package jalview.bin; import java.io.File; import java.io.IOException; import java.net.URISyntaxException; import java.util.ArrayList; import java.util.Arrays; import java.util.Collections; import java.util.EnumSet; import java.util.HashMap; import java.util.Iterator; import java.util.List; import java.util.Locale; import java.util.Map; import jalview.analysis.AlignmentUtils; import jalview.bin.argparser.Arg; import jalview.bin.argparser.ArgParser; import jalview.bin.argparser.ArgParser.Position; import jalview.bin.argparser.ArgValue; import jalview.bin.argparser.ArgValues; import jalview.bin.argparser.ArgValuesMap; import jalview.bin.argparser.SubVals; import jalview.datamodel.AlignmentI; import jalview.datamodel.SequenceI; import jalview.datamodel.annotations.AlphaFoldAnnotationRowBuilder; import jalview.gui.AlignFrame; import jalview.gui.AlignmentPanel; import jalview.gui.Desktop; import jalview.gui.Preferences; import jalview.gui.StructureChooser; import jalview.gui.StructureViewer; import jalview.gui.StructureViewer.ViewerType; import jalview.io.AppletFormatAdapter; import jalview.io.BioJsHTMLOutput; import jalview.io.DataSourceType; import jalview.io.FileFormat; import jalview.io.FileFormatException; import jalview.io.FileFormatI; import jalview.io.FileLoader; import jalview.io.HtmlSvgOutput; import jalview.io.IdentifyFile; import jalview.structure.StructureImportSettings.TFType; import jalview.structure.StructureSelectionManager; import jalview.util.HttpUtils; import jalview.util.MessageManager; import jalview.util.Platform; public class Commands { Desktop desktop; private boolean headless; private ArgParser argParser; private Map afMap; private boolean commandArgsProvided = false; private boolean argsWereParsed = false; public Commands(ArgParser argparser, boolean headless) { this(Desktop.instance, argparser, headless); } public Commands(Desktop d, ArgParser argparser, boolean h) { argParser = argparser; headless = h; desktop = d; afMap = new HashMap(); if (argparser != null) { processArgs(argparser, headless); } } private boolean processArgs(ArgParser argparser, boolean h) { argParser = argparser; headless = h; boolean theseArgsWereParsed = false; if (argParser != null && argParser.getLinkedIds() != null) { for (String id : argParser.getLinkedIds()) { ArgValuesMap avm = argParser.getLinkedArgs(id); theseArgsWereParsed = true; theseArgsWereParsed &= processLinked(id); boolean processLinkedOkay = theseArgsWereParsed; theseArgsWereParsed &= processImages(id); if (processLinkedOkay) theseArgsWereParsed &= processOutput(id); // close ap if (avm.getBoolean(Arg.CLOSE)) { AlignFrame af = afMap.get(id); if (af != null) { af.closeMenuItem_actionPerformed(true); } } } } if (argParser.getBool(Arg.QUIT)) { Jalview.getInstance().quit(); return true; } // carry on with jalview.bin.Jalview argsWereParsed = theseArgsWereParsed; return argsWereParsed; } public boolean commandArgsProvided() { return commandArgsProvided; } public boolean argsWereParsed() { return argsWereParsed; } protected boolean processUnlinked(String id) { return processLinked(id); } protected boolean processLinked(String id) { boolean theseArgsWereParsed = false; ArgValuesMap avm = argParser.getLinkedArgs(id); if (avm == null) return true; /* * // script to execute after all loading is completed one way or another String * groovyscript = m.get(Arg.GROOVY) == null ? null : * m.get(Arg.GROOVY).getValue(); String file = m.get(Arg.OPEN) == null ? null : * m.get(Arg.OPEN).getValue(); String data = null; FileFormatI format = null; * DataSourceType protocol = null; */ if (avm.containsArg(Arg.APPEND) || avm.containsArg(Arg.OPEN)) { commandArgsProvided = true; long progress = -1; boolean first = true; boolean progressBarSet = false; AlignFrame af; // Combine the APPEND and OPEN files into one list, along with whether it // was APPEND or OPEN List openAvList = new ArrayList<>(); openAvList.addAll(avm.getArgValueList(Arg.OPEN)); openAvList.addAll(avm.getArgValueList(Arg.APPEND)); // sort avlist based on av.getArgIndex() Collections.sort(openAvList); for (ArgValue av : openAvList) { Arg a = av.getArg(); SubVals sv = av.getSubVals(); String openFile = av.getValue(); if (openFile == null) continue; theseArgsWereParsed = true; if (first) { first = false; if (!headless && desktop != null) { desktop.setProgressBar( MessageManager.getString( "status.processing_commandline_args"), progress = System.currentTimeMillis()); progressBarSet = true; } } if (!Platform.isJS()) /** * ignore in JavaScript -- can't just file existence - could load it? * * @j2sIgnore */ { if (!HttpUtils.startsWithHttpOrHttps(openFile)) { if (!(new File(openFile)).exists()) { Console.warn("Can't find file '" + openFile + "'"); } } } DataSourceType protocol = AppletFormatAdapter .checkProtocol(openFile); FileFormatI format = null; try { format = new IdentifyFile().identify(openFile, protocol); } catch (FileFormatException e1) { Console.error("Unknown file format for '" + openFile + "'"); } af = afMap.get(id); // When to open a new AlignFrame if (af == null || "true".equals(av.getSubVal("new")) || a == Arg.OPEN || format == FileFormat.Jalview) { /* * this approach isn't working yet // get default annotations before opening * AlignFrame if (m.get(Arg.SSANNOTATIONS) != null) { * Console.debug("##### SSANNOTATIONS=" + m.get(Arg.SSANNOTATIONS).getBoolean()); * } if (m.get(Arg.NOTEMPFAC) != null) { Console.debug( "##### NOTEMPFAC=" + * m.get(Arg.NOTEMPFAC).getBoolean()); } boolean showSecondaryStructure = * (m.get(Arg.SSANNOTATIONS) != null) ? m.get(Arg.SSANNOTATIONS).getBoolean() : * false; boolean showTemperatureFactor = (m.get(Arg.NOTEMPFAC) != null) ? * !m.get(Arg.NOTEMPFAC).getBoolean() : false; Console.debug("##### tempfac=" + * showTemperatureFactor + ", showSS=" + showSecondaryStructure); * StructureSelectionManager ssm = StructureSelectionManager * .getStructureSelectionManager(Desktop.instance); if (ssm != null) { * ssm.setAddTempFacAnnot(showTemperatureFactor); * ssm.setProcessSecondaryStructure(showSecondaryStructure); } */ Console.debug( "Opening '" + openFile + "' in new alignment frame"); FileLoader fileLoader = new FileLoader(!headless); af = fileLoader.LoadFileWaitTillLoaded(openFile, protocol, format); boolean showAnnotations = ArgParser.getFromSubValArgOrPref(avm, Arg.ANNOTATIONS, av.getSubVals(), null, "SHOW_ANNOTATIONS", true); af.setAnnotationsVisibility(showAnnotations, false, true); // wrap alignment? boolean wrap = ArgParser.getFromSubValArgOrPref(avm, Arg.WRAP, sv, null, "WRAP_ALIGNMENT", false); af.getCurrentView().setWrapAlignment(wrap); // colour aligment? String colour = ArgParser.getFromSubValArgOrPref(avm, av, Arg.COLOUR, sv, null, "DEFAULT_COLOUR_PROT", ""); if ("" != colour) { af.changeColour_actionPerformed(colour); } // change alignment frame title String title = ArgParser.getFromSubValArgOrPref(avm, av, Arg.TITLE, sv, null, null, null); if (title != null) af.setTitle(title); // show secondary structure annotations? boolean showSSAnnotations = ArgParser.getFromSubValArgOrPref(avm, Arg.SSANNOTATIONS, av.getSubVals(), null, "STRUCT_FROM_PDB", true); if (avm.getBoolean(Arg.SSANNOTATIONS)) { af.setAnnotationsVisibility(showSSAnnotations, true, false); /* AlignmentUtils.showOrHideSequenceAnnotations( af.getCurrentView().getAlignment(), Collections.singleton("Secondary