X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fio%2FStockholmFile.java;h=04b1f87c16295621a96ef3c95d632f0552f35c65;hb=153dd62dc91da13ae732600e6ea55ddbe15eab39;hp=10ddf53cbc5eb5af5252b28ed31d147a17336a10;hpb=7bc226b58110fa26d9dbd3f0c78095d06909ffc3;p=jalview.git diff --git a/src/jalview/io/StockholmFile.java b/src/jalview/io/StockholmFile.java index 10ddf53..04b1f87 100644 --- a/src/jalview/io/StockholmFile.java +++ b/src/jalview/io/StockholmFile.java @@ -1,20 +1,19 @@ /* - * 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 - * 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. - * - * 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 + * Jalview - A Sequence Alignment Editor and Viewer (Version 2.6) + * Copyright (C) 2010 J Procter, AM Waterhouse, G Barton, M Clamp, S Searle + * + * 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 . */ /* * This extension was written by Benjamin Schuster-Boeckler at sanger.ac.uk @@ -27,69 +26,84 @@ import java.util.*; import com.stevesoft.pat.*; import jalview.datamodel.*; -//import org.apache.log4j.*; +// import org.apache.log4j.*; /** - * This class is supposed to parse a Stockholm format file into Jalview + * This class is supposed to parse a Stockholm format file into Jalview There + * are TODOs in this class: we do not know what the database source and version + * is for the file when parsing the #GS= AC tag which associates accessions with + * sequences. Database references are also not parsed correctly: a separate + * reference string parser must be added to parse the database reference form + * into Jalview's local representation. + * * @author bsb at sanger.ac.uk - * @version 0.3 + * @version 0.3 + jalview mods + * */ -public class StockholmFile - extends AlignFile +public class StockholmFile extends AlignFile { - //static Logger logger = Logger.getLogger("jalview.io.StockholmFile"); + // static Logger logger = Logger.getLogger("jalview.io.StockholmFile"); public StockholmFile() { } - public StockholmFile(String inFile, String type) - throws IOException + public StockholmFile(String inFile, String type) throws IOException { super(inFile, type); } + public StockholmFile(FileParse source) throws IOException + { + super(source); + } + public void initData() { super.initData(); } /** - * Parse a file in Stockholm format into Jalview's data model. The file has - * to be passed at construction time - * @throws IOException If there is an error with the input file + * Parse a file in Stockholm format into Jalview's data model. The file has to + * be passed at construction time + * + * @throws IOException + * If there is an error with the input file */ - public void parse() - throws IOException + public void parse() throws IOException { + StringBuffer treeString = new StringBuffer(); + String treeName = null; // --------------- Variable Definitions ------------------- String line; String version; - // String id; - Hashtable alAnn = new Hashtable(); // Alignment wide annotations + // String id; Hashtable seqAnn = new Hashtable(); // Sequence related annotations Hashtable seqs = new Hashtable(); Regex p, r, rend, s, x; // ------------------ Parsing File ---------------------- - // First, we have to check that this file has STOCKHOLM format, i.e. the first line must match + // 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'"); + throw new IOException( + "This file is not in valid STOCKHOLM format: First line does not contain '# STOCKHOLM'"); } else { version = r.stringMatched(1); - //logger.debug("Stockholm version: " + version); + // logger.debug("Stockholm version: " + version); } -// We define some Regexes here that will be used regularily later - rend = new Regex("\\/\\/"); // Find the end of an alignment - p = new Regex("(\\S+)\\/(\\d+)\\-(\\d+)"); // split sequence id in id/from/to - s = new Regex("(\\S+)\\s+(\\w{2})\\s+(.*)"); // Parses annotation subtype + // We define some Regexes here that will be used regularily later + rend = new Regex("^\\s*\\/\\/"); // Find the end of an alignment + p = new Regex("(\\S+)\\/(\\d+)\\-(\\d+)"); // split sequence id in + // id/from/to + s = new Regex("(\\S+)\\s+(\\S*)\\s+(.*)"); // Parses annotation subtype r = new Regex("#=(G[FSRC]?)\\s+(.