Merge branch 'jims_annotate3d_update' into menard_finalsep2012
[jalview.git] / src / jalview / io / StockholmFile.java
index b0d3c8b..a9b8d37 100644 (file)
@@ -23,6 +23,7 @@ package jalview.io;
 import jalview.datamodel.AlignmentAnnotation;\r
 import jalview.datamodel.Annotation;\r
 import jalview.datamodel.Sequence;\r
+import jalview.datamodel.SequenceFeature;\r
 import jalview.datamodel.SequenceI;\r
 \r
 import java.io.BufferedReader;\r
@@ -31,6 +32,7 @@ import java.io.IOException;
 import java.util.ArrayList;\r
 import java.util.Enumeration;\r
 import java.util.Hashtable;\r
+import java.util.StringTokenizer;\r
 import java.util.Vector;\r
 \r
 import com.stevesoft.pat.Regex;\r
@@ -88,6 +90,465 @@ public class StockholmFile extends AlignFile
    */\r
   public void parse() throws IOException\r
   {\r
+      StringBuffer treeString = new StringBuffer();\r
+      String treeName = null;\r
+      // --------------- Variable Definitions -------------------\r
+      String line;\r
+      String version;\r
+      String id;\r
+      Hashtable seqAnn = new Hashtable(); // Sequence related annotations\r
+      Hashtable seqs = new Hashtable();\r
+      Regex p, r, rend, s, x;\r
+      // Temporary line for processing RNA annotation\r
+      // String RNAannot = "";\r
+\r
+      // ------------------ Parsing File ----------------------\r
+      // First, we have to check that this file has STOCKHOLM format, i.e. the\r
+      // first line must match\r
+      \r
+  \r
+               r = new Regex("# STOCKHOLM ([\\d\\.]+)");\r
+               if (!r.search(nextLine()))\r
+               {\r
+                       throw new IOException(\r
+                                       "This file is not in valid STOCKHOLM format: First line does not contain '# STOCKHOLM'");\r
+               }\r
+               else\r
+               {\r
+                       version = r.stringMatched(1);\r
+               \r
+                       // logger.debug("Stockholm version: " + version);\r
+               }\r
+\r
+               // We define some Regexes here that will be used regularily later\r
+               rend = new Regex("^\\s*\\/\\/"); // Find the end of an alignment\r
+               p = new Regex("(\\S+)\\/(\\d+)\\-(\\d+)"); // split sequence id in\r
+               // id/from/to\r
+               s = new Regex("(\\S+)\\s+(\\S*)\\s+(.*)"); // Parses annotation subtype\r
+               r = new Regex("#=(G[FSRC]?)\\s+(.*)"); // Finds any annotation line\r
+               x = new Regex("(\\S+)\\s+(\\S+)"); // split id from sequence\r
+\r
+               // Convert all bracket types to parentheses (necessary for passing to VARNA)\r
+               Regex openparen = new Regex("(<|\\[)", "(");\r
+               Regex closeparen = new Regex("(>|\\])", ")");\r
+\r
+               // Detect if file is RNA by looking for bracket types\r
+               Regex detectbrackets = new Regex("(<|>|\\[|\\]|\\(|\\))");\r
+\r
+               rend.optimize();\r
+           p.optimize();\r
+           s.optimize();\r
+           r.optimize();\r
+           x.optimize();\r
+           openparen.optimize();\r
+           closeparen.optimize();\r
+       \r
+           while ((line = nextLine()) != null)\r
+           {\r
+             if (line.length() == 0)\r
+             {\r
+               continue;\r
+             }\r
+             if (rend.search(line))\r
+             {\r
+               // End of the alignment, pass stuff back\r
+       \r
+               this.noSeqs = seqs.size();\r
+               // logger.debug("Number of sequences: " + this.noSeqs);\r
+               Enumeration accs = seqs.keys();\r
+               while (accs.hasMoreElements())\r
+               {\r
+                 String acc = (String) accs.nextElement();\r
+                 // logger.debug("Processing sequence " + acc);\r
+                 String seq = (String) seqs.remove(acc);\r
+                 if (maxLength < seq.length())\r
+                 {\r
+                   maxLength = seq.length();\r
+                 }\r
+                 int start = 1;\r
+                 int end = -1;\r
+                 String sid = acc;\r
+                 /*\r
+                  * Retrieve hash of annotations for this accession\r
+                  * Associate Annotation with accession\r
+                  */\r
+                 Hashtable accAnnotations = null;\r
+       \r
+                 if (seqAnn != null && seqAnn.containsKey(acc))\r
+                 {\r
+                   accAnnotations = (Hashtable) seqAnn.remove(acc);\r