Structure"), null, false, false); */ } // show temperature factor annotations? if (avm.getBoolean(Arg.NOTEMPFAC)) { // do this better (annotation types?) List hideThese = new ArrayList<>(); hideThese.add("Temperature Factor"); hideThese.add(AlphaFoldAnnotationRowBuilder.LABEL); AlignmentUtils.showOrHideSequenceAnnotations( af.getCurrentView().getAlignment(), hideThese, null, false, false); } else /* * comment out hacky approach up to here and add this line: if * (showTemperatureFactor) */ { /* if (avm.containsArg(Arg.TEMPFAC_LABEL)) { AlignmentAnnotation aa = AlignmentUtils .getFirstSequenceAnnotationOfType( af.getCurrentView().getAlignment(), AlignmentAnnotation.LINE_GRAPH); String label = avm.getValue(Arg.TEMPFAC_LABEL); if (aa != null) { aa.label = label; } else { Console.info( "Could not find annotation to apply tempfac_label '" + label); } } */ } // store the AlignFrame for this id afMap.put(id, af); // is it its own structure file? if (format.isStructureFile()) { StructureSelectionManager ssm = StructureSelectionManager .getStructureSelectionManager(Desktop.instance); SequenceI seq = af.alignPanel.getAlignment().getSequenceAt(0); ssm.computeMapping(false, new SequenceI[] { seq }, null, openFile, DataSourceType.FILE, null, null, null, false); } } else { Console.debug( "Opening '" + openFile + "' in existing alignment frame"); DataSourceType dst = HttpUtils.startsWithHttpOrHttps(openFile) ? DataSourceType.URL : DataSourceType.FILE; FileLoader fileLoader = new FileLoader(!headless); fileLoader.LoadFile(af.getCurrentView(), openFile, dst, null, false); } Console.debug("Command " + Arg.APPEND + " executed successfully!"); } if (first) // first=true means nothing opened { if (headless) { Jalview.exit("Could not open any files in headless mode", 1); } else { Console.warn("No more files to open"); } } if (progressBarSet && desktop != null) desktop.setProgressBar(null, progress); } // open the structure (from same PDB file or given PDBfile) if (!avm.getBoolean(Arg.NOSTRUCTURE)) { AlignFrame af = afMap.get(id); if (avm.containsArg(Arg.STRUCTURE)) { commandArgsProvided = true; for (ArgValue av : avm.getArgValueList(Arg.STRUCTURE)) { String val = av.getValue(); SubVals subVals = av.getSubVals(); SequenceI seq = getSpecifiedSequence(af, subVals); if (seq == null) { // Could not find sequence from subId, let's assume the first // sequence in the alignframe AlignmentI al = af.getCurrentView().getAlignment(); seq = al.getSequenceAt(0); } if (seq == null) { Console.warn("Could not find sequence for argument " + Arg.STRUCTURE.argString() + "=" + val); // you probably want to continue here, not break // break; continue; } File structureFile = null; if (subVals.getContent() != null && subVals.getContent().length() != 0) { structureFile = new File(subVals.getContent()); Console.debug("Using structure file (from argument) '" + structureFile.getAbsolutePath() + "'"); } // TRY THIS /* * PDBEntry fileEntry = new AssociatePdbFileWithSeq() * .associatePdbWithSeq(selectedPdbFileName, DataSourceType.FILE, * selectedSequence, true, Desktop.instance); * * sViewer = launchStructureViewer(ssm, new PDBEntry[] { fileEntry }, ap, new * SequenceI[] { selectedSequence }); * */ /* THIS DOESN'T WORK */ else if (seq.getAllPDBEntries() != null && seq.getAllPDBEntries().size() > 0) { structureFile = new File( seq.getAllPDBEntries().elementAt(0).getFile()); Console.debug("Using structure file (from sequence) '" + structureFile.getAbsolutePath() + "'"); } if (structureFile == null) { Console.warn("Not provided structure file with '" + val + "'"); continue; } if (!structureFile.exists()) { Console.warn("Structure file '" + structureFile.getAbsoluteFile() + "' not