jalview/gui/StructureChooser.java

   1 /*
   2  * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$)
   3  * Copyright (C) $$Year-Rel$$ The Jalview Authors
   4  *
   5  * This file is part of Jalview.
   6  *
   7  * Jalview is free software: you can redistribute it and/or
   8  * modify it under the terms of the GNU General Public License
   9  * as published by the Free Software Foundation, either version 3
  10  * of the License, or (at your option) any later version.
  11  *
  12  * Jalview is distributed in the hope that it will be useful, but
  13  * WITHOUT ANY WARRANTY; without even the implied warranty
  14  * of MERCHANTABILITY or FITNESS FOR A PARTICULAR
  15  * PURPOSE.  See the GNU General Public License for more details.
  16  *
  17  * You should have received a copy of the GNU General Public License
  18  * along with Jalview.  If not, see <http://www.gnu.org/licenses/>.
  19  * The Jalview Authors are detailed in the 'AUTHORS' file.
  20  */
  21
  22 package jalview.gui;
  23
  24 import jalview.bin.Jalview;
  25 import jalview.datamodel.DBRefEntry;
  26 import jalview.datamodel.DBRefSource;
  27 import jalview.datamodel.PDBEntry;
  28 import jalview.datamodel.SequenceI;
  29 import jalview.fts.api.FTSData;
  30 import jalview.fts.api.FTSDataColumnI;
  31 import jalview.fts.api.FTSRestClientI;
  32 import jalview.fts.core.FTSRestRequest;
  33 import jalview.fts.core.FTSRestResponse;
  34 import jalview.fts.service.pdb.PDBFTSRestClient;
  35 import jalview.io.DataSourceType;
  36 import jalview.jbgui.GStructureChooser;
  37 import jalview.structure.StructureMapping;
  38 import jalview.structure.StructureSelectionManager;
  39 import jalview.util.MessageManager;
  40 import jalview.ws.DBRefFetcher;
  41 import jalview.ws.sifts.SiftsSettings;
  42
  43 import java.awt.event.ItemEvent;
  44 import java.util.ArrayList;
  45 import java.util.Collection;
  46 import java.util.HashSet;
  47 import java.util.LinkedHashSet;
  48 import java.util.List;
  49 import java.util.Objects;
  50 import java.util.Set;
  51 import java.util.Vector;
  52
  53 import javax.swing.JCheckBox;
  54 import javax.swing.JComboBox;
  55 import javax.swing.JLabel;
  56 import javax.swing.table.AbstractTableModel;
  57
  58 /**
  59  * Provides the behaviors for the Structure chooser Panel
  60  *
  61  * @author tcnofoegbu
  62  *
  63  */
  64 @SuppressWarnings("serial")
  65 public class StructureChooser extends GStructureChooser implements
  66         IProgressIndicator
  67 {
  68   private static int MAX_QLENGTH = 7820;
  69
  70   private SequenceI selectedSequence;
  71
  72   private SequenceI[] selectedSequences;
  73
  74   private IProgressIndicator progressIndicator;
  75
  76   private Collection<FTSData> discoveredStructuresSet;
  77
  78   private FTSRestRequest lastPdbRequest;
  79
  80   private FTSRestClientI pdbRestCleint;
  81
  82   private String selectedPdbFileName;
  83
  84   private boolean isValidPBDEntry;
  85
  86   private boolean cachedPDBExists;
  87
  88   public StructureChooser(SequenceI[] selectedSeqs, SequenceI selectedSeq,
  89           AlignmentPanel ap)
  90   {
  91     this.ap = ap;
  92     this.selectedSequence = selectedSeq;
  93     this.selectedSequences = selectedSeqs;
  94     this.progressIndicator = (ap == null) ? null : ap.alignFrame;
  95     init();
  96   }
  97
  98   /**
  99    * Initializes parameters used by the Structure Chooser Panel
 100    */
 101   public void init()
 102   {
 103     if (!Jalview.isHeadlessMode())
 104     {
 105       progressBar = new ProgressBar(this.statusPanel, this.statusBar);
 106     }
 107
 108     // ensure a filter option is in force for search
 109     populateFilterComboBox(true, cachedPDBExists);
 110     Thread discoverPDBStructuresThread = new Thread(new Runnable()