+                   //TODO: add structures to sequence\r
+                 }\r
+       \r
+                 // Split accession in id and from/to\r
+                 if (p.search(acc))\r
+                 {\r
+                   sid = p.stringMatched(1);\r
+                   start = Integer.parseInt(p.stringMatched(2));\r
+                   end = Integer.parseInt(p.stringMatched(3));\r
+                 }\r
+                 // logger.debug(sid + ", " + start + ", " + end);\r
+       \r
+                 Sequence seqO = new Sequence(sid, seq, start, end);\r
+                 // Add Description (if any)\r
+                 if (accAnnotations != null && accAnnotations.containsKey("DE"))\r
+                 {\r
+                   String desc = (String) accAnnotations.get("DE");\r
+                   seqO.setDescription((desc == null) ? "" : desc);\r
+                 }\r
+                 // Add DB References (if any)\r
+                 if (accAnnotations != null && accAnnotations.containsKey("DR"))\r
+                 {\r
+                   String dbr = (String) accAnnotations.get("DR");\r
+                   if (dbr != null && dbr.indexOf(";") > -1)\r
+                   {\r
+                     String src = dbr.substring(0, dbr.indexOf(";"));\r
+                     String acn = dbr.substring(dbr.indexOf(";") + 1);\r
+                     jalview.util.DBRefUtils.parseToDbRef(seqO, src, "0", acn);\r
+                     // seqO.addDBRef(dbref);\r
+                   }\r
+                 }        \r
+                 if (accAnnotations != null && accAnnotations.containsKey("SS"))\r
+                 {\r
+                         Vector v = (Vector) accAnnotations.get("SS");\r
+                         \r
+                         for (int i = 0; i < v.size(); i++)\r
+                           {\r
+                                 AlignmentAnnotation an = (AlignmentAnnotation) v.elementAt(i);\r
+                                 seqO.addAlignmentAnnotation(an);\r
+                                 //annotations.add(an);\r
+                           }\r
+                 }\r
+               \r
+                 Hashtable features = null;\r
+                 // We need to adjust the positions of all features to account for gaps\r
+                 try\r
+                 {\r
+                   features = (Hashtable) accAnnotations.remove("features");\r
+                 } catch (java.lang.NullPointerException e)\r
+                 {\r
+                   // loggerwarn("Getting Features for " + acc + ": " +\r
+                   // e.getMessage());\r
+                   // continue;\r
+                 }\r
+                 // if we have features\r
+                 if (features != null)\r
+                 {\r
+                   int posmap[] = seqO.findPositionMap();\r
+                   Enumeration i = features.keys();\r
+                   while (i.hasMoreElements())\r
+                   {\r
+                     // TODO: parse out secondary structure annotation as annotation\r
+                     // row\r
+                     // TODO: parse out scores as annotation row\r
+                     // TODO: map coding region to core jalview feature types\r
+                     String type = i.nextElement().toString();\r
+                     Hashtable content = (Hashtable) features.remove(type);\r
+                     Enumeration j = content.keys();\r
+                     while (j.hasMoreElements())\r
+                     {\r
+                       String desc = j.nextElement().toString();\r
+                       String ns = content.get(desc).toString();\r
+                       char[] byChar = ns.toCharArray();\r
+                       for (int k = 0; k < byChar.length; k++)\r
+                       {\r
+                         char c = byChar[k];\r
+                         if (!(c == ' ' || c == '_' || c == '-' || c == '.')) // PFAM\r
+                         // uses\r
+                         // '.'\r
+                         // for\r
+                         // feature\r
+                         // background\r
+                         {\r
+                           int new_pos = posmap[k]; // look up nearest seqeunce\r
+                           // position to this column\r
+                           SequenceFeature feat = new SequenceFeature(type, desc,\r
+                                   new_pos, new_pos, 0f, null);\r
+       \r
+                           seqO.addSequenceFeature(feat);\r