*)"); // Finds any annotation line - x = new Regex("(\\S+)\\s+(\\S+)"); //split id from sequence + x = new Regex("(\\S+)\\s+(\\S+)"); // split id from sequence rend.optimize(); p.optimize(); @@ -97,7 +111,7 @@ public class StockholmFile r.optimize(); x.optimize(); - while ( (line = nextLine()) != null) + while ((line = nextLine()) != null) { if (line.length() == 0) { @@ -105,16 +119,16 @@ public class StockholmFile } if (rend.search(line)) { -// End of the alignment, pass stuff back + // End of the alignment, pass stuff back this.noSeqs = seqs.size(); - //logger.debug("Number of sequences: " + this.noSeqs); + // logger.debug("Number of sequences: " + this.noSeqs); Enumeration accs = seqs.keys(); while (accs.hasMoreElements()) { String acc = (String) accs.nextElement(); - //logger.debug("Processing sequence " + acc); - String seq = (String) seqs.get(acc); + // logger.debug("Processing sequence " + acc); + String seq = (String) seqs.remove(acc); if (maxLength < seq.length()) { maxLength = seq.length(); @@ -122,6 +136,14 @@ public class StockholmFile int start = 1; int end = -1; String sid = acc; + // Retrieve hash of annotations for this accession + Hashtable accAnnotations = null; + + if (seqAnn != null && seqAnn.containsKey(acc)) + { + accAnnotations = (Hashtable) seqAnn.remove(acc); + } + // Split accession in id and from/to if (p.search(acc)) { @@ -129,30 +151,51 @@ public class StockholmFile start = Integer.parseInt(p.stringMatched(2)); end = Integer.parseInt(p.stringMatched(3)); } - //logger.debug(sid + ", " + start + ", " + end); + // logger.debug(sid + ", " + start + ", " + end); Sequence seqO = new Sequence(sid, seq, start, end); + // Add Description (if any) + if (accAnnotations != null && accAnnotations.containsKey("DE")) + { + String desc = (String) accAnnotations.get("DE"); + seqO.setDescription((desc == null) ? "" : desc); + } + // Add DB References (if any) + if (accAnnotations != null && accAnnotations.containsKey("DR")) + { + String dbr = (String) accAnnotations.get("DR"); + if (dbr != null && dbr.indexOf(";") > -1) + { + 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); + } + } Hashtable features = null; // We need to adjust the positions of all features to account for gaps try { - features = (Hashtable) ( (Hashtable) seqAnn.get(acc)).get( - "features"); - } - catch (java.lang.NullPointerException e) + features = (Hashtable) accAnnotations.remove("features"); + } catch (java.lang.NullPointerException e) { - //loggerwarn("Getting Features for " + acc + ": " + e.getMessage()); - //continue; + // loggerwarn("Getting Features for " + acc + ": " + + // e.getMessage()); + // continue; } // if we have features if (features != null) { + int posmap[] = seqO.findPositionMap(); Enumeration i = features.keys(); while (i.hasMoreElements()) { + // TODO: parse out secondary structure annotation as annotation + // row + // TODO: parse out scores as annotation row + // TODO: map coding region to core jalview feature types String type = i.nextElement().toString(); - Hashtable content = (Hashtable) features.get(type); - + Hashtable content = (Hashtable) features.remove(type); Enumeration j = content.keys(); while (j.hasMoreElements()) { @@ -162,13 +205,17 @@ public class StockholmFile for (int k = 0; k < byChar.length; k++) { char c = byChar[k]; - if (! (c == ' ' || c == '_' || - c == '-')) + if (!(c == ' ' || c == '_' || c == '-' || c == '.')) // PFAM + // uses + // '.' + // for + // feature + // background { - int new_pos = seqO.findPosition(k); - SequenceFeature feat = - new SequenceFeature(type, - desc, new_pos, new_pos, 0f, null); + int new_pos = posmap[k]; // look up nearest seqeunce + // position to this column + SequenceFeature feat = new SequenceFeature(type, desc, + new_pos, new_pos, 0f, null); seqO.addSequenceFeature(feat); } @@ -178,18 +225,22 @@ public class StockholmFile } } - //logger.debug("Adding seq " + acc + " from " + start + " to " + end + ": " + seq); + // garbage collect + + // logger.debug("Adding seq " + acc + " from " + start + " to " + end + // + ": " + seq); this.seqs.addElement(seqO); } + return; // finished parsing this segment of source } else if (!r.search(line)) { - //System.err.println("Found sequence line: " + line); + // System.err.println("Found sequence line: " + line); // Split sequence in sequence and accession parts if (!x.search(line)) { - //logger.error("Could not parse sequence line: " + line); + // logger.error("Could not parse sequence line: " + line); throw new IOException("Could not parse sequence line: " + line); } String ns = (String) seqs.get(x.stringMatched(1)); @@ -206,80 +257,88 @@ public class StockholmFile String annType = r.stringMatched(1); String annContent = r.stringMatched(2); - //System.err.println("type:" + annType + " content: " + annContent); + // System.err.println("type:" + annType + " content: " + annContent); if (annType.equals("GF")) { - /* Generic per-File annotation, free text - * Magic features: - * #=GF NH - * #=GF TN - * Pfam descriptions: - 7. DESCRIPTION OF FIELDS - - Compulsory fields: - ------------------ - - AC Accession number: Accession number in form PFxxxxx.version or PBxxxxxx. - ID Identification: One word name for family. - DE Definition: Short description of family. - AU Author: Authors of the entry. - SE Source of seed: The source suggesting the seed members belong to one family. - GA Gathering method: Search threshold to build the full alignment. - TC Trusted Cutoff: Lowest sequence score and domain score of match in the full alignment. - NC Noise Cutoff: Highest sequence score and domain score of match not in full alignment. - TP Type: Type of family -- presently Family, Domain, Motif or Repeat. - SQ Sequence: Number of sequences in alignment. - AM Alignment Method The order ls and fs hits are aligned to the model to build the full align. - // End of alignment. - - Optional fields: - ---------------- - - DC Database Comment: Comment about database reference. - DR Database Reference: Reference to external database. - RC Reference Comment: Comment about literature reference. - RN Reference Number: Reference Number. - RM Reference Medline: Eight digit medline UI number. - RT Reference Title: Reference Title. - RA Reference Author: Reference Author - RL Reference Location: Journal location. - PI Previous identifier: Record of all previous ID lines. - KW Keywords: Keywords. - CC Comment: Comments. - NE Pfam accession: Indicates a nested domain. - NL Location: Location of nested domains - sequence ID, start and end of insert. - - Obsolete fields: - ----------- - AL Alignment method of seed: The method used to align the seed members. + /* + * Generic per-File annotation, free text Magic features: #=GF NH + * #=GF TN Pfam descriptions: 7. DESCRIPTION OF FIELDS + * + * Compulsory fields: ------------------ + * + * AC Accession number: Accession number in form PFxxxxx.version or + * PBxxxxxx. ID Identification: One word name for family. DE + * Definition: Short description of family. AU Author: Authors of the + * entry. SE Source of seed: The source suggesting the seed members + * belong to one family. GA Gathering method: Search threshold to + * build the full alignment. TC Trusted Cutoff: Lowest sequence score + * and domain score of match in the full alignment. NC Noise Cutoff: + * Highest sequence score and domain score of match not in full + * alignment. TP Type: Type of family -- presently Family, Domain, + * Motif or Repeat. SQ Sequence: Number of sequences in alignment. AM + * Alignment Method The order ls and fs hits are aligned to the model + * to build the full align. // End of alignment. + * + * Optional fields: ---------------- + * + * DC Database Comment: Comment about database reference. DR Database + * Reference: Reference to external database. RC Reference Comment: + * Comment about literature reference. RN Reference Number: Reference + * Number. RM Reference Medline: Eight digit medline UI number. RT + * Reference Title: Reference Title. RA Reference Author: Reference + * Author RL Reference Location: Journal location. PI Previous + * identifier: Record of all previous ID lines. KW Keywords: Keywords. + * CC Comment: Comments. NE Pfam accession: Indicates a nested domain. + * NL Location: Location of nested domains - sequence ID, start and + * end of insert. + * + * Obsolete fields: ----------- AL Alignment method of seed: The + * method used to align the seed members. */ - // Let's save the annotations, maybe we'll be able to do something with them later... + // Let's save the annotations, maybe we'll be able to do something + // with them later... Regex an = new Regex("(\\w+)\\s*(.