From: Jim Procter Date: Wed, 13 Feb 2013 19:26:01 +0000 (+0000) Subject: Merge branch 'jims_annotate3d_update' into menard_finalsep2012 X-Git-Tag: Jalview_2_9~221^2^2~8^2~15 X-Git-Url: http://source.jalview.org/gitweb/?a=commitdiff_plain;h=ac1d5169b86af13d4f06152a09cb125309ddf76f;p=jalview.git Merge branch 'jims_annotate3d_update' into menard_finalsep2012 JAL-1269 is fixed by this merge Conflicts: .classpath src/jalview/appletgui/AlignFrame.java src/jalview/io/RnamlFile.java src/jalview/io/StockholmFile.java src/jalview/io/TCoffeeScoreFile.java src/jalview/renderer/AnnotationRenderer.java test/jalview/io/TCoffeeScoreFileTest.java --- ac1d5169b86af13d4f06152a09cb125309ddf76f diff --cc .classpath index 0633302,f1bb31c..8ace199 --- a/.classpath +++ b/.classpath @@@ -44,8 -44,9 +44,9 @@@ + - + diff --cc src/jalview/io/StockholmFile.java index 71cc5c5,b0d3c8b..a9b8d37 --- a/src/jalview/io/StockholmFile.java +++ b/src/jalview/io/StockholmFile.java @@@ -23,16 -23,15 +23,17 @@@ package jalview.io import jalview.datamodel.AlignmentAnnotation; import jalview.datamodel.Annotation; import jalview.datamodel.Sequence; +import jalview.datamodel.SequenceFeature; import jalview.datamodel.SequenceI; - import java.io.*; - import java.util.*; - - - import javax.xml.parsers.ParserConfigurationException; - - import org.xml.sax.SAXException; + 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.StringTokenizer; + import java.util.Vector; import com.stevesoft.pat.Regex; @@@ -92,460 -88,64 +90,523 @@@ public class StockholmFile extends Alig */ public void parse() throws IOException { - + StringBuffer treeString = new StringBuffer(); + String treeName = null; + // --------------- Variable Definitions ------------------- + String line; + String version; + String id; + Hashtable seqAnn = new Hashtable(); // Sequence related annotations + Hashtable seqs = new Hashtable(); + 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'"); + } + else + { + version = r.stringMatched(1); + + // logger.debug("Stockholm version: " + version); + } + + // 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 + + // Convert all bracket types to parentheses (necessary for passing to VARNA) + Regex openparen = new Regex("(<|\\[)", "("); + Regex closeparen = new Regex("(>|\\])", ")"); + + // Detect if file is RNA by looking for bracket types + Regex detectbrackets = new Regex("(<|>|\\[|\\]|\\(|\\))"); + + rend.optimize(); + p.optimize(); + s.optimize(); + r.optimize(); + x.optimize(); + openparen.optimize(); + closeparen.optimize(); + + while ((line = nextLine()) != null) + { + if (line.length() == 0) + { + continue; + } + if (rend.search(line)) + { + // End of the alignment, pass stuff back + + this.noSeqs = seqs.size(); + // 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.remove(acc); + if (maxLength < seq.length()) + { + maxLength = seq.length(); + } + int start = 1; + int end = -1; + String sid = acc; + /* + * Retrieve hash of annotations for this accession + * Associate Annotation with accession + */ + Hashtable accAnnotations = null; + + if (seqAnn != null && seqAnn.containsKey(acc)) + { + accAnnotations = (Hashtable) seqAnn.remove(acc); + //TODO: add structures to sequence + } + + // Split accession in id and from/to + if (p.search(acc)) + { + sid = p.stringMatched(1); + start = Integer.parseInt(p.stringMatched(2)); + end = Integer.parseInt(p.stringMatched(3)); + } + // 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); + } + } + if (accAnnotations != null && accAnnotations.containsKey("SS")) + { + Vector v = (Vector) accAnnotations.get("SS"); + + for (int i = 0; i < v.size(); i++) + { + AlignmentAnnotation an = (AlignmentAnnotation) v.elementAt(i); + seqO.addAlignmentAnnotation(an); + //annotations.add(an); + } + } + + Hashtable features = null; + // We need to adjust the positions of all features to account for gaps + try + { + features = (Hashtable) accAnnotations.remove("features"); + } catch (java.lang.NullPointerException e) + { + // 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.remove(type); + Enumeration j = content.keys(); + while (j.hasMoreElements()) + { + String desc = j.nextElement().toString(); + String ns = content.get(desc).toString(); + char[] byChar = ns.toCharArray(); + for (int k = 0; k < byChar.length; k++) + { + char c = byChar[k]; + if (!