+                         }\r
+                       }\r
+                     }\r
+       \r
+                   }\r
+       \r
+                 }\r
+                 // garbage collect\r
+       \r
+                 // logger.debug("Adding seq " + acc + " from " + start + " to " + end\r
+                 // + ": " + seq);\r
+                 this.seqs.addElement(seqO);\r
+               }\r
+               return; // finished parsing this segment of source\r
+             }\r
+             else if (!r.search(line))\r
+             {\r
+               // System.err.println("Found sequence line: " + line);\r
+       \r
+               // Split sequence in sequence and accession parts\r
+               if (!x.search(line))\r
+               {\r
+                 // logger.error("Could not parse sequence line: " + line);\r
+                 throw new IOException("Could not parse sequence line: " + line);\r
+               }\r
+               String ns = (String) seqs.get(x.stringMatched(1));\r
+               if (ns == null)\r
+               {\r
+                 ns = "";\r
+               }\r
+               ns += x.stringMatched(2);\r
+       \r
+               seqs.put(x.stringMatched(1), ns);\r
+             }\r
+             else\r
+             {\r
+               String annType = r.stringMatched(1);\r
+               String annContent = r.stringMatched(2);\r
+       \r
+               // System.err.println("type:" + annType + " content: " + annContent);\r
+       \r
+               if (annType.equals("GF"))\r
+               {\r
+                 /*\r
+                  * Generic per-File annotation, free text Magic features: #=GF NH\r
+                  * <tree in New Hampshire eXtended format> #=GF TN <Unique identifier\r
+                  * for the next tree> Pfam descriptions: 7. DESCRIPTION OF FIELDS\r
+                  * \r
+                  * Compulsory fields: ------------------\r
+                  * \r
+                  * AC Accession number: Accession number in form PFxxxxx.version or\r
+                  * PBxxxxxx. ID Identification: One word name for family. DE\r
+                  * Definition: Short description of family. AU Author: Authors of the\r
+                  * entry. SE Source of seed: The source suggesting the seed members\r
+                  * belong to one family. GA Gathering method: Search threshold to\r
+                  * build the full alignment. TC Trusted Cutoff: Lowest sequence score\r
+                  * and domain score of match in the full alignment. NC Noise Cutoff:\r
+                  * Highest sequence score and domain score of match not in full\r
+                  * alignment. TP Type: Type of family -- presently Family, Domain,\r
+                  * Motif or Repeat. SQ Sequence: Number of sequences in alignment. AM\r
+                  * Alignment Method The order ls and fs hits are aligned to the model\r
+                  * to build the full align. // End of alignment.\r
+                  * \r
+                  * Optional fields: ----------------\r
+                  * \r
+                  * DC Database Comment: Comment about database reference. DR Database\r
+                  * Reference: Reference to external database. RC Reference Comment:\r
+                  * Comment about literature reference. RN Reference Number: Reference\r
+                  * Number. RM Reference Medline: Eight digit medline UI number. RT\r
+                  * Reference Title: Reference Title. RA Reference Author: Reference\r
+                  * Author RL Reference Location: Journal location. PI Previous\r
+                  * identifier: Record of all previous ID lines. KW Keywords: Keywords.\r
+                  * CC Comment: Comments. NE Pfam accession: Indicates a nested domain.\r
+                  * NL Location: Location of nested domains - sequence ID, start and\r
+                  * end of insert.\r
+                  * \r
+                  * Obsolete fields: ----------- AL Alignment method of seed: The\r
+                  * method used to align the seed members.\r
+                  */\r
+                 // Let's save the annotations, maybe we'll be able to do something\r
+                 // with them later...\r
+                 Regex an = new Regex("(\\w+)\\s*(.*)");\r
+                 if (an.search(annContent))\r
+                 {\r
+                   if (an.stringMatched(1).equals("NH"))\r
+                   {\r
+                     treeString.append(an.stringMatched(2));\r
