X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fws%2Fjws2%2FAADisorderClient.java;h=d955db544b2edd037a158ea084eebd518a195657;hb=17e77c3f2949a0729322b4a8d907f3f34b6a9914;hp=d64a9564034aec46c92b87048fa638194d2c729a;hpb=ad20cd92225f2ee8c251d39b00b90555d382a616;p=jalview.git diff --git a/src/jalview/ws/jws2/AADisorderClient.java b/src/jalview/ws/jws2/AADisorderClient.java index d64a956..d955db5 100644 --- a/src/jalview/ws/jws2/AADisorderClient.java +++ b/src/jalview/ws/jws2/AADisorderClient.java @@ -1,25 +1,28 @@ /* - * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8) - * Copyright (C) 2012 J Procter, AM Waterhouse, LM Lui, J Engelhardt, G Barton, M Clamp, S Searle + * Jalview - A Sequence Alignment Editor and Viewer (Version 2.9) + * Copyright (C) 2015 The Jalview Authors * * This file is part of Jalview. * * Jalview 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 3 of the License, or (at your option) any later version. + * as published by the Free Software Foundation, either version 3 + * of the License, or (at your option) any later version. * * Jalview 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 Jalview. If not, see . + * You should have received a copy of the GNU General Public License + * along with Jalview. If not, see . + * The Jalview Authors are detailed in the 'AUTHORS' file. */ package jalview.ws.jws2; import jalview.api.AlignCalcWorkerI; +import jalview.bin.Cache; import jalview.datamodel.AlignmentAnnotation; - import jalview.datamodel.GraphLine; import jalview.datamodel.SequenceFeature; import jalview.datamodel.SequenceI; @@ -36,17 +39,21 @@ import java.util.Hashtable; import java.util.Iterator; import java.util.List; import java.util.Map; + +import compbio.data.sequence.FastaSequence; import compbio.data.sequence.Range; import compbio.data.sequence.Score; import compbio.data.sequence.ScoreManager.ScoreHolder; import compbio.metadata.Argument; -public class AADisorderClient extends JabawsAlignCalcWorker implements +public class AADisorderClient extends JabawsCalcWorker implements AlignCalcWorkerI { private static final String THRESHOLD = "THRESHOLD"; + private static final String RANGE = "RANGE"; + String typeName; String methodName; @@ -76,6 +83,12 @@ public class AADisorderClient extends JabawsAlignCalcWorker implements return "Submitting amino acid sequences for disorder prediction."; } + @Override + boolean checkValidInputSeqs(boolean dynamic, List seqs) + { + return (seqs.size() > 0); + } + private static Map> featureMap; private static Map>> annotMap; @@ -91,32 +104,30 @@ public class AADisorderClient extends JabawsAlignCalcWorker implements Map fmap; featureMap.put(compbio.ws.client.Services.IUPredWS.toString(), fmap = new HashMap()); - fmap.put("Glob", new String[] - { "Globular Domain", "Predicted globular domain" }); + fmap.put("Glob", new String[] { "Globular Domain", + "Predicted globular domain" }); featureMap.put(compbio.ws.client.Services.JronnWS.toString(), fmap = new HashMap()); featureMap.put(compbio.ws.client.Services.DisemblWS.toString(), fmap = new HashMap()); - fmap.put("REM465", new String[] - { "REM465", "Missing density" }); - fmap.put("HOTLOOPS", new String[] - { "HOTLOOPS", "Flexible loops" }); - fmap.put("COILS", new String[] - { "COILS", "Random coil" }); + fmap.put("REM465", new String[] { "REM465", "Missing density" }); + fmap.put("HOTLOOPS", new String[] { "HOTLOOPS", "Flexible loops" }); + fmap.put("COILS", new String[] { "COILS", "Random coil" }); featureMap.put(compbio.ws.client.Services.GlobPlotWS.toString(), fmap = new HashMap()); - fmap.put("GlobDoms", new String[] - { "Globular Domain", "Predicted globular domain" }); - fmap.put("Disorder", new String[] - { "Protein Disorder", "Probable unstructured peptide region" }); + fmap.put("GlobDoms", new String[] { "Globular Domain", + "Predicted globular domain" }); + fmap.put("Disorder", new String[] { "Protein Disorder", + "Probable unstructured peptide region" }); Map> amap; annotMap = new HashMap>>(); annotMap.put(compbio.ws.client.Services.GlobPlotWS.toString(), amap = new HashMap>()); amap.put("Dydx", new