package jalview.ws; import org.apache.axis.client.*; import javax.xml.namespace.QName; import java.util.*; import jalview.datamodel.*; import jalview.gui.*; import javax.swing.*; import java.util.*; import java.awt.*; import jalview.analysis.AlignSeq; import ext.vamsas.*; public class JPredClient extends WSClient { ext.vamsas.JPredWS server; String altitle = ""; java.util.Hashtable SequenceInfo = null; private void setWebService() { WebServiceName = "JNetWS"; WebServiceJobTitle = "JNet secondary structure prediction"; WebServiceReference="\"Cuff J. A and Barton G.J (1999) Application of enhanced " + "multiple sequence alignment profiles to improve protein secondary structure prediction, " + "Proteins 40:502-511\"."; WsURL="http://www.compbio.dundee.ac.uk/JalviewWS/services/jpred"; } public JPredClient(String title, SequenceI[] msf) { wsInfo = new WebserviceInfo(WebServiceJobTitle, WebServiceReference); SequenceI seq = msf[0]; altitle = "JNet prediction on "+seq.getName()+" using alignment from "+title; wsInfo.setProgressText("Job details for MSA based prediction ("+title+") on sequence :\n>" + seq.getName() + "\n" + AlignSeq.extractGaps("-. ",seq.getSequence()) + "\n"); SequenceInfo = jalview.analysis.SeqsetUtils.SeqCharacterHash(seq); JPredWSServiceLocator loc = new JPredWSServiceLocator(); // Default // JBPNote url will be set from properties try { this.server = loc.getjpred(new java.net.URL(WsURL)); } catch (Exception ex) { JOptionPane.showMessageDialog(Desktop.desktop, "The Secondary Structure Prediction Service named " +WebServiceName+" at "+WsURL+" couldn't be located.", "Internal Jalview Error", JOptionPane.WARNING_MESSAGE); wsInfo.setProgressText("Serious! "+WebServiceName+" Service location failed\nfor URL :" +WsURL+"\n"+ex.getMessage()); } JPredThread jthread = new JPredThread(msf); jthread.start(); } public JPredClient(String title, SequenceI seq) { setWebService(); wsInfo = new WebserviceInfo(WebServiceJobTitle, WebServiceReference); wsInfo.setProgressText("Job details for prediction on sequence :\n>" + seq.getName() + "\n" + AlignSeq.extractGaps("-. ",seq.getSequence()) + "\n"); altitle = "JNet prediction for sequence "+seq.getName()+" from "+title; SequenceInfo = jalview.analysis.SeqsetUtils.SeqCharacterHash(seq); JPredWSServiceLocator loc = new JPredWSServiceLocator(); // Default try { this.server = loc.getjpred(new java.net.URL(WsURL)); // JBPNote will be set from properties } catch (Exception ex) { JOptionPane.showMessageDialog(Desktop.desktop, "The Secondary Structure Prediction Service named " +WebServiceName+" at "+WsURL+" couldn't be located.", "Internal Jalview Error", JOptionPane.WARNING_MESSAGE); wsInfo.setProgressText("Serious! "+WebServiceName+" Service location failed\nfor URL :" +WsURL+"\n"+ex.getMessage()); } JPredThread jthread = new JPredThread(seq); jthread.start(); } class JPredThread extends Thread { String OutputHeader; ext.vamsas.JpredResult result; ext.vamsas.Sequence sequence; ext.vamsas.Msfalignment msa; String jobId; boolean jobComplete = false; int allowedServerExceptions = 3; // thread dies if too many exceptions. JPredThread(SequenceI seq) { OutputHeader = wsInfo.getProgressText(); this.sequence = new ext.vamsas.Sequence(); this.sequence.setId(seq.getName()); this.sequence.setSeq(AlignSeq.extractGaps("-. ",seq.getSequence())); } JPredThread(SequenceI[] msf) { OutputHeader = wsInfo.getProgressText(); this.sequence = new ext.vamsas.Sequence(); this.sequence.setId(msf[0].getName()); this.sequence.setSeq(AlignSeq.extractGaps("-. ",msf[0].getSequence())); jalview.io.MSFfile mwrite = new jalview.io.MSFfile(); this.msa = new ext.vamsas.Msfalignment(); msa.setMsf(mwrite.print(msf)); } public void run() { StartJob(); while (!jobComplete && (allowedServerExceptions > 0)) { try { result = server.getresult(jobId); if( result.isRunning() ) wsInfo.setStatus(WebserviceInfo.STATE_RUNNING); else if( result.isQueued() ) wsInfo.setStatus(WebserviceInfo.STATE_QUEUING); if (result.isFinished()) { parseResult(); jobComplete = true; jobsRunning--; } else { wsInfo.setProgressText(OutputHeader + "\n" + result.getStatus()); if (! (result.isJobFailed() || result.isServerError())) { Thread.sleep(5000); // System.out.println("I'm alive "+seqid+" "+jobid); } else { wsInfo.setStatus(WebserviceInfo.STATE_STOPPED_ERROR); } } } catch (Exception ex) { allowedServerExceptions--; wsInfo.appendProgressText("\nJPredWS Server exception!\n" + ex.getMessage()); } } if (! (result.isJobFailed() || result.isServerError())) wsInfo.setStatus(WebserviceInfo.STATE_STOPPED_OK); else wsInfo.setStatus(WebserviceInfo.STATE_STOPPED_ERROR); } void StartJob() { try { if (msa!