X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fgui%2FJalview2XML.java;h=bde3035939a292f6faf92d9f9626f44cc9cc2e78;hb=9c9bc24a6be8af1a97914b246b8ce2d0eaabf5fd;hp=9f109eea534bfa5218f19abaabd8f4a0b6c5a841;hpb=f52f7b378972cc884b5d3e5cc250f89667f558f7;p=jalview.git diff --git a/src/jalview/gui/Jalview2XML.java b/src/jalview/gui/Jalview2XML.java index 9f109ee..bde3035 100644 --- a/src/jalview/gui/Jalview2XML.java +++ b/src/jalview/gui/Jalview2XML.java @@ -38,6 +38,13 @@ import jalview.schemabinding.version2.*; import jalview.schemes.*; import jalview.util.Platform; import jalview.util.jarInputStreamProvider; +import jalview.ws.jws2.AAConsClient; +import jalview.ws.jws2.Jws2Discoverer; +import jalview.ws.jws2.dm.AAConsSettings; +import jalview.ws.jws2.jabaws2.Jws2Instance; +import jalview.ws.params.ArgumentI; +import jalview.ws.params.AutoCalcSetting; +import jalview.ws.params.WsParamSetI; /** * Write out the current jalview desktop state as a Jalview XML stream. @@ -457,6 +464,7 @@ public class Jalview2XML } JSeq jseq; + Set calcIdSet=new HashSet(); // SAVE SEQUENCES String id = ""; @@ -502,7 +510,8 @@ public class Jalview2XML if (av.isHiddenRepSequence(jal.getSequenceAt(i))) { - jalview.datamodel.SequenceI[] reps = av.getRepresentedSequences(jal.getSequenceAt(i)).getSequencesInOrder(jal); + jalview.datamodel.SequenceI[] reps = av.getRepresentedSequences( + jal.getSequenceAt(i)).getSequencesInOrder(jal); for (int h = 0; h < reps.length; h++) { @@ -609,8 +618,8 @@ public class Jalview2XML for (int smap = 0; smap < jmol.jmb.sequence[peid].length; smap++) { -// if (jal.findIndex(jmol.jmb.sequence[peid][smap]) > -1) - if (jds==jmol.jmb.sequence[peid][smap]) + // if (jal.findIndex(jmol.jmb.sequence[peid][smap]) > -1) + if (jds == jmol.jmb.sequence[peid][smap]) { StructureState state = new StructureState(); state.setVisible(true); @@ -790,7 +799,6 @@ public class Jalview2XML } } } - // SAVE ANNOTATIONS /** * store forward refs from an annotationRow to any groups @@ -863,8 +871,10 @@ public class Jalview2XML an.setLabel(aa[i].label); - if (aa[i] == av.getAlignmentQualityAnnot() || aa[i] == av.getAlignmentConservationAnnotation() - || aa[i] == av.getAlignmentConsensusAnnotation() || aa[i].autoCalculated) + if (aa[i] == av.getAlignmentQualityAnnot() + || aa[i] == av.getAlignmentConservationAnnotation() + || aa[i] == av.getAlignmentConsensusAnnotation() + || aa[i].autoCalculated) { // new way of indicating autocalculated annotation - an.setAutoCalculated(aa[i].autoCalculated); @@ -874,8 +884,9 @@ public class Jalview2XML an.setScore(aa[i].getScore()); } - if (aa[i].getCalcId()!=null) + if (aa[i].getCalcId() != null) { + calcIdSet.add(aa[i].getCalcId()); an.setCalcId(aa[i].getCalcId()); } @@ -933,7 +944,7 @@ public class Jalview2XML { JGroup[] groups = new JGroup[jal.getGroups().size()]; int i = -1; - for (jalview.datamodel.SequenceGroup sg:jal.getGroups()) + for (jalview.datamodel.SequenceGroup sg : jal.getGroups()) { groups[++i] = new JGroup(); @@ -1162,11 +1173,11 @@ public class Jalview2XML } // Make sure we save none displayed feature settings - Enumeration en = ap.seqPanel.seqCanvas.getFeatureRenderer().featureColours - .keys(); - while (en.hasMoreElements()) + Iterator en = ap.seqPanel.seqCanvas.getFeatureRenderer().featureColours + .keySet().iterator(); + while (en.hasNext()) { - String key = en.nextElement().toString(); + String key = en.next().toString(); if (settingsAdded.contains(key)) { continue; @@ -1187,11 +1198,12 @@ public class Jalview2XML fs.addSetting(setting); settingsAdded.addElement(key); } - en = ap.seqPanel.seqCanvas.getFeatureRenderer().featureGroups.keys(); + en = ap.seqPanel.seqCanvas.getFeatureRenderer().featureGroups + .keySet().iterator(); Vector groupsAdded = new Vector(); - while (en.hasMoreElements()) + while (en.hasNext()) { - String grp = en.nextElement().toString(); + String grp = en.next().toString(); if (groupsAdded.contains(grp)) { continue; @@ -1228,6 +1240,21 @@ public class Jalview2XML } } } + if (calcIdSet.size() > 0) + { + for (String calcId : calcIdSet) + { + if (calcId.trim().length() > 0) + { + CalcIdParam cidp = createCalcIdParam(calcId, av); + // Some calcIds have no parameters. + if (cidp != null) + { + view.addCalcIdParam(cidp); + } + } + } + } jms.addViewport(view); @@ -1259,6 +1286,99 @@ public class Jalview2XML return object; } + private CalcIdParam createCalcIdParam(String calcId, AlignViewport av) + { + AutoCalcSetting settings = av.getCalcIdSettingsFor(calcId); + if (settings != null) + { + CalcIdParam vCalcIdParam = new CalcIdParam(); + vCalcIdParam.setCalcId(calcId); + vCalcIdParam.addServiceURL(settings.getServiceURI()); + // generic URI allowing a third party to resolve another instance of the + // service used for this calculation + for (String urls : settings.getServiceURLs()) + { + vCalcIdParam.addServiceURL(urls); + } + vCalcIdParam.setVersion("1.0"); + if (settings.getPreset() != null) + { + WsParamSetI setting = settings.getPreset(); + vCalcIdParam.setName(setting.getName()); + vCalcIdParam.setDescription(setting.getDescription()); + } + else + { + vCalcIdParam.setName(""); + vCalcIdParam.setDescription("Last used parameters"); + } + // need to be able to recover 1) settings 2) user-defined presets or + // recreate settings from preset 3) predefined settings provided by + // service - or settings that can be transferred (or discarded) + vCalcIdParam.setParameters(settings.getWsParamFile().replace("\n", + "|\\n|")); + vCalcIdParam.setAutoUpdate(settings.isAutoUpdate()); + // todo - decide if updateImmediately is needed for any projects. + + return vCalcIdParam; + } + return null; + } + + private boolean recoverCalcIdParam(CalcIdParam calcIdParam, + AlignViewport av) + { + if (calcIdParam.getVersion().equals("1.0")) + { + Jws2Instance service = Jws2Discoverer.getDiscoverer() + .getPreferredServiceFor(calcIdParam.getServiceURL()); + if (service != null) + { + WsParamSetI parmSet = null; + try + { + parmSet = service.getParamStore().parseServiceParameterFile( + calcIdParam.getName(), calcIdParam.getDescription(), + calcIdParam.getServiceURL(), + calcIdParam.getParameters().replace("|\\n|", "\n")); + } catch (IOException x) + { + warn("Couldn't parse parameter data for " + + calcIdParam.getCalcId(), x); + return false; + } + List argList = null; + if (calcIdParam.getName().length() > 0) + { + parmSet = service.getParamStore() + .getPreset(calcIdParam.getName()); + if (parmSet != null) + { + // TODO : check we have a good match with settings in AACons - + // otherwise we'll need to create a new preset + } + } + else + { + argList = parmSet.getArguments(); + parmSet = null; + } + AAConsSettings settings = new AAConsSettings( + calcIdParam.isAutoUpdate(), service, parmSet, argList); + av.setCalcIdSettingsFor(calcIdParam.getCalcId(), settings, + calcIdParam.isNeedsUpdate()); + return true; + } + else + { + warn("Cannot resolve a service for the parameters used in this project. Try configuring a JABAWS server."); + return false; + } + } + throw new Error("Unsupported Version for calcIdparam " + + calcIdParam.toString()); + } + /** * External mapping between jalview objects and objects yielding a valid and * unique object ID string. This is null for normal Jalview project IO, but @@ -1270,7 +1390,7 @@ public class Jalview2XML /** * Construct a unique ID for jvobj using either