(c == ' ' || c == '_' || c == '-' || c == '.')) // PFAM + // uses + // '.' + // for + // feature + // background + { + 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); + } + } + } + + } + + } + // 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); + + // Split sequence in sequence and accession parts + if (!x.search(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)); + if (ns == null) + { + ns = ""; + } + ns += x.stringMatched(2); + + seqs.put(x.stringMatched(1), ns); + } + else + { + String annType = r.stringMatched(1); + String annContent = r.stringMatched(2); + + // 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. + */ + // 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)) + { + 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.) + */ + 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)) + { + ann = (Hashtable) seqAnn.get(acc); + } + else + { + ann = new Hashtable(); + } + ann.put(type, content); + seqAnn.put(acc, ann); + } + else + { + throw new IOException("Error parsing " + line); + } + } + else if (annType.equals("GC")) + { + // 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 + /* + * 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 = new String(s.stringMatched(3)); + String description = null; + // Check for additional information about the current annotation + // We use a simple string tokenizer here for speed + StringTokenizer sep = new StringTokenizer(seq, " \t"); + description = sep.nextToken(); + if (sep.hasMoreTokens()) + { + seq = sep.nextToken(); + } + else + { + seq = description; + description = new String(); + } + // sequence id with from-to fields + + Hashtable ann; + // Get an object with all the annotations for this sequence + if (seqAnn.containsKey(acc)) + { + // logger.debug("Found annotations for " + acc); + ann = (Hashtable) seqAnn.get(acc); + } + else + { + // logger.debug("Creating new annotations holder for " + acc); + ann = new Hashtable(); + seqAnn.put(acc, ann); + } + //TODO test structure, call parseAnnotationRow with vector from hashtable for specific sequence + Hashtable features; + // Get an object with all the content for an annotation + if (ann.containsKey("features")) + { + // logger.debug("Found features for " + acc); + features = (Hashtable) ann.get("features"); + } + else + { + // logger.debug("Creating new features holder for " + acc); + features = new Hashtable(); + ann.put("features", features); + } + + Hashtable content; + if (features.containsKey(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)); + content = new Hashtable(); + features.put(this.id2type(type), content); + } + String ns = (String) content.get(description); + if (ns == null) + { + ns = ""; + } + ns += seq; + content.put(description, ns); + + if(type.equals("SS")){ + Hashtable strucAnn; + if (seqAnn.containsKey(acc)) + { + strucAnn = (Hashtable) seqAnn.get(acc); + } + else + { + strucAnn = new Hashtable(); + } + + Vector newStruc=new Vector(); + parseAnnotationRow(newStruc, type,ns); + + strucAnn.put(type, newStruc); + seqAnn.put(acc, strucAnn); + } + } + else + { + 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); + } + } + } + if (treeString.length() > 0) + { + if (treeName == null) + { + treeName = "Tree " + (1 + getTreeCount()); + } + addNewickTree(treeName, treeString.toString()); + } + } + - protected static AlignmentAnnotation parseAnnotationRow(Vector annotation, - String label, String annots) ++ ++ /** ++ * 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() 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()]; + 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); + + } + + protected static AlignmentAnnotation parseAnnotationRow( + Vector annotation, String label, String annots) { String convert1, convert2 = null; @@@ -717,13 -282,13 +743,13 @@@ private String safeName(String dataName) { int b = 0; - while ((b = dataName.indexOf("/")) > -1 && b < dataName.length() ) - { - dataName = dataName.substring(b + 1).trim(); - + 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(); + int e = (dataName.length() - dataName.indexOf(".")) + 1; + dataName = dataName.substring(1, e).trim(); return dataName; } -} +} diff --cc src/jalview/io/TCoffeeScoreFile.java index 158ba6b,ad5f52a..c020d99 --- a/src/jalview/io/TCoffeeScoreFile.java +++ b/src/jalview/io/TCoffeeScoreFile.java @@@ -86,8 -86,9 +86,7 @@@ import java.util.regex.Pattern * @author Paolo Di Tommaso * */ -public class TCoffeeScoreFile extends AlignFile -{ - +public class TCoffeeScoreFile extends AlignFile { - public TCoffeeScoreFile(String inFile, String type) throws IOException { super(inFile, type); diff --cc src/jalview/renderer/AnnotationRenderer.java index cb53eb6,65f65bb..64ab859 --- a/src/jalview/renderer/AnnotationRenderer.java +++ b/src/jalview/renderer/AnnotationRenderer.java @@@ -318,7 -318,10 +318,11 @@@ public class AnnotationRendere updateFromAwtRenderPanel(annotPanel, av); fm = g.getFontMetrics(); AlignmentAnnotation[] aa = av.getAlignment().getAlignmentAnnotation(); + int temp = 0; + if (aa==null) + { + return false; + } int x = 0, y = 0; int column = 0; char lastSS;