=null) { jobId = server.predictOnMsa(msa); } else { jobId = server.predict(sequence); } System.out.println(WsURL+" Job Id '"+jobId+"'"); } catch (Exception e) { System.err.println("JPredWS Client: Failed to submit the prediction\n" + e.toString() + "\n"); e.printStackTrace(); } } private void addFloatAnnotations(Alignment al, int[] gapmap, Vector values, String Symname, String Visname, float min, float max, int winLength) { Annotation[] annotations = new Annotation[al.getWidth()]; for (int j = 0; j < values.size(); j++) { float value = Float.parseFloat(values.get(j).toString()); annotations[gapmap[j]] = new Annotation("", value+"",' ',value); } al.addAnnotation(new AlignmentAnnotation(Symname, Visname, annotations, min, max, winLength)); } void parseResult() { // OutputHeader = output.getText(); if (result.isFailed()) { OutputHeader +="Job failed.\n"; } if (result.getStatus()!=null) { OutputHeader += "\n"+result.getStatus(); } if (result.getPredfile()!=null) { OutputHeader += "\n"+result.getPredfile(); // JBPNote The returned files from a webservice could be hidden behind icons in the monitor window that, when clicked, pop up their corresponding data } if (result.getAligfile()!=null) { OutputHeader += "\n"+result.getAligfile(); } wsInfo.setProgressText(OutputHeader); try { // JPredFile prediction = new JPredFile("C:/JalviewX/files/jpred.txt", "File"); jalview.io.JPredFile prediction = new jalview.io.JPredFile(result.getPredfile(), "Paste"); SequenceI[] preds = prediction.getSeqsAsArray(); Alignment al; int FirstSeq; // the position of the query sequence in Alignment al boolean noMsa = true; // set if no MSA has been returned by JPred if (this.msa!=null && result.getAligfile()!=null) { // we ignore the returned alignment if we only predicted on a single sequence String format = jalview.io.IdentifyFile.Identify(result.getAligfile(), "Paste"); if (jalview.io.FormatAdapter.formats.contains(format)) { al = new Alignment(jalview.io.FormatAdapter.readFile(result.getAligfile(),"Paste",format)); noMsa = false; FirstSeq = 0; } else { throw (new Exception("Unknown format 'format' for file : \n" + result.getAligfile())); } } else { al = new Alignment(preds); FirstSeq = prediction.getQuerySeqPosition(); } if (!jalview.analysis.SeqsetUtils.SeqCharacterUnhash(al.getSequenceAt(FirstSeq), SequenceInfo)) throw (new Exception("Couldn't recover sequence properties for JNet Query sequence!")); AlignmentAnnotation annot; Annotation [] annotations = null; int i = 0; int width = preds[0].getSequence().length(); int[] gapmap = al.getSequenceAt(FirstSeq).gapMap(); if (gapmap.length!=width) { throw (new Exception("Jnet Client Error\nNumber of residues in supposed query sequence :\n" +al.getSequenceAt(FirstSeq).getName()+"\n" +al.getSequenceAt(FirstSeq).getSequence() +"\nDiffer from number of prediction sites in \n"+result.getPredfile()+"\n")); } // JBPNote Should also rename the query sequence sometime... i=0; while (i < preds.length) { String id = preds[i].getName().toUpperCase(); if(id.startsWith("LUPAS") || id.startsWith("JNET") || id.startsWith("JPRED")) { annotations = new Annotation[al.getWidth()]; if(id.equals("JNETPRED") || id.equals("JNETPSSM") || id.equals("JNETFREQ") || id.equals("JNETHMM") || id.equals("JNETALIGN") || id.equals("JPRED")) { for (int j = 0; j < width; j++) annotations[gapmap[j]] = new Annotation("", "", preds[i].getCharAt(j), 0); } else if(id.equals("JNETCONF")) { for (int j = 0; j < width; j++) { float value = Float.parseFloat(preds[i].getCharAt(j)+""); annotations[gapmap[j]] = new Annotation(preds[i].getCharAt(j)+"", "",preds[i].getCharAt(j),value); } } else { for (int j = 0; j < width; j++) { annotations[gapmap[j]] = new Annotation(preds[i].getCharAt(j)+"", "", ' ', 0); } } if(id.equals("JNETCONF")) annot = new AlignmentAnnotation(preds[i].getName(), "JNet Output", annotations,0f,10f,1); else annot = new AlignmentAnnotation(preds[i].getName(), "JNet Output", annotations); al.addAnnotation(annot); if (noMsa) al.deleteSequence(preds[i]); } i++; } Hashtable scores = prediction.getScores(); /* addFloatAnnotations(al, gapmap, (Vector)scores.get("JNETPROPH"), "JnetpropH", "Jnet Helix Propensity", 0f,1f,1); addFloatAnnotations(al, gapmap, (Vector)scores.get("JNETPROPB"), "JnetpropB", "Jnet Beta Sheet Propensity", 0f,1f,1); addFloatAnnotations(al, gapmap, (Vector)scores.get("JNETPROPC"), "JnetpropC", "Jnet Coil Propensity", 0f,1f,1); */ AlignFrame af = new AlignFrame(al); Desktop.addInternalFrame(af, altitle, AlignFrame.NEW_WINDOW_WIDTH, AlignFrame.NEW_WINDOW_HEIGHT); }catch(Exception ex){ex.printStackTrace();} } } }