = new Sequence(id, seq, begin, end); + String[] annot = new String[rna.length()]; + Annotation[] ann = new Annotation[rna.length()]; + for (int j = 0; j < rna.length(); j++) + { + annot[j] = rna.substring(j, j + 1); + + } + + for (int k = 0; k < rna.length(); k++) + { + ann[k] = new Annotation(annot[k], "", + jalview.schemes.ResidueProperties.getRNASecStrucState( + annot[k]).charAt(0), 0f); + + } + AlignmentAnnotation align = new AlignmentAnnotation("Sec. str.", + current.getID(), ann); + + seqs[i].addAlignmentAnnotation(align); + seqs[i].setRNA(result.get(i)); + this.annotations.addElement(align); + } + this.setSeqs(seqs); + + } + + /** * Parse a file in Stockholm format into Jalview's data model. The file has to * be passed at construction time * @@ -80,24 +187,26 @@ public class StockholmFile extends AlignFile String version; // String id; Hashtable seqAnn = new Hashtable(); // Sequence related annotations - Hashtable seqs = new Hashtable(); + LinkedHashMap seqs = new LinkedHashMap(); Regex p, r, rend, s, x; - // Temporary line for processing RNA annotation // String RNAannot = ""; // ------------------ Parsing File ---------------------- // First, we have to check that this file has STOCKHOLM format, i.e. the // first line must match + r = new Regex("# STOCKHOLM ([\\d\\.]+)"); if (!r.search(nextLine())) { throw new IOException( - "This file is not in valid STOCKHOLM format: First line does not contain '# STOCKHOLM'"); + MessageManager + .getString("exception.stockholm_invalid_format")); } else { version = r.stringMatched(1); + // logger.debug("Stockholm version: " + version); } @@ -133,15 +242,30 @@ public class StockholmFile extends AlignFile if (rend.search(line)) { // End of the alignment, pass stuff back - this.noSeqs = seqs.size(); + + String seqdb, dbsource = null; + Regex pf = new Regex("PF[0-9]{5}(.*)"); // Finds AC for Pfam + Regex rf = new Regex("RF[0-9]{5}(.*)"); // Finds AC for Rfam + if (getAlignmentProperty("AC") != null) + { + String dbType = getAlignmentProperty("AC").toString(); + if (pf.search(dbType)) + { + // PFAM Alignment - so references are typically from Uniprot + dbsource = "PFAM"; + } + else if (rf.search(dbType)) + { + dbsource = "RFAM"; + } + } // logger.debug("Number of sequences: " + this.noSeqs); - Enumeration accs = seqs.keys(); - while (accs.hasMoreElements()) + for (Map.Entry skey : seqs.entrySet()) { - String acc = (String) accs.nextElement(); // logger.debug("Processing sequence " + acc); - String seq = (String) seqs.remove(acc); + String acc = skey.getKey(); + String seq = skey.getValue(); if (maxLength < seq.length()) { maxLength = seq.length(); @@ -186,19 +310,25 @@ public class StockholmFile extends AlignFile String src = dbr.substring(0, dbr.indexOf(";")); String acn = dbr.substring(dbr.indexOf(";") + 1); jalview.util.DBRefUtils.parseToDbRef(seqO, src, "0", acn); - // seqO.addDBRef(dbref); } } - if (accAnnotations != null && accAnnotations.containsKey("SS")) - { - Vector v = (Vector) accAnnotations.get("SS"); - for (int i = 0; i < v.size(); i++) + if (accAnnotations != null && accAnnotations.containsKey("AC")) + { + if (dbsource != null) { - AlignmentAnnotation an = (AlignmentAnnotation) v.elementAt(i); - seqO.addAlignmentAnnotation(an); - // annotations.add(an); + String dbr = (String) accAnnotations.get("AC"); + if (dbr != null) + { + // we could get very clever here - but for now - just try to + // guess accession type from source of alignment plus structure + // of accession + guessDatabaseFor(seqO, dbr, dbsource); + + } } + // else - do what ? add the data