+                   }\r
+                   else if (an.stringMatched(1).equals("TN"))\r
+                   {\r
+                     if (treeString.length() > 0)\r
+                     {\r
+                       if (treeName == null)\r
+                       {\r
+                         treeName = "Tree " + (getTreeCount() + 1);\r
+                       }\r
+                       addNewickTree(treeName, treeString.toString());\r
+                     }\r
+                     treeName = an.stringMatched(2);\r
+                     treeString = new StringBuffer();\r
+                   }\r
+                   setAlignmentProperty(an.stringMatched(1), an.stringMatched(2));\r
+                 }\r
+               }\r
+               else if (annType.equals("GS"))\r
+               {\r
+                 // Generic per-Sequence annotation, free text\r
+                 /*\r
+                  * Pfam uses these features: Feature Description ---------------------\r
+                  * ----------- AC <accession> ACcession number DE <freetext>\r
+                  * DEscription DR <db>; <accession>; Database Reference OS <organism>\r
+                  * OrganiSm (species) OC <clade> Organism Classification (clade, etc.)\r
+                  * LO <look> Look (Color, etc.)\r
+                  */\r
+                 if (s.search(annContent))\r
+                 {\r
+                   String acc = s.stringMatched(1);\r
+                   String type = s.stringMatched(2);\r
+                   String content = s.stringMatched(3);\r
+                   // TODO: store DR in a vector.\r
+                   // TODO: store AC according to generic file db annotation.\r
+                   Hashtable ann;\r
+                   if (seqAnn.containsKey(acc))\r
+                   {\r
+                     ann = (Hashtable) seqAnn.get(acc);\r
+                   }\r
+                   else\r
+                   {\r
+                     ann = new Hashtable();\r
+                   }\r
+                   ann.put(type, content);\r
+                   seqAnn.put(acc, ann);\r
+                 }\r
+                 else\r
+                 {\r
+                   throw new IOException("Error parsing " + line);\r
+                 }\r
+               }\r
+               else if (annType.equals("GC"))\r
+               {\r
+                 // Generic per-Column annotation, exactly 1 char per column\r
+                 // always need a label.\r
+                 if (x.search(annContent))\r
+                 {\r
+                   // parse out and create alignment annotation directly.\r
+                   parseAnnotationRow(annotations, x.stringMatched(1),\r
+                           x.stringMatched(2));\r
+                 }\r
+               }\r
+               else if (annType.equals("GR"))\r
+               {\r
+                 // Generic per-Sequence AND per-Column markup, exactly 1 char per\r
+                 // column\r
+                 /*\r
+                  * Feature Description Markup letters ------- -----------\r
+                  * -------------- SS Secondary Structure [HGIEBTSCX] SA Surface\r
+                  * Accessibility [0-9X] (0=0%-10%; ...; 9=90%-100%) TM TransMembrane\r
+                  * [Mio] PP Posterior Probability [0-9*] (0=0.00-0.05; 1=0.05-0.15;\r
+                  * *=0.95-1.00) LI LIgand binding [*] AS Active Site [*] IN INtron (in\r
+                  * or after) [0-2]\r
+                  */\r
+                 if (s.search(annContent))\r
+                 {\r
+                   String acc = s.stringMatched(1);\r
+                   String type = s.stringMatched(2);\r
+                   String seq = new String(s.stringMatched(3));\r
+                   String description = null;\r
+                   // Check for additional information about the current annotation\r
+                   // We use a simple string tokenizer here for speed\r
+                   StringTokenizer sep = new StringTokenizer(seq, " \t");\r
+                   description = sep.nextToken();\r
+                   if (sep.hasMoreTokens())\r
+                   {\r
+                     seq = sep.nextToken();\r
+                   }\r
+                   else\r
+                   {\r
+                     seq = description;\r
+                     description = new String();\r
+                   }\r
+                   // sequence id with from-to fields\r
+       \r
+                   Hashtable ann;\r