 111     {
 112       @Override
 113       public void run()
 114       {
 115         long startTime = System.currentTimeMillis();
 116         updateProgressIndicator(MessageManager
 117                 .getString("status.loading_cached_pdb_entries"), startTime);
 118         loadLocalCachedPDBEntries();
 119         updateProgressIndicator(null, startTime);
 120         updateProgressIndicator(MessageManager
 121                 .getString("status.searching_for_pdb_structures"),
 122                 startTime);
 123         fetchStructuresMetaData();
 124         // revise filter options if no results were found
 125         populateFilterComboBox(isStructuresDiscovered(), cachedPDBExists);
 126         updateProgressIndicator(null, startTime);
 127         mainFrame.setVisible(true);
 128         updateCurrentView();
 129       }
 130     });
 131     discoverPDBStructuresThread.start();
 132   }
 133
 134   /**
 135    * Updates the progress indicator with the specified message
 136    *
 137    * @param message
 138    *          displayed message for the operation
 139    * @param id
 140    *          unique handle for this indicator
 141    */
 142   public void updateProgressIndicator(String message, long id)
 143   {
 144     if (progressIndicator != null)
 145     {
 146       progressIndicator.setProgressBar(message, id);
 147     }
 148   }
 149
 150   /**
 151    * Retrieve meta-data for all the structure(s) for a given sequence(s) in a
 152    * selection group
 153    */
 154   public void fetchStructuresMetaData()
 155   {
 156     long startTime = System.currentTimeMillis();
 157     pdbRestCleint = PDBFTSRestClient.getInstance();
 158     Collection<FTSDataColumnI> wantedFields = pdbDocFieldPrefs
 159             .getStructureSummaryFields();
 160
 161     discoveredStructuresSet = new LinkedHashSet<FTSData>();
 162     HashSet<String> errors = new HashSet<String>();
 163     for (SequenceI seq : selectedSequences)
 164     {
 165       FTSRestRequest pdbRequest = new FTSRestRequest();
 166       pdbRequest.setAllowEmptySeq(false);
 167       pdbRequest.setResponseSize(500);
 168       pdbRequest.setFieldToSearchBy("(");
 169       FilterOption selectedFilterOpt = ((FilterOption) cmb_filterOption
 170               .getSelectedItem());
 171       pdbRequest.setFieldToSortBy(selectedFilterOpt.getValue(),
 172               !chk_invertFilter.isSelected());
 173       pdbRequest.setWantedFields(wantedFields);
 174       pdbRequest.setSearchTerm(buildQuery(seq) + ")");
 175       pdbRequest.setAssociatedSequence(seq);
 176       FTSRestResponse resultList;
 177       try
 178       {
 179         resultList = pdbRestCleint.executeRequest(pdbRequest);
 180       } catch (Exception e)
 181       {
 182         e.printStackTrace();
 183         errors.add(e.getMessage());
 184         continue;
 185       }
 186       lastPdbRequest = pdbRequest;
 187       if (resultList.getSearchSummary() != null
 188               && !resultList.getSearchSummary().isEmpty())
 189       {
 190         discoveredStructuresSet.addAll(resultList.getSearchSummary());
 191       }
 192     }
 193
 194     int noOfStructuresFound = 0;
 195     String totalTime = (System.currentTimeMillis() - startTime)
 196             + " milli secs";
 197     if (discoveredStructuresSet != null
 198             && !discoveredStructuresSet.isEmpty())
 199     {
 200       getResultTable().setModel(
 201               FTSRestResponse.getTableModel(lastPdbRequest,
 202                       discoveredStructuresSet));
 203       noOfStructuresFound = discoveredStructuresSet.size();
 204       mainFrame.setTitle(MessageManager.formatMessage(
 205               "label.structure_chooser_no_of_structures",
 206               noOfStructuresFound, totalTime));
 207     }