anyway and prompt the user to + // specify what references these are ? } Hashtable features = null; @@ -225,6 +355,25 @@ public class StockholmFile extends AlignFile // TODO: map coding region to core jalview feature types String type = i.nextElement().toString(); Hashtable content = (Hashtable) features.remove(type); + + // add alignment annotation for this feature + String key = type2id(type); + if (key != null) + { + if (accAnnotations != null + && accAnnotations.containsKey(key)) + { + Vector vv = (Vector) accAnnotations.get(key); + for (int ii = 0; ii < vv.size(); ii++) + { + AlignmentAnnotation an = (AlignmentAnnotation) vv + .elementAt(ii); + seqO.addAlignmentAnnotation(an); + annotations.add(an); + } + } + } + Enumeration j = content.keys(); while (j.hasMoreElements()) { @@ -270,9 +419,11 @@ public class StockholmFile extends AlignFile if (!x.search(line)) { // logger.error("Could not parse sequence line: " + line); - throw new IOException("Could not parse sequence line: " + line); + throw new IOException(MessageManager.formatMessage( + "exception.couldnt_parse_sequence_line", new String[] + { line })); } - String ns = (String) seqs.get(x.stringMatched(1)); + String ns = seqs.get(x.stringMatched(1)); if (ns == null) { ns = ""; @@ -382,7 +533,9 @@ public class StockholmFile extends AlignFile } else { - throw new IOException("Error parsing " + line); + throw new IOException(MessageManager.formatMessage( + "exception.error_parsing_line", new String[] + { line })); } } else if (annType.equals("GC")) @@ -479,25 +632,28 @@ public class StockholmFile extends AlignFile ns += seq; content.put(description, ns); - if (type.equals("SS")) + // if(type.equals("SS")){ + Hashtable strucAnn; + if (seqAnn.containsKey(acc)) { - Hashtable strucAnn; - if (seqAnn.containsKey(acc)) - { - strucAnn = (Hashtable) seqAnn.get(acc); - } - else - { - strucAnn = new Hashtable(); - } - - Vector newStruc = new Vector(); - parseAnnotationRow(newStruc, type, ns); + strucAnn = (Hashtable) seqAnn.get(acc); + } + else + { + strucAnn = new Hashtable(); + } - strucAnn.put(type, newStruc); - seqAnn.put(acc, strucAnn); + Vector newStruc = new Vector(); + parseAnnotationRow(newStruc, type, ns); + for (AlignmentAnnotation alan : newStruc) + { + alan.visible = false; } + // annotations.addAll(newStruc); + strucAnn.put(type, newStruc); + seqAnn.put(acc, strucAnn); } + // } else { System.err @@ -508,8 +664,9 @@ public class StockholmFile extends AlignFile } else { - throw new IOException("Unknown annotation detected: " + annType - + " " + annContent); + throw new IOException(MessageManager.formatMessage( + "exception.unknown_annotation_detected", new String[] + { annType, annContent })); } } } @@ -523,6 +680,114 @@ public class StockholmFile extends AlignFile } } + /** + * Demangle an accession string and guess the originating sequence database + * for a given sequence + * + * @param seqO + * sequence to be annotated + * @param dbr + * Accession string for sequence + * @param dbsource + * source database for alignment (PFAM or RFAM) + */ + private void guessDatabaseFor(Sequence seqO, String dbr, String dbsource) + { + DBRefEntry dbrf = null; + List dbrs = new ArrayList(); + String seqdb = "Unknown", sdbac = "" + dbr; + int st = -1, en = -1, p; + if ((st = sdbac.indexOf("/")) > -1) + { + String num, range = sdbac.substring(st + 1); + sdbac = sdbac.substring(0, st); + if ((p = range.indexOf("-")) > -1) + { + p++; + if (p < range.length()) + { + num = range.substring(p).trim(); + try + { + en = Integer.parseInt(num); + } catch (NumberFormatException