HashMap()); amap.get("Dydx").put(DONTCOMBINE, DONTCOMBINE); - amap.get("Dydx").put(THRESHOLD, new double[] - { 1, 0 }); + amap.get("Dydx").put(THRESHOLD, new double[] { 1, 0 }); + amap.get("Dydx").put(RANGE, new float[] { -1, +1 }); + amap.put("SmoothedScore", new HashMap()); amap.get("SmoothedScore").put(INVISIBLE, INVISIBLE); amap.put("RawScore", new HashMap()); @@ -126,26 +137,27 @@ public class AADisorderClient extends JabawsAlignCalcWorker implements amap.put("COILS", new HashMap()); amap.put("HOTLOOPS", new HashMap()); amap.put("REM465", new HashMap()); - amap.get("COILS").put(THRESHOLD, new double[] - { 1, 0.516 }); - amap.get("HOTLOOPS").put(THRESHOLD, new double[] - { 1, 0.6 }); - amap.get("REM465").put(THRESHOLD, new double[] - { 1, 0.1204 }); + amap.get("COILS").put(THRESHOLD, new double[] { 1, 0.516 }); + amap.get("COILS").put(RANGE, new float[] { 0, 1 }); + + amap.get("HOTLOOPS").put(THRESHOLD, new double[] { 1, 0.6 }); + amap.get("HOTLOOPS").put(RANGE, new float[] { 0, 1 }); + amap.get("REM465").put(THRESHOLD, new double[] { 1, 0.1204 }); + amap.get("REM465").put(RANGE, new float[] { 0, 1 }); annotMap.put(compbio.ws.client.Services.IUPredWS.toString(), amap = new HashMap>()); amap.put("Long", new HashMap()); amap.put("Short", new HashMap()); - amap.get("Long").put(THRESHOLD, new double[] - { 1, 0.5 }); - amap.get("Short").put(THRESHOLD, new double[] - { 1, 0.5 }); + amap.get("Long").put(THRESHOLD, new double[] { 1, 0.5 }); + amap.get("Long").put(RANGE, new float[] { 0, 1 }); + amap.get("Short").put(THRESHOLD, new double[] { 1, 0.5 }); + amap.get("Short").put(RANGE, new float[] { 0, 1 }); annotMap.put(compbio.ws.client.Services.JronnWS.toString(), amap = new HashMap>()); amap.put("JRonn", new HashMap()); - amap.get("JRonn").put(THRESHOLD, new double[] - { 1, 0.5 }); + amap.get("JRonn").put(THRESHOLD, new double[] { 1, 0.5 }); + amap.get("JRonn").put(RANGE, new float[] { 0, 1 }); } @Override @@ -181,109 +193,135 @@ public class AADisorderClient extends JabawsAlignCalcWorker implements { boolean sameGroup = false; SequenceI dseq, aseq, seq = seqNames.get(seqId); - int base = seq.getStart() - 1; + int base = seq.findPosition(start) - 1; aseq = seq; while ((dseq = seq).getDatasetSequence() != null) { seq = seq.getDatasetSequence(); } - ; - ScoreHolder scores = scoremanager.getAnnotationForSequence(seqId); + ScoreHolder scores = null; + try + { + scores = scoremanager.getAnnotationForSequence(seqId); + } catch (Exception q) + { + Cache.log + .info("Couldn't recover disorder prediction for sequence " + + seq.getName() + + "(Prediction name was " + + seqId + + ")" + + "\nSee http://issues.jalview.org/browse/JAL-1319 for one possible reason why disorder predictions might fail."); + } float last = Float.NaN, val = Float.NaN; int lastAnnot = ourAnnot.size(); - for (Score scr : scores.scores) + if (scores != null && scores.scores != null) { - - if (scr.getRanges() != null && scr.getRanges().size() > 0) + for (Score scr : scores.scores) { - Iterator vals = scr.getScores().iterator(); - // make features on sequence - for (Range rn : scr.getRanges()) - { - SequenceFeature sf; - String[] type = featureTypeMap.get(scr.getMethod()); - if (type == null) - { - // create a default type for this feature - type = new String[] - { typeName + " (" + scr.getMethod() + ")", - service.getActionText() }; - } - if (vals.hasNext()) + if (scr.getRanges() != null && scr.getRanges().size() > 0) + { + Iterator vals = scr.getScores().iterator(); + // make features on sequence + for (Range rn : scr.getRanges()) { - sf = new SequenceFeature(type[0], type[1], base + rn.from, - base + rn.to, val = vals.next().floatValue(), - methodName); + + SequenceFeature sf; + String[] type = featureTypeMap.get(scr.getMethod()); + if (type == null) + { + // create a default type for this feature + type = new String[] { + typeName + " (" + scr.getMethod() + ")", + service.getActionText() }; + } + if (vals.hasNext()) + { + sf = new SequenceFeature(type[0], type[1], + base + rn.from, base + rn.to, val = vals.next() + .floatValue(), methodName); + } + else + { + sf = new SequenceFeature(type[0], type[1], null, base + + rn.from, base + rn.to, methodName); + } + dseq.addSequenceFeature(sf); + if (last != val && !Float.isNaN(last)) + { + fc.put(sf.getType(), sf); + } + last = val; + dispFeatures = true; } - else + } + else + { + if (scr.getScores().size() == 0) { - sf = new SequenceFeature(type[0], type[1], null, base - + rn.from, base + rn.to, methodName); + continue; } - dseq.addSequenceFeature(sf); - if (last != val && last != Float.NaN) + String typename, calcName; + AlignmentAnnotation annot = createAnnotationRowsForScores( + ourAnnot, + typename = service.serviceType + " (" + + scr.getMethod() + ")", + calcName = service.getServiceTypeURI() + "/" + + scr.getMethod(), aseq, base + 1, scr); + annot.graph = AlignmentAnnotation.LINE_GRAPH; + + Map styleMap = (annotTypeMap == null) ? null + : annotTypeMap.get(scr.getMethod()); + + annot.visible = (styleMap == null || styleMap.get(INVISIBLE) == null); + double[] thrsh = (styleMap == null) ? null + : (double[]) styleMap.get(THRESHOLD); + float[] range = (styleMap == null) ? null + : (float[]) styleMap.get(RANGE); + if (range != null) { - fc.put(sf.getType(), sf); + annot.graphMin = range[0]; + annot.graphMax = range[1]; } - last = val; - dispFeatures = true; - } - } - else - { - if (scr.getScores().size() == 0) - { - continue; - } - AlignmentAnnotation annot = createAnnotationRowsForScores( - ourAnnot, service.serviceType + " (" + scr.getMethod() - + ")", - service.getServiceTypeURI() + "/" + scr.getMethod(), - aseq, base + 1, scr); - annot.graph = AlignmentAnnotation.LINE_GRAPH; - annot.visible = (annotTypeMap == null - || annotTypeMap.get(scr.getMethod()) == null || annotTypeMap - .get(scr.getMethod()).get(INVISIBLE) == null); - double[] thrsh = (annotTypeMap == null || annotTypeMap.get(scr - .getMethod()) == null) ? null : (double[]) annotTypeMap - .get(scr.getMethod()).get(THRESHOLD); - if (annotTypeMap == null - || annotTypeMap.get(scr.getMethod()) == null - || annotTypeMap.get(scr.getMethod()).get(DONTCOMBINE) == null) - { + if (styleMap == null || styleMap.get(DONTCOMBINE) == null) { - if (!sameGroup) { - graphGroup++; - sameGroup = true; - } + if (!sameGroup) + { + graphGroup++; + sameGroup = true; + } - annot.graphGroup = graphGroup; + annot.graphGroup = graphGroup; + } } - } - annot.description = "" + service.getActionText() - + " - raw scores"; - if (thrsh != null) - { - String threshNote = (thrsh[0] > 0 ? "Above " : "Below ") - + thrsh[1] + " indicates disorder"; - annot.threshold = new GraphLine((float) thrsh[1], threshNote, - Color.red); - annot.description += "
" + threshNote; - } - annot.description += ""; - Color col = new UserColourScheme(typeName) - .createColourFromName(typeName + scr.getMethod()); - for (int p = 0, ps = annot.annotations.length; p < ps; p++) - { - if (annot.annotations[p] != null) + annot.description = "" + service.getActionText() + + " - raw scores"; + if (thrsh != null) + { + String threshNote = (thrsh[0] > 0 ? "Above " : "Below ") + + thrsh[1] + " indicates disorder"; + annot.threshold = new GraphLine((float) thrsh[1], + threshNote, Color.red); + annot.description += "
" + threshNote; + } + annot.description += ""; + Color col = new UserColourScheme(typeName) + .createColourFromName(typeName + scr.getMethod()); + for (int p = 0, ps = annot.annotations.length; p < ps; p++) { - annot.annotations[p].colour = col; + if (annot.annotations[p] != null) + { + annot.annotations[p].colour = col; + } } + annot._linecolour = col; + // finally, update any dataset annotation + replaceAnnotationOnAlignmentWith(annot, typename, calcName, + aseq); } - annot._linecolour = col; } } if (lastAnnot + 1 == ourAnnot.size()) @@ -295,7 +333,7 @@ public class AADisorderClient extends JabawsAlignCalcWorker implements { if (dispFeatures) { - jalview.gui.FeatureRenderer fr = ((jalview.gui.AlignmentPanel) ap) + jalview.api.FeatureRenderer fr = ((jalview.gui.AlignmentPanel) ap) .cloneFeatureRenderer(); for (String ft : fc.keySet()) { @@ -331,4 +369,11 @@ public class AADisorderClient extends JabawsAlignCalcWorker implements } } + @Override + public String getCalcId() + { + // Disorder predictions are not dynamically updated so we return null + return null; + } + }