/* * Jalview - A Sequence Alignment Editor and Viewer * Copyright (C) 2005 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 */ /** * PredFile.java * JalviewX / Vamsas Project * JPred.seq.concise reader */ package jalview.io; import jalview.datamodel.*; import jalview.util.*; import java.io.*; import java.util.*; public class JPredFile extends AlignFile { Vector ids; Vector conf; Hashtable Scores; // Hash of names and score vectors Hashtable Symscores; // indexes of symbol annotation properties in sequenceI vector private int QuerySeqPosition; public JPredFile(String inStr) { super(inStr); } public JPredFile(String inFile, String type) throws IOException { super(inFile, type); } public void setQuerySeqPosition(int QuerySeqPosition) { this.QuerySeqPosition = QuerySeqPosition; } public int getQuerySeqPosition() { return QuerySeqPosition; } public Hashtable getScores() { return Scores; } public Hashtable getSymscores() { return Symscores; } public void initData() { super.initData(); Scores = new Hashtable(); ids = null; conf = null; } /** * parse a JPred concise file into a sequence-alignment like object. */ public void parse() throws IOException { // JBPNote log.System.out.println("all read in "); String line; QuerySeqPosition = -1; noSeqs = 0; Vector seq_entries = new Vector(); Vector ids = new Vector(); Hashtable Symscores = new Hashtable(); while ((line = nextLine()) != null) { // Concise format allows no comments or non comma-formatted data StringTokenizer str = new StringTokenizer(line, ":"); String id = ""; if (!str.hasMoreTokens()) { continue; } id = str.nextToken(); String seqsym = str.nextToken(); StringTokenizer symbols = new StringTokenizer(seqsym, ","); // decide if we have more than just alphanumeric symbols int numSymbols = symbols.countTokens(); if (numSymbols == 0) { continue; } if (seqsym.length() != (2 * numSymbols)) { // Set of scalars for some property if (Scores.containsKey(id)) { int i = 1; while (Scores.containsKey(id + "_" + i)) { i++; } id = id + "_" + i; } Vector scores = new Vector(); // Typecheck from first entry int i = 0; String ascore = "dead"; try { // store elements as floats... while (symbols.hasMoreTokens()) { ascore = symbols.nextToken(); Float score = new Float(ascore); scores.addElement((Object) score); } Scores.put(id, scores); } catch (Exception e) { // or just keep them as strings i = scores.size(); for (int j = 0; j < i; j++) { scores.set(j, (Object) ((Float) scores.get(j)).toString()); } scores.addElement((Object) ascore); while (symbols.hasMoreTokens()) { ascore = symbols.nextToken(); scores.addElement((Object) ascore); } Scores.put(id, scores); } } else if (id.equals("jnetconf")) { // log.debug System.out.println("here"); id = "Prediction Confidence"; this.conf = new Vector(numSymbols); for (int i = 0; i < numSymbols; i++) { conf.set(i, (Object) symbols.nextToken()); } } else { // Sequence or a prediction string (rendered as sequence) StringBuffer newseq = new StringBuffer(); for (int i = 0; i < numSymbols; i++) { newseq.append(symbols.nextToken()); } if (id.indexOf(";") > -1) { seq_entries.addElement(newseq); int i = 1; String name = id.substring(id.indexOf(";") + 1); while (ids.lastIndexOf(name) > -1) { name = id.substring(id.indexOf(";") + 1) + "_" + 1; } ids.addElement(name); noSeqs++; } else { if (id.equals("JNETPRED")) { id = "Predicted Secondary Structure"; } seq_entries.addElement(newseq.toString()); ids.addElement(id); Symscores.put((Object) id, (Object) new Integer(ids.size() - 1)); } } } if (noSeqs < 1) { throw new IOException( "JpredFile Parser: No sequence in the prediction!"); } maxLength = seq_entries.elementAt(0).toString().length(); for (int i = 0; i < ids.size(); i++) { // Add all sequence like objects Sequence newSeq = new Sequence(ids.elementAt(i).toString(), seq_entries.elementAt(i).toString(), 1, seq_entries.elementAt(i).toString().length()); if (!Symscores.containsKey(ids.elementAt(i)) && !isValidProteinSequence(newSeq.getSequence())) { throw new IOException( "JPredConcise: Not a valid protein sequence - (" + ids.elementAt(i).toString() + ")"); } if (maxLength != seq_entries.elementAt(i).toString().length()) { throw new IOException("JPredConcise: Entry (" + ids.elementAt(i).toString() + ") has an unexpected number of columns"); } if (newSeq.getName().startsWith("QUERY") && (QuerySeqPosition == -1)) { QuerySeqPosition = seqs.size(); } seqs.addElement(newSeq); } } /** * print * * @return String */ public String print() { return "Not Supported"; } public static void main(String[] args) { try { JPredFile blc = new JPredFile(args[0], "File"); for (int i = 0; i < blc.seqs.size(); i++) { System.out.println(((Sequence) blc.seqs.elementAt(i)).getName() + "\n" + ((Sequence) blc.seqs.elementAt(i)).getSequence() + "\n"); } } catch (java.io.IOException e) { System.err.println("Exception " + e); e.printStackTrace(); } } } /* StringBuffer out = new StringBuffer(); out.append("START PRED\n"); for (int i = 0; i < s[0].sequence.length(); i++) { out.append(s[0].sequence.substring(i, i + 1) + " "); out.append(s[1].sequence.substring(i, i + 1) + " "); out.append(s[1].score[0].elementAt(i) + " "); out.append(s[1].score[1].elementAt(i) + " "); out.append(s[1].score[2].elementAt(i) + " "); out.append(s[1].score[3].elementAt(i) + " "); out.append("\n"); } out.append("END PRED\n"); return out.toString(); } public static void main(String[] args) { try { BLCFile blc = new BLCFile(args[0], "File"); DrawableSequence[] s = new DrawableSequence[blc.seqs.size()]; for (int i = 0; i < blc.seqs.size(); i++) { s[i] = new DrawableSequence( (Sequence) blc.seqs.elementAt(i)); } String out = BLCFile.print(s); AlignFrame af = new AlignFrame(null, s); af.resize(700, 500); af.show(); System.out.println(out); } catch (java.io.IOException e) { System.out.println("Exception " + e); } } } */