found."); continue; } Console.debug("Using structure file " + structureFile.getAbsolutePath()); // ##### Does this need to happen? Follow // openStructureFileForSequence() below /* PDBEntry fileEntry = new AssociatePdbFileWithSeq() .associatePdbWithSeq(structureFile.getAbsolutePath(), DataSourceType.FILE, seq, true, Desktop.instance); */ // open structure view AlignmentPanel ap = af.alignPanel; if (headless) { Cache.setProperty(Preferences.STRUCTURE_DISPLAY, StructureViewer.ViewerType.JMOL.toString()); } String structureFilepath = structureFile.getAbsolutePath(); // get PAEMATRIX file and label from subvals or Arg.PAEMATRIX String paeFilepath = subVals.getWithSubstitutions(argParser, id, "paematrix"); String paeLabel = subVals.get("paelabel"); ArgValue paeAv = getArgAssociatedWithStructure(Arg.PAEMATRIX, avm, af, structureFilepath); if (paeFilepath == null && paeAv != null) { SubVals sv = paeAv.getSubVals(); File paeFile = new File(sv.getContent()); paeLabel = sv.get("label"); try { paeFilepath = paeFile.getCanonicalPath(); } catch (IOException e) { paeFilepath = paeFile.getAbsolutePath(); Console.warn("Problem with the PAE file path: '" + paeFile.getPath() + "'"); } } // showing annotations from structure file or not boolean ssFromStructure = ArgParser.getFromSubValArgOrPref(avm, Arg.SSANNOTATIONS, subVals, null, "STRUCT_FROM_PDB", true); // get TEMPFAC type from subvals or Arg.TEMPFAC in case user Adds // reference annotations String tftString = subVals.get("tempfac"); TFType tft = avm.getBoolean(Arg.NOTEMPFAC) ? null : TFType.DEFAULT; ArgValue tftAv = getArgAssociatedWithStructure(Arg.TEMPFAC, avm, af, structureFilepath); if (tftString == null && tftAv != null) { tftString = tftAv.getSubVals().getContent(); } if (tftString != null) { // get kind of temperature factor annotation try { tft = TFType.valueOf(tftString.toUpperCase(Locale.ROOT)); Console.debug("Obtained Temperature Factor type of '" + tft + "' for structure '" + structureFilepath + "'"); } catch (IllegalArgumentException e) { // Just an error message! StringBuilder sb = new StringBuilder().append("Cannot set ") .append(Arg.TEMPFAC.argString()).append(" to '") .append(tft) .append("', ignoring. Valid values are: "); Iterator it = Arrays.stream(TFType.values()) .iterator(); while (it.hasNext()) { sb.append(it.next().toString().toLowerCase(Locale.ROOT)); if (it.hasNext()) sb.append(", "); } Console.warn(sb.toString()); } } String sViewer = ArgParser.getFromSubValArgOrPref(avm, Arg.STRUCTUREVIEWER, Position.AFTER, av, subVals, "viewer", null, "jmol"); ViewerType viewerType = null; if (!"none".equals(sViewer)) { for (ViewerType v : EnumSet.allOf(ViewerType.class)) { String name = v.name().toLowerCase(Locale.ROOT) .replaceAll(" ", ""); if (sViewer.equals(name)) { viewerType = v; break; } } } boolean addTempFac = tft != null || Cache.getDefault("ADD_TEMPFACT_ANN", false); // TODO use ssFromStructure StructureChooser.openStructureFileForSequence(null, null, ap, seq, false, structureFilepath, tft, paeFilepath, false, ssFromStructure, false, viewerType); } } } /* boolean doShading = avm.getBoolean(Arg.TEMPFAC_SHADING); if (doShading) { AlignFrame af = afMap.get(id); for (AlignmentAnnotation aa : af.alignPanel.getAlignment() .findAnnotation(PDBChain.class.getName().toString())) { AnnotationColourGradient acg = new AnnotationColourGradient(aa, af.alignPanel.av.getGlobalColourScheme(), 0); acg.setSeqAssociated(true); af.changeColour(acg); Console.info("Changed colour " + acg.toString()); } } */ return theseArgsWereParsed; } protected boolean processImages(String id) { ArgValuesMap avm = argParser.getLinkedArgs(id); AlignFrame af = afMap.get(id); if (af == null) { Console.warn("Did not have an alignment window for id=" + id); return false; } if (avm.containsArg(Arg.IMAGE)) { for (ArgValue av : avm.getArgValueList(Arg.IMAGE)) { String val = av.getValue(); SubVals subVal = av.getSubVals(); String type = "png"; // default String fileName = subVal.getContent(); File file = new File(fileName); String renderer = ArgParser.getValueFromSubValOrArg(avm, av, Arg.RENDERER, subVal); if (renderer == null) renderer = "text"; type = ArgParser.getValueFromSubValOrArg(avm, av, Arg.TYPE, subVal); if (type == null && fileName != null) { for (String ext : new String[] { "svg", "png", "html", "eps" }) { if (fileName.toLowerCase(Locale.ROOT).endsWith("." + ext)) { type = ext; } } } // for moment we disable JSON export Cache.setPropsAreReadOnly(true); Cache.setProperty("EXPORT_EMBBED_BIOJSON", "false"); switch (type) { case "svg": Console.debug("Outputting type '" + type + "' to " + fileName); af.createSVG(file, renderer); break; case "png": Console.debug("Outputting type '" + type + "' to " + fileName); af.createPNG(file); break; case "html": Console.debug("Outputting type '" + type + "' to " + fileName); HtmlSvgOutput htmlSVG = new HtmlSvgOutput(af.alignPanel); htmlSVG.exportHTML(fileName, renderer); break; case "biojs": try { BioJsHTMLOutput.refreshVersionInfo( BioJsHTMLOutput.BJS_TEMPLATES_LOCAL_DIRECTORY); } catch (URISyntaxException e) { e.printStackTrace(); } BioJsHTMLOutput bjs = new BioJsHTMLOutput(af.alignPanel); bjs.exportHTML(fileName); Console.debug("Creating BioJS MSA Viwer HTML file: " + fileName); break; default: Console.warn(Arg.IMAGE.argString() + " type '" + type + "' not known. Ignoring"); break; } } } return true; } protected boolean processOutput(String id) { ArgValuesMap avm = argParser.getLinkedArgs(id); AlignFrame af = afMap.get(id); if (af == null) { Console.warn("Did not have an alignment window for id=" + id); return false; } if (avm.containsArg(Arg.OUTPUT)) { for (ArgValue av : avm.getArgValueList(Arg.OUTPUT)) { String val = av.getValue(); SubVals subVal = av.getSubVals(); String type = null; // default String fileName = subVal.getContent(); File file = new File(fileName); } } return true; } private SequenceI getSpecifiedSequence(AlignFrame af, SubVals subId) { if (subId == null) return null; AlignmentI al = af.getCurrentView().getAlignment(); if (subId.has("seqid")) { return al.findName(subId.get("seqid")); } else if (-1 < subId.getIndex() && subId.getIndex() < al.getSequences().size()) { return al.getSequenceAt(subId.getIndex()); } return null; } // returns the first Arg value intended for the structure structFilename // (in the given AlignFrame from the ArgValuesMap) private ArgValue getArgAssociatedWithStructure(Arg arg, ArgValuesMap avm, AlignFrame af, String structFilename) { if (af != null) { for (ArgValue av : avm.getArgValueList(arg)) { SubVals subVals = av.getSubVals(); String structid = subVals.get("structid"); String structfile = subVals.get("structfile"); // let's find a structure if (structfile == null && structid == null) { ArgValue likelyStructure = avm.getClosestPreviousArgValueOfArg(av, Arg.STRUCTURE); if (likelyStructure != null) { SubVals sv = likelyStructure.getSubVals(); if (sv != null && sv.has(ArgValues.ID)) { structid = sv.get(ArgValues.ID); } else { structfile = likelyStructure.getValue(); } } } if (structfile == null && structid != null) { StructureSelectionManager ssm = StructureSelectionManager .getStructureSelectionManager(Desktop.instance); if (ssm != null) { structfile = ssm.findFileForPDBId(structid); } } if (structfile != null && structfile.equals(structFilename)) { return av; } } } return null; } }