existing bindings or if none * exist, the result of the hashcode call for the object. - * + * * @param jvobj * jalview data object * @return unique ID for referring to jvobj @@ -1301,7 +1421,7 @@ public class Jalview2XML /** * return local jalview object mapped to ID, if it exists - * + * * @param idcode * (may be null) * @return null or object bound to idcode @@ -1537,7 +1657,7 @@ public class Jalview2XML /** * Load a jalview project archive from a jar file - * + * * @param file * - HTTP URL or filename */ @@ -1607,7 +1727,7 @@ public class Jalview2XML * initialise uniqueSetSuffix, seqRefIds, viewportsAdded and frefedSequence * themselves. Any null fields will be initialised with default values, * non-null fields are left alone. - * + * * @param jprovider * @return */ @@ -1828,7 +1948,7 @@ public class Jalview2XML } ; out.close(); - String t=outFile.getAbsolutePath(); + String t = outFile.getAbsolutePath(); alreadyLoadedPDB.put(pdbId, t); return t; } @@ -1865,7 +1985,7 @@ public class Jalview2XML /** * Load alignment frame from jalview XML DOM object - * + * * @param object * DOM * @param file @@ -1926,8 +2046,7 @@ public class Jalview2XML hiddenSeqs = new Vector(); } - hiddenSeqs.addElement(seqRefIds - .get(seqId)); + hiddenSeqs.addElement(seqRefIds.get(seqId)); } } @@ -2148,16 +2267,19 @@ public class Jalview2XML // Construct new annotation from model. AnnotationElement[] ae = an[i].getAnnotationElement(); jalview.datamodel.Annotation[] anot = null; - + java.awt.Color firstColour=null; + int anpos; if (!an[i].getScoreOnly()) { anot = new jalview.datamodel.Annotation[al.getWidth()]; for (int aa = 0; aa < ae.length && aa < anot.length; aa++) { - if (ae[aa].getPosition() >= anot.length) + anpos = ae[aa].getPosition(); + + if (anpos >= anot.length) continue; - anot[ae[aa].getPosition()] = new jalview.datamodel.Annotation( + anot[anpos] = new jalview.datamodel.Annotation( ae[aa].getDisplayCharacter(), ae[aa].getDescription(), (ae[aa].getSecondaryStructure() == null || ae[aa] @@ -2173,8 +2295,12 @@ public class Jalview2XML // { // anot[ae[aa].getPosition()].displayCharacter = ""; // } - anot[ae[aa].getPosition()].colour = new java.awt.Color( + anot[anpos].colour = new java.awt.Color( ae[aa].getColour()); + if (firstColour==null) + { + firstColour=anot[anpos].colour; + } } } jalview.datamodel.AlignmentAnnotation jaa = null; @@ -2190,7 +2316,7 @@ public class Jalview2XML an[i].getGraphType()); jaa.graphGroup = an[i].getGraphGroup(); - + jaa._linecolour=firstColour; if (an[i].getThresholdLine() != null) { jaa.setThreshold(new jalview.datamodel.GraphLine(an[i] @@ -2210,25 +2336,22 @@ public class Jalview2XML { jaa = new jalview.datamodel.AlignmentAnnotation(an[i].getLabel(), an[i].getDescription(), anot); + jaa._linecolour=firstColour; + } + // register new annotation + if (an[i].getId() != null) + { + annotationIds.put(an[i].getId(), jaa); + jaa.annotationId = an[i].getId(); } - if (autoForView) + // recover sequence association + if (an[i].getSequenceRef() != null) { - // register new annotation - if (an[i].getId() != null) + if (al.findName(an[i].getSequenceRef()) != null) { - annotationIds.put(an[i].getId(), jaa); - jaa.annotationId = an[i].getId(); - } - // recover sequence association - if (an[i].getSequenceRef() != null) - { - if (al.findName(an[i].getSequenceRef()) != null) - { - jaa.createSequenceMapping( - al.findName(an[i].getSequenceRef()), 1, true); - al.findName(an[i].getSequenceRef()).addAlignmentAnnotation( - jaa); - } + jaa.createSequenceMapping(al.findName(an[i].getSequenceRef()), + 1, true); + al.findName(an[i].getSequenceRef()).addAlignmentAnnotation(jaa); } } // and make a note of any group