/* * Copyright (c) 2011 Peter Troshin JAva Bioinformatics Analysis Web Services * (JABAWS) @version: 2.0 This library is free software; you can redistribute it * and/or modify it under the terms of the Apache License version 2 as published * by the Apache Software Foundation This library 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 * Apache License for more details. A copy of the license is in * apache_license.txt. It is also available here: * @see: http://www.apache.org/licenses/LICENSE-2.0.txt Any republication or * derived work distributed in source code form must include this copyright and * license notice. */ package compbio.runner.disorder; import java.io.File; import java.io.FileInputStream; import java.io.FileNotFoundException; import java.io.IOException; import java.io.InputStream; import org.apache.log4j.Logger; import compbio.data.sequence.ScoreManager; import compbio.data.sequence.SequenceUtil; import compbio.data.sequence.UnknownFileFormatException; import compbio.engine.client.PipedExecutable; import compbio.engine.client.SkeletalExecutable; import compbio.metadata.ResultNotAvailableException; import compbio.runner.Util; /** * DisEMBL.py smooth_frame peak_frame join_frame fold_coils fold_hotloops * fold_rem465 sequence_file print * * 'A default run would be: ./DisEMBL.py 8 8 4 1.2 1.4 1.2 fasta_file > out' * * This version of DisEMBL is 1.4 (latest available for download in Feb 2011) * capable of outputting raw values * * The values of the parameters are hard coded in DisEMBL.py script. * smooth_frame=8 peak_frame=8 join_frame=4 fold_coils=1.2 fold_hotloops=1.4 * fold_rem465=1.2 * * Changing these values are not recommended by developers, apart from smoothing * window. However, 5 orders of magnitude changes in this parameter does not * change the output so allowing this change also seems pointless. Finally, the * binary, DisEMBL depends on - Tisean is not happy with arbitruary changes to * these values, so changing them can lead to problems. * * * This is not a standard DisEMBL! The script has been modified! * */ public class Disembl extends SkeletalExecutable implements PipedExecutable { private static Logger log = Logger.getLogger(Disembl.class); public static final String KEY_VALUE_SEPARATOR = Util.SPACE; /** * For the region to be considered disordered the values must exceed these */ public final double COILS_EXPECTATION_THRESHOLD = 0.43; public final double REM_EXPECTATION_THRESHOLD = 0.5; public final double LOOPS_EXPECTATION_THRESHOLD = 0.086; /* The parameter list there must not contain same values! */ public Disembl() { // remove default input to prevent it to appear in the parameters list // that could happen if the parameters are set first // super.setInput(""); } @SuppressWarnings("unchecked") @Override public ScoreManager getResults(String workDirectory) throws ResultNotAvailableException { InputStream inStream = null; ScoreManager results = null; try { inStream = new FileInputStream(new File(workDirectory, getOutput())); results = ScoreManager.newInstance(SequenceUtil .readDisembl(inStream)); inStream.close(); } catch (FileNotFoundException e) { log.error(e.getMessage(), e.getCause()); throw new ResultNotAvailableException(e); } catch (IOException e) { log.error(e.getMessage(), e.getCause()); throw new ResultNotAvailableException(e); } catch (UnknownFileFormatException e) { log.error(e.getMessage(), e.getCause()); throw new ResultNotAvailableException(e); } catch (NullPointerException e) { log.error(e.getMessage(), e.getCause()); throw new ResultNotAvailableException(e); } log.trace("DRESULTS: " + results); return results; } @Override public Disembl setInput(String inFile) { super.setInput(inFile); cbuilder.setLast(inFile); return this; } @SuppressWarnings("unchecked") @Override public Class getType() { return (Class) this.getClass(); } }