x) + { + // could warn here that index is invalid + en = -1; + } + } + } + else + { + p = range.length(); + } + num = range.substring(0, p).trim(); + try + { + st = Integer.parseInt(num); + } catch (NumberFormatException x) + { + // could warn here that index is invalid + st = -1; + } + } + if (dbsource.equals("PFAM")) + { + seqdb = "UNIPROT"; + if (sdbac.indexOf(".") > -1) + { + // strip of last subdomain + sdbac = sdbac.substring(0, sdbac.indexOf(".")); + dbrf = jalview.util.DBRefUtils.parseToDbRef(seqO, seqdb, dbsource, + sdbac); + if (dbrf != null) + { + dbrs.add(dbrf); + } + } + dbrf = jalview.util.DBRefUtils.parseToDbRef(seqO, dbsource, dbsource, + dbr); + if (dbr != null) + { + dbrs.add(dbrf); + } + } + else + { + seqdb = "EMBL"; // total guess - could be ENA, or something else these + // days + if (sdbac.indexOf(".") > -1) + { + // strip off last subdomain + sdbac = sdbac.substring(0, sdbac.indexOf(".")); + dbrf = jalview.util.DBRefUtils.parseToDbRef(seqO, seqdb, dbsource, + sdbac); + if (dbrf != null) + { + dbrs.add(dbrf); + } + } + + dbrf = jalview.util.DBRefUtils.parseToDbRef(seqO, dbsource, dbsource, + dbr); + if (dbrf != null) + { + dbrs.add(dbrf); + } + } + if (st != -1 && en != -1) + { + for (DBRefEntry d : dbrs) + { + jalview.util.MapList mp = new jalview.util.MapList(new int[] + { seqO.getStart(), seqO.getEnd() }, new int[] + { st, en }, 1, 1); + jalview.datamodel.Mapping mping = new Mapping(mp); + d.setMap(mping); + } + } + } + protected static AlignmentAnnotation parseAnnotationRow( Vector annotation, String label, String annots) { @@ -539,8 +804,12 @@ public class StockholmFile extends AlignFile convert2 = closeparen.replaceAll(convert1); annots = convert2; - String type = (label.indexOf("_cons") == label.length() - 5) ? label - .substring(0, label.length() - 5) : label; + String type = label; + if (label.contains("_cons")) + { + type = (label.indexOf("_cons") == label.length() - 5) ? label + .substring(0, label.length() - 5) : label; + } boolean ss = false; type = id2type(type); if (type.equals("secondary structure")) @@ -557,25 +826,29 @@ public class StockholmFile extends AlignFile // be written out if (ss) { - if (detectbrackets.search(pos)) - { - ann.secondaryStructure = jalview.schemes.ResidueProperties - .getRNASecStrucState(pos).charAt(0); - } - else + //if (" .-_".indexOf(pos) == -1) { - ann.secondaryStructure = jalview.schemes.ResidueProperties - .getDssp3state(pos).charAt(0); - } + if (detectbrackets.search(pos)) + { + ann.secondaryStructure = jalview.schemes.ResidueProperties + .getRNASecStrucState(pos).charAt(0); + } + else + { + ann.secondaryStructure = jalview.schemes.ResidueProperties + .getDssp3state(pos).charAt(0); + } - if (ann.secondaryStructure == pos.charAt(0) || pos.charAt(0) == 'C') - { - ann.displayCharacter = ""; // null; // " "; - } - else - { - ann.displayCharacter = " " + ann.displayCharacter; + if (ann.secondaryStructure == pos.charAt(0)) + { + ann.displayCharacter = ""; // null; // " "; + } + else + { + ann.displayCharacter = " " + ann.displayCharacter; + } } + } els[i] = ann; @@ -586,7 +859,9 @@ public class StockholmFile extends AlignFile { annot = (AlignmentAnnotation) e.nextElement(); if (annot.label.equals(type)) + { break; + } annot = null; } if (annot == null) @@ -607,14 +882,242 @@ public class StockholmFile extends AlignFile return annot; } - public static String print(SequenceI[] s) + public String print(SequenceI[] s) + { + // find max length of id + int max = 0; + int maxid = 0; + int in = 0; + Hashtable dataRef = null; + while ((in < s.length) && (s[in] != null)) + { + String tmp = printId(s[in]); + if (s[in].getSequence().length > max) + { + max = s[in].getSequence().length; + } + + if (tmp.length() > maxid) + { + maxid = tmp.length(); + } + if (s[in].getDBRef() != null) + { + for (int idb = 0; idb < s[in].getDBRef().length; idb++) + { + if (dataRef == null) + { + dataRef = new Hashtable(); + } + + String datAs1 = s[in].getDBRef()[idb].getSource().toString() + + " ; " + + s[in].getDBRef()[idb].getAccessionId().toString(); + dataRef.put(tmp, datAs1); + } + } + in++; + } + maxid += 9; + int i = 0; + + // output database type + if (al.getProperties() != null) + { + if (!al.getProperties().isEmpty()) + { + Enumeration key = al.getProperties().keys(); + Enumeration val = al.getProperties().elements(); + while (key.hasMoreElements()) + { + out.append("#=GF " + key.nextElement() + " " + val.nextElement()); + out.append(newline); + } + } + } + + // output database accessions + if (dataRef != null) + { + Enumeration en = dataRef.keys(); + while (en.hasMoreElements()) + { + Object idd = en.nextElement(); + String type = (String) dataRef.remove(idd); + out.append(new Format("%-" + (maxid - 2) + "s").form("#=GS " + + idd.toString() + " ")); + if (type.contains("PFAM") || type.contains("RFAM")) + { + + out.append(" AC " + type.substring(type.indexOf(";") + 1)); + } + else + { + out.append(" DR " + type + " "); + } + out.append(newline); + } + } + + // output annotations + while (i < s.length && s[i] != null) + { + if (s[i].getDatasetSequence() != null) + { + SequenceI ds = s[i].getDatasetSequence(); + AlignmentAnnotation[] alAnot; + Annotation[] ann; + Annotation annot; + alAnot = s[i].getAnnotation(); + String feature = ""; + if (alAnot != null) + { + for (int j = 0; j < alAnot.length; j++) + { + if (ds.getSequenceFeatures() != null) + { + feature = ds.getSequenceFeatures()[0].type; + } + String key = type2id(feature); + + if (key == null) + { + continue; + } + + // out.append("#=GR "); + out.append(new Format("%-" + maxid + "s").form("#=GR " + + printId(s[i]) + " " + key + " ")); + ann = alAnot[j].annotations; + boolean isrna = alAnot[j].isValidStruc(); + String seq = ""; + for (int k = 0; k < ann.length; k++) + { + seq += outputCharacter(key, k, isrna, ann, s[i]); + } + out.append(seq); + out.append(newline); + } + } + } + + out.append(new Format("%-" + maxid + "s").form(printId(s[i]) + " ")); + out.append(s[i].getSequenceAsString()); + out.append(newline); + i++; + } + + // alignment annotation + AlignmentAnnotation aa; + if (al.getAlignmentAnnotation() != null) + { + for (int ia = 0; ia < al.getAlignmentAnnotation().length; ia++) + { + aa = al.getAlignmentAnnotation()[ia]; + if (aa.autoCalculated || !aa.visible || aa.sequenceRef != null) + { + continue; + } + String seq = ""; + String label; + String key = ""; + if (aa.label.equals("seq")) + { + label = "seq_cons"; + } + else + { + key = type2id(aa.label.toLowerCase()); + if (key == null) + { + label = aa.label; + } + else + { + label = key + "_cons"; + } + } + if (label == null) + { + label = aa.label; + } + label = label.replace(" ", "_"); + + out.append(new Format("%-" + maxid + "s").form("#=GC " + label + + " ")); + boolean isrna = aa.isValidStruc(); + for (int j = 0; j < aa.annotations.length; j++) + { + seq += outputCharacter(key, j, isrna, aa.annotations, null); + } + out.append(seq); + out.append(newline); + } + } + return out.toString(); + } + + /** + * add an annotation character to the output row + * + * @param seq + * @param key + * @param k + * @param isrna + * @param ann + * @param sequenceI + */ + private char outputCharacter(String key, int k, + boolean isrna, Annotation[] ann, SequenceI sequenceI) { - return "not yet implemented"; + char seq = ' '; + Annotation annot = ann[k]; + String ch = (annot == null) ? ((sequenceI == null) ? "-" : Character + .toString(sequenceI.getCharAt(k))) + : annot.displayCharacter; + if (key != null && key.equals("SS")) + { + if (annot == null) + { + // sensible gap character if one is available or make one up + return sequenceI == null ? '-' : sequenceI + .getCharAt(k); + } + else + { + // valid secondary structure AND no alternative label (e.g. ' B') + if (annot.secondaryStructure > ' ' && ch.length() < 2) + { + return annot.secondaryStructure; + } + } + } + + if (ch.length() == 0) + { + seq = '.'; + } + else if (ch.length() == 1) + { + seq = ch.charAt(0); + } + else if (ch.length() > 1) + { + seq = ch.charAt(1); + } + return seq; } public String print() { - return print(getSeqsAsArray()); + out = new StringBuffer(); + out.append("# STOCKHOLM 1.0"); + out.append(newline); + print(getSeqsAsArray()); + + out.append("//"); + out.append(newline); + return out.toString(); } private static Hashtable typeIds = null; @@ -652,38 +1155,45 @@ public class StockholmFile extends AlignFile + id); return id; } + + protected static String type2id(String type) + { + String key = null; + Enumeration e = typeIds.keys(); + while (e.hasMoreElements()) + { + Object ll = e.nextElement(); + if (typeIds.get(ll).toString().equals(type)) + { + key = (String) ll; + break; + } + } + if (key != null) + { + return key; + } + System.err.println("Warning : Unknown Stockholm annotation type: " + + type); + return key; + } + /** - * //ssline is complete secondary structure line private AlignmentAnnotation - * addHelices(Vector annotation, String label, String ssline) { - * - * // decide on secondary structure or not. Annotation[] els = new - * Annotation[ssline.length()]; for (int i = 0; i < ssline.length(); i++) { - * String pos = ssline.substring(i, i + 1); Annotation ann; ann = new - * Annotation(pos, "", ' ', 0f); // 0f is 'valid' null - will not - * - * ann.secondaryStructure = - * jalview.schemes.ResidueProperties.getRNAssState(pos).charAt(0); - * - * ann.displayCharacter = "x" + ann.displayCharacter; - * - * System.out.println(ann.displayCharacter); - * - * els[i] = ann; } AlignmentAnnotation helicesAnnot = null; Enumeration e = - * annotation.elements(); while (e.hasMoreElements()) { helicesAnnot = - * (AlignmentAnnotation) e.nextElement(); if (helicesAnnot.label.equals(type)) - * break; helicesAnnot = null; } if (helicesAnnot == null) { helicesAnnot = - * new AlignmentAnnotation(type, type, els); - * annotation.addElement(helicesAnnot); } else { Annotation[] anns = new - * Annotation[helicesAnnot.annotations.length + els.length]; - * System.arraycopy(helicesAnnot.annotations, 0, anns, 0, - * helicesAnnot.annotations.length); System.arraycopy(els, 0, anns, - * helicesAnnot.annotations.length, els.length); helicesAnnot.annotations = - * anns; } + * make a friendly ID string. * - * helicesAnnot.features = Rna.GetBasePairs(ssline); - * Rna.HelixMap(helicesAnnot.features); - * - * - * return helicesAnnot; } + * @param dataName + * @return truncated dataName to after last '/' */ + private String safeName(String dataName) + { + int b = 0; + while ((b = dataName.indexOf("/")) > -1 && b < dataName.length()) + { + dataName = dataName.substring(b + 1).trim(); + + } + int e = (dataName.length() - dataName.indexOf(".")) + 1; + dataName = dataName.substring(1, e).trim(); + return dataName; + } }