 208     else
 209     {
 210       mainFrame.setTitle(MessageManager
 211               .getString("label.structure_chooser_manual_association"));
 212       if (errors.size() > 0)
 213       {
 214         StringBuilder errorMsg = new StringBuilder();
 215         for (String error : errors)
 216         {
 217           errorMsg.append(error).append("\n");
 218         }
 219         JvOptionPane.showMessageDialog(this, errorMsg.toString(),
 220                 MessageManager.getString("label.pdb_web-service_error"),
 221                 JvOptionPane.ERROR_MESSAGE);
 222       }
 223     }
 224   }
 225
 226   public void loadLocalCachedPDBEntries()
 227   {
 228     ArrayList<CachedPDB> entries = new ArrayList<CachedPDB>();
 229     for (SequenceI seq : selectedSequences)
 230     {
 231       if (seq.getDatasetSequence() != null
 232               && seq.getDatasetSequence().getAllPDBEntries() != null)
 233       {
 234         for (PDBEntry pdbEntry : seq.getDatasetSequence()
 235                 .getAllPDBEntries())
 236         {
 237           if (pdbEntry.getFile() != null)
 238           {
 239             entries.add(new CachedPDB(seq, pdbEntry));
 240           }
 241         }
 242       }
 243     }
 244     cachedPDBExists = !entries.isEmpty();
 245     PDBEntryTableModel tableModelx = new PDBEntryTableModel(entries);
 246     tbl_local_pdb.setModel(tableModelx);
 247   }
 248
 249   /**
 250    * Builds a query string for a given sequences using its DBRef entries
 251    *
 252    * @param seq
 253    *          the sequences to build a query for
 254    * @return the built query string
 255    */
 256
 257   public static String buildQuery(SequenceI seq)
 258   {
 259     boolean isPDBRefsFound = false;
 260     boolean isUniProtRefsFound = false;
 261     StringBuilder queryBuilder = new StringBuilder();
 262     Set<String> seqRefs = new LinkedHashSet<String>();
 263
 264     if (seq.getAllPDBEntries() != null
 265             && queryBuilder.length() < MAX_QLENGTH)
 266     {
 267       for (PDBEntry entry : seq.getAllPDBEntries())
 268       {
 269         if (isValidSeqName(entry.getId()))
 270         {
 271           queryBuilder.append("pdb_id:")
 272                   .append(entry.getId().toLowerCase()).append(" OR ");
 273           isPDBRefsFound = true;
 274         }
 275       }
 276     }
 277
 278     if (seq.getDBRefs() != null && seq.getDBRefs().length != 0)
 279     {
 280       for (DBRefEntry dbRef : seq.getDBRefs())
 281       {
 282         if (isValidSeqName(getDBRefId(dbRef))
 283                 && queryBuilder.length() < MAX_QLENGTH)
 284         {
 285           if (dbRef.getSource().equalsIgnoreCase(DBRefSource.UNIPROT))
 286           {
 287             queryBuilder.append("uniprot_accession:")
 288                     .append(getDBRefId(dbRef)).append(" OR ");
 289             queryBuilder.append("uniprot_id:").append(getDBRefId(dbRef))
 290                     .append(" OR ");
 291             isUniProtRefsFound = true;
 292           }
 293           else if (dbRef.getSource().equalsIgnoreCase(DBRefSource.PDB))
 294           {
 295
 296             queryBuilder.append("pdb_id:")
 297                     .append(getDBRefId(dbRef).toLowerCase()).append(" OR ");
 298             isPDBRefsFound = true;
 299           }
 300           else
 301           {
 302             seqRefs.add(getDBRefId(dbRef));
 303           }
 304         }
 305       }
 306     }
 307
 308     if (!isPDBRefsFound && !isUniProtRefsFound)
 309     {
 310       String seqName = seq.getName();
 311       seqName = sanitizeSeqName(seqName);
 312       String[] names = seqName.toLowerCase().split("\\|");
 313       for (String name : names)
 314       {
 315         // System.out.println("Found name : " + name);
 316         name.trim();