association @@ -2271,7 +2394,7 @@ public class Jalview2XML } if (an[i].hasBelowAlignment()) { - jaa.belowAlignment=an[i].isBelowAlignment(); + jaa.belowAlignment = an[i].isBelowAlignment(); } jaa.setCalcId(an[i].getCalcId()); @@ -2638,13 +2761,12 @@ public class Jalview2XML } if (ids[p].getFile() != null) { - File mapkey=new File(ids[p].getFile()); + File mapkey = new File(ids[p].getFile()); Object[] seqstrmaps = (Object[]) ((Hashtable) jmoldat[2]) .get(mapkey); if (seqstrmaps == null) { - ((Hashtable) jmoldat[2]).put( - mapkey, + ((Hashtable) jmoldat[2]).put(mapkey, seqstrmaps = new Object[] { pdbFile, ids[p].getId(), new Vector(), new Vector() }); @@ -2741,25 +2863,28 @@ public class Jalview2XML { newFileLoc = new StringBuffer(); } - do { + do + { // look for next filename in load statement - newFileLoc.append(state.substring(cp, - ncp = (state.indexOf("\"", ncp + 1) + 1))); - String oldfilenam = state.substring(ncp, - ecp = state.indexOf("\"", ncp)); - // recover the new mapping data for this old filename - // have to normalize filename - since Jmol and jalview do filename - // translation differently. - Object[] filedat = oldFiles.get(new File(oldfilenam)); - newFileLoc.append(Platform.escapeString((String) filedat[0])); - pdbfilenames.addElement((String) filedat[0]); - pdbids.addElement((String) filedat[1]); - seqmaps.addElement(((Vector) filedat[2]) - .toArray(new SequenceI[0])); - newFileLoc.append("\""); - cp = ecp + 1; // advance beyond last \" and set cursor so we can - // look for next file statement. - } while ((ncp=state.indexOf("/*file*/",cp))>-1); + newFileLoc.append(state.substring(cp, + ncp = (state.indexOf("\"", ncp + 1) + 1))); + String oldfilenam = state.substring(ncp, + ecp = state.indexOf("\"", ncp)); + // recover the new mapping data for this old filename + // have to normalize filename - since Jmol and jalview do + // filename + // translation differently. + Object[] filedat = oldFiles.get(new File(oldfilenam)); + newFileLoc.append(Platform + .escapeString((String) filedat[0])); + pdbfilenames.addElement((String) filedat[0]); + pdbids.addElement((String) filedat[1]); + seqmaps.addElement(((Vector) filedat[2]) + .toArray(new SequenceI[0])); + newFileLoc.append("\""); + cp = ecp + 1; // advance beyond last \" and set cursor so we can + // look for next file statement. + } while ((ncp = state.indexOf("/*file*/", cp)) > -1); } if (cp > 0) { @@ -2895,8 +3020,7 @@ public class Jalview2XML } if (usetoColourbyseq) { - comp.useAlignmentPanelForColourbyseq(ap, - !jmolColouring); + comp.useAlignmentPanelForColourbyseq(ap, !jmolColouring); } else { @@ -2923,8 +3047,8 @@ public class Jalview2XML for (int i = 0; i < JSEQ.length; i++) { - af.viewport.setSequenceColour(af.viewport.getAlignment().getSequenceAt(i), - new java.awt.Color(JSEQ[i].getColour())); + af.viewport.setSequenceColour(af.viewport.getAlignment() + .getSequenceAt(i), new java.awt.Color(JSEQ[i].getColour())); } af.viewport.gatherViewsHere = view.getGatheredViews(); @@ -3046,8 +3170,8 @@ public class Jalview2XML if (view.getAnnotationColours().getColourScheme() .equals("None")) { - cs = new AnnotationColourGradient( - af.viewport.getAlignment().getAlignmentAnnotation()[i], + cs = new AnnotationColourGradient(af.viewport + .getAlignment().getAlignmentAnnotation()[i], new java.awt.Color(view.getAnnotationColours() .getMinColour()), new java.awt.Color(view .getAnnotationColours().getMaxColour()), @@ -3056,16 +3180,16 @@ public class Jalview2XML else if (view.getAnnotationColours().getColourScheme() .startsWith("ucs")) { - cs = new AnnotationColourGradient( - af.viewport.getAlignment().getAlignmentAnnotation()[i], + cs = new AnnotationColourGradient(af.viewport + .getAlignment().getAlignmentAnnotation()[i], GetUserColourScheme(jms, view .getAnnotationColours().getColourScheme()), view.getAnnotationColours().getAboveThreshold()); } else { - cs = new AnnotationColourGradient( - af.viewport.getAlignment().getAlignmentAnnotation()[i], + cs = new AnnotationColourGradient(af.viewport + .getAlignment().getAlignmentAnnotation()[i], ColourSchemeProperty.getColour(al, view .getAnnotationColours().getColourScheme()), view.getAnnotationColours().getAboveThreshold()); @@ -3076,8 +3200,8 @@ public class Jalview2XML { for (int g = 0; g < al.getGroups().size(); g++) { - jalview.datamodel.SequenceGroup sg = (jalview.datamodel.SequenceGroup) al - .getGroups().elementAt(g); + jalview.datamodel.SequenceGroup sg = al.getGroups() + .get(g); if (sg.cs == null) { @@ -3096,8 +3220,8 @@ public class Jalview2XML * view.getAnnotationColours().getAboveThreshold()); } else */ { - sg.cs = new AnnotationColourGradient( - af.viewport.getAlignment().getAlignmentAnnotation()[i], + sg.cs = new AnnotationColourGradient(af.viewport + .getAlignment().getAlignmentAnnotation()[i], sg.cs, view.getAnnotationColours() .getAboveThreshold()); } @@ -3145,8 +3269,8 @@ public class Jalview2XML } if (view.hasIgnoreGapsinConsensus()) { - af.viewport.setIgnoreGapsConsensus(view - .getIgnoreGapsinConsensus(), null); + af.viewport.setIgnoreGapsConsensus(view.getIgnoreGapsinConsensus(), + null); } if (view.hasFollowHighlight()) { @@ -3272,7 +3396,23 @@ public class Jalview2XML ); } } - + if (view.getCalcIdParam() != null) + { + for (CalcIdParam calcIdParam : view.getCalcIdParam()) + { + if (calcIdParam != null) + { + if (recoverCalcIdParam(calcIdParam, af.viewport)) + { + } + else + { + warn("Couldn't recover parameters for " + + calcIdParam.getCalcId()); + } + } + } + } af.setMenusFromViewport(af.viewport); // TODO: we don't need to do this if the viewport is aready visible. Desktop.addInternalFrame(af, view.getTitle(), view.getWidth(), @@ -3302,21 +3442,34 @@ public class Jalview2XML } for (JvAnnotRow auan : autoAlan) { - visan.put(auan.template.label, auan); + visan.put(auan.template.label + + (auan.template.getCalcId() == null ? "" : "\t" + + auan.template.getCalcId()), auan); } int hSize = al.getAlignmentAnnotation().length; ArrayList reorder = new ArrayList(); + // work through any autoCalculated annotation already on the view + // removing it if it should be placed in a different location on the + // annotation panel. + List remains = new ArrayList(visan.keySet()); for (int h = 0; h < hSize; h++) { jalview.datamodel.AlignmentAnnotation jalan = al .getAlignmentAnnotation()[h]; if (jalan.autoCalculated) { - JvAnnotRow valan = visan.get(jalan.label); + String k; + JvAnnotRow valan = visan.get(k = jalan.label); + if (jalan.getCalcId() != null) + { + valan = visan.get(k = jalan.label + "\t" + jalan.getCalcId()); + } + if (valan != null) { // delete the auto calculated row from the alignment - al.deleteAnnotation(al.getAlignmentAnnotation()[h], false); + al.deleteAnnotation(jalan, false); + remains.remove(k); hSize--; h--; if (valan != nullAnnot) @@ -3338,6 +3491,18 @@ public class Jalview2XML } } } + // Add any (possibly stale) autocalculated rows that were not appended to + // the view during construction + for (String other : remains) + { + JvAnnotRow othera = visan.get(other); + if (othera != nullAnnot && othera.template.getCalcId() != null + && othera.template.getCalcId().length() > 0) + { + reorder.add(othera); + } + } + // now put the automatic annotation in its correct place int s = 0, srt[] = new int[reorder.size()]; JvAnnotRow[] rws = new JvAnnotRow[reorder.size()]; for (JvAnnotRow jvar : reorder)