+                   // Get an object with all the annotations for this sequence\r
+                   if (seqAnn.containsKey(acc))\r
+                   {\r
+                     // logger.debug("Found annotations for " + acc);\r
+                     ann = (Hashtable) seqAnn.get(acc);\r
+                   }\r
+                   else\r
+                   {\r
+                     // logger.debug("Creating new annotations holder for " + acc);\r
+                     ann = new Hashtable();\r
+                     seqAnn.put(acc, ann);\r
+                   }\r
+                   //TODO test structure, call parseAnnotationRow with vector from hashtable for specific sequence\r
+                   Hashtable features;\r
+                   // Get an object with all the content for an annotation\r
+                   if (ann.containsKey("features"))\r
+                   {\r
+                     // logger.debug("Found features for " + acc);\r
+                     features = (Hashtable) ann.get("features");\r
+                   }\r
+                   else\r
+                   {\r
+                     // logger.debug("Creating new features holder for " + acc);\r
+                     features = new Hashtable();\r
+                     ann.put("features", features);\r
+                   }\r
+       \r
+                   Hashtable content;\r
+                   if (features.containsKey(this.id2type(type)))\r
+                   {\r
+                     // logger.debug("Found content for " + this.id2type(type));\r
+                     content = (Hashtable) features.get(this.id2type(type));\r
+                   }\r
+                   else\r
+                   {\r
+                     // logger.debug("Creating new content holder for " +\r
+                     // this.id2type(type));\r
+                     content = new Hashtable();\r
+                     features.put(this.id2type(type), content);\r
+                   }\r
+                   String ns = (String) content.get(description);\r
+                   if (ns == null)\r
+                   {\r
+                     ns = "";\r
+                   }\r
+                   ns += seq;\r
+                   content.put(description, ns);\r
+       
+                   if(type.equals("SS")){\r
+                       Hashtable strucAnn;\r
+                       if (seqAnn.containsKey(acc))\r
+                       {\r
+                         strucAnn = (Hashtable) seqAnn.get(acc);\r
+                       }\r
+                       else\r
+                       {\r
+                         strucAnn = new Hashtable();\r
+                       }\r
+                       \r
+                       Vector newStruc=new Vector();\r
+                       parseAnnotationRow(newStruc, type,ns);\r
+                       \r
+                       strucAnn.put(type, newStruc);\r
+                       seqAnn.put(acc, strucAnn);\r
+                    }\r
+                 }\r
+                       else\r
+                       {\r
+                                               System.err\r
+                                               .println("Warning - couldn't parse sequence annotation row line:\n"\r
+                                               + line);\r
+                       // throw new IOException("Error parsing " + line);\r
+                       }\r
+                       }\r
+                       else\r
+                       {\r
+                       throw new IOException("Unknown annotation detected: " + annType\r
+                               + " " + annContent);\r
+                       }\r
+                       }\r
+               }\r
+               if (treeString.length() > 0)\r
+               {\r
+               if (treeName == null)\r
+               {\r
+                       treeName = "Tree " + (1 + getTreeCount());\r
+               }\r
+               addNewickTree(treeName, treeString.toString());\r
+               }\r
+       }\r
+\r
+\r
+  /**\r
+   * Parse a file in Stockholm format into Jalview's data model using VARNA\r
+   * \r
+   * @throws IOException\r
+   *           If there is an error with the input file\r
+   */\r
+  public void parse_with_VARNA() throws IOException\r
+  {\r
     FileReader fr = null;\r
     fr = new FileReader(inFile);\r
 \r
@@ -291,4 +752,4 @@ public class StockholmFile extends AlignFile
     dataName = dataName.substring(1, e).trim();\r
     return dataName;\r
   }\r
-}
\ No newline at end of file
+}\r