 317         if (isValidSeqName(name))
 318         {
 319           seqRefs.add(name);
 320         }
 321       }
 322
 323       for (String seqRef : seqRefs)
 324       {
 325         queryBuilder.append("text:").append(seqRef).append(" OR ");
 326       }
 327     }
 328
 329     int endIndex = queryBuilder.lastIndexOf(" OR ");
 330     if (queryBuilder.toString().length() < 6)
 331     {
 332       return null;
 333     }
 334     String query = queryBuilder.toString().substring(0, endIndex);
 335     return query;
 336   }
 337
 338   /**
 339    * Remove the following special characters from input string +, -, &, !, (, ),
 340    * {, }, [, ], ^, ", ~, *, ?, :, \
 341    *
 342    * @param seqName
 343    * @return
 344    */
 345   static String sanitizeSeqName(String seqName)
 346   {
 347     Objects.requireNonNull(seqName);
 348     return seqName.replaceAll("\\[\\d*\\]", "")
 349             .replaceAll("[^\\dA-Za-z|_]", "").replaceAll("\\s+", "+");
 350   }
 351
 352   /**
 353    * Ensures sequence ref names are not less than 3 characters and does not
 354    * contain a database name
 355    *
 356    * @param seqName
 357    * @return
 358    */
 359   public static boolean isValidSeqName(String seqName)
 360   {
 361     // System.out.println("seqName : " + seqName);
 362     String ignoreList = "pdb,uniprot,swiss-prot";
 363     if (seqName.length() < 3)
 364     {
 365       return false;
 366     }
 367     if (seqName.contains(":"))
 368     {
 369       return false;
 370     }
 371     seqName = seqName.toLowerCase();
 372     for (String ignoredEntry : ignoreList.split(","))
 373     {
 374       if (seqName.contains(ignoredEntry))
 375       {
 376         return false;
 377       }
 378     }
 379     return true;
 380   }
 381
 382   public static String getDBRefId(DBRefEntry dbRef)
 383   {
 384     String ref = dbRef.getAccessionId().replaceAll("GO:", "");
 385     return ref;
 386   }
 387
 388   /**
 389    * Filters a given list of discovered structures based on supplied argument
 390    *
 391    * @param fieldToFilterBy
 392    *          the field to filter by
 393    */
 394   public void filterResultSet(final String fieldToFilterBy)
 395   {
 396     Thread filterThread = new Thread(new Runnable()
 397     {
 398       @Override
 399       public void run()
 400       {
 401         long startTime = System.currentTimeMillis();
 402         pdbRestCleint = PDBFTSRestClient.getInstance();
 403         lbl_loading.setVisible(true);
 404         Collection<FTSDataColumnI> wantedFields = pdbDocFieldPrefs
 405                 .getStructureSummaryFields();
 406         Collection<FTSData> filteredResponse = new HashSet<FTSData>();
 407         HashSet<String> errors = new HashSet<String>();
 408
 409         for (SequenceI seq : selectedSequences)
 410         {
 411           FTSRestRequest pdbRequest = new FTSRestRequest();
 412           if (fieldToFilterBy.equalsIgnoreCase("uniprot_coverage"))
 413           {
 414             pdbRequest.setAllowEmptySeq(false);
 415             pdbRequest.setResponseSize(1);
 416             pdbRequest.setFieldToSearchBy("(");
 417             pdbRequest.setSearchTerm(buildQuery(seq) + ")");
 418             pdbRequest.setWantedFields(wantedFields);
 419             pdbRequest.setAssociatedSequence(seq);
 420             pdbRequest.setFacet(true);
 421             pdbRequest.setFacetPivot(fieldToFilterBy + ",entry_entity");
 422             pdbRequest.setFacetPivotMinCount(1);
 423           }
 424           else
 425           {
 426             pdbRequest.setAllowEmptySeq(false);
 427             pdbRequest.setResponseSize(1);
 428             pdbRequest.setFieldToSearchBy("(");
 429             pdbRequest.setFieldToSortBy(fieldToFilterBy,
 430                     !chk