*)"); if (an.search(annContent)) { - alAnn.put(an.stringMatched(1), an.stringMatched(2)); + if (an.stringMatched(1).equals("NH")) + { + treeString.append(an.stringMatched(2)); + } + else if (an.stringMatched(1).equals("TN")) + { + if (treeString.length() > 0) + { + if (treeName == null) + { + treeName = "Tree " + (getTreeCount() + 1); + } + addNewickTree(treeName, treeString.toString()); + } + treeName = an.stringMatched(2); + treeString = new StringBuffer(); + } + setAlignmentProperty(an.stringMatched(1), an.stringMatched(2)); } } else if (annType.equals("GS")) { // Generic per-Sequence annotation, free text - /* Pfam uses these features: - Feature Description - --------------------- ----------- - AC ACcession number - DE DEscription - DR ; ; Database Reference - OS OrganiSm (species) - OC Organism Classification (clade, etc.) - LO Look (Color, etc.) + /* + * Pfam uses these features: Feature Description --------------------- + * ----------- AC ACcession number DE + * DEscription DR ; ; Database Reference OS + * OrganiSm (species) OC Organism Classification (clade, etc.) + * LO Look (Color, etc.) */ if (s.search(annContent)) { String acc = s.stringMatched(1); String type = s.stringMatched(2); String content = s.stringMatched(3); - + // TODO: store DR in a vector. + // TODO: store AC according to generic file db annotation. Hashtable ann; if (seqAnn.containsKey(acc)) { @@ -299,37 +358,45 @@ public class StockholmFile } else if (annType.equals("GC")) { - System.out.println(annContent); // Generic per-Column annotation, exactly 1 char per column + // always need a label. + if (x.search(annContent)) + { + // parse out and create alignment annotation directly. + parseAnnotationRow(annotations, x.stringMatched(1), x + .stringMatched(2)); + } } else if (annType.equals("GR")) { - // Generic per-Sequence AND per-Column markup, exactly 1 char per column + // Generic per-Sequence AND per-Column markup, exactly 1 char per + // column /* - Feature Description Markup letters - ------- ----------- -------------- - SS Secondary Structure [HGIEBTSCX] - SA Surface Accessibility [0-9X] - (0=0%-10%; ...; 9=90%-100%) - TM TransMembrane [Mio] - PP Posterior Probability [0-9*] - (0=0.00-0.05; 1=0.05-0.15; *=0.95-1.00) - LI LIgand binding [*] - AS Active Site [*] - IN INtron (in or after) [0-2] + * Feature Description Markup letters ------- ----------- + * -------------- SS Secondary Structure [HGIEBTSCX] SA Surface + * Accessibility [0-9X] (0=0%-10%; ...; 9=90%-100%) TM TransMembrane + * [Mio] PP Posterior Probability [0-9*] (0=0.00-0.05; 1=0.05-0.15; + * *=0.95-1.00) LI LIgand binding [*] AS Active Site [*] IN INtron (in + * or after) [0-2] */ if (s.search(annContent)) { String acc = s.stringMatched(1); String type = s.stringMatched(2); - String seq = s.stringMatched(3); - String description = new String(); - + String seq = new String(s.stringMatched(3)); + String description = null; // Check for additional information about the current annotation - if (x.search(seq)) + // We use a simple string tokenizer here for speed + StringTokenizer sep = new StringTokenizer(seq, " \t"); + description = sep.nextToken(); + if (sep.hasMoreTokens()) { - description = x.stringMatched(1); - seq = x.stringMatched(2); + seq = sep.nextToken(); + } + else + { + seq = description; + description = new String(); } // sequence id with from-to fields @@ -337,12 +404,12 @@ public class StockholmFile // Get an object with all the annotations for this sequence if (seqAnn.containsKey(acc)) { - //logger.debug("Found annotations for " + acc); + // logger.debug("Found annotations for " + acc); ann = (Hashtable) seqAnn.get(acc); } else { - //logger.debug("Creating new annotations holder for " + acc); + // logger.debug("Creating new annotations holder for " + acc); ann = new Hashtable(); seqAnn.put(acc, ann); } @@ -351,12 +418,12 @@ public class StockholmFile // Get an object with all the content for an annotation if (ann.containsKey("features")) { - //logger.debug("Found features for " + acc); + // logger.debug("Found features for " + acc); features = (Hashtable) ann.get("features"); } else { - //logger.debug("Creating new features holder for " + acc); + // logger.debug("Creating new features holder for " + acc); features = new Hashtable(); ann.put("features", features); } @@ -364,12 +431,13 @@ public class StockholmFile Hashtable content; if (features.containsKey(this.id2type(type))) { - //logger.debug("Found content for " + this.id2type(type)); + // logger.debug("Found content for " + this.id2type(type)); content = (Hashtable) features.get(this.id2type(type)); } else { - //logger.debug("Creating new content holder for " + this.id2type(type)); + // logger.debug("Creating new content holder for " + + // this.id2type(type)); content = new Hashtable(); features.put(this.id2type(type), content); } @@ -383,91 +451,133 @@ public class StockholmFile } else { - throw new IOException("Error parsing " + line); + System.err + .println("Warning - couldn't parse sequence annotation row line:\n" + + line); + // throw new IOException("Error parsing " + line); } } else { - throw new IOException("Unknown annotation detected: " + annType + " " + - annContent); + throw new IOException("Unknown annotation detected: " + annType + + " " + annContent); } } } + if (treeString.length() > 0) + { + if (treeName == null) + { + treeName = "Tree " + (1 + getTreeCount()); + } + addNewickTree(treeName, treeString.toString()); + } } - public static String print(SequenceI[] s) - { - return "not yet implemented"; - } - - public String print() - { - return print(getSeqsAsArray()); - } - - private String id2type(String id) + private AlignmentAnnotation parseAnnotationRow(Vector annotation, + String label, String annots) { - // GR ids - if (id.equals("SS")) - { - return "secondary structure"; - } - else if (id.equals("SA")) - { - return "surface accessibility"; - } - else if (id.equals("TM")) - { - return "transmembrane"; - } - else if (id.equals("PP")) - { - return "posterior probability"; - } - else if (id.equals("LI")) - { - return "ligand binding"; - } - else if (id.equals("AS")) + String 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")) { - return "active site"; + ss = true; } - else if (id.equals("IN")) + // decide on secondary structure or not. + Annotation[] els = new Annotation[annots.length()]; + for (int i = 0; i < annots.length(); i++) { - return "intron"; - } - else if (id.equals("IR")) - { - return "interacting residue"; - } - // GS ids - else if (id.equals("AC")) - { - return "accession"; - } - else if (id.equals("OS")) - { - return "organism"; + String pos = annots.substring(i, i + 1); + Annotation ann; + ann = new Annotation(pos, "", ' ', 0f); // 0f is 'valid' null - will not + // be written out + if (ss) + { + 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; + } + } + + els[i] = ann; } - else if (id.equals("CL")) + AlignmentAnnotation annot = null; + Enumeration e = annotation.elements(); + while (e.hasMoreElements()) { - return "class"; + annot = (AlignmentAnnotation) e.nextElement(); + if (annot.label.equals(type)) + break; + annot = null; } - else if (id.equals("DE")) + if (annot == null) { - return "description"; + annot = new AlignmentAnnotation(type, type, els); + annotation.addElement(annot); } - else if (id.equals("DR")) + else { - return "reference"; + Annotation[] anns = new Annotation[annot.annotations.length + + els.length]; + System.arraycopy(annot.annotations, 0, anns, 0, + annot.annotations.length); + System.arraycopy(els, 0, anns, annot.annotations.length, els.length); + annot.annotations = anns; } - else if (id.equals("LO")) + return annot; + } + + public static String print(SequenceI[] s) + { + return "not yet implemented"; + } + + public String print() + { + return print(getSeqsAsArray()); + } + + private static Hashtable typeIds = null; + static + { + if (typeIds == null) { - return "look"; + typeIds = new Hashtable(); + typeIds.put("SS", "secondary structure"); + typeIds.put("SA", "surface accessibility"); + typeIds.put("TM", "transmembrane"); + typeIds.put("PP", "posterior probability"); + typeIds.put("LI", "ligand binding"); + typeIds.put("AS", "active site"); + typeIds.put("IN", "intron"); + typeIds.put("IR", "interacting residue"); + typeIds.put("AC", "accession"); + typeIds.put("OS", "organism"); + typeIds.put("CL", "class"); + typeIds.put("DE", "description"); + typeIds.put("DR", "reference"); + typeIds.put("LO", "look"); + typeIds.put("RF", "reference positions"); + } - else + } + + private String id2type(String id) + { + if (typeIds.containsKey(id)) { - return null; + return (String) typeIds.get(id); } + System.err.println("Warning : Unknown Stockholm annotation type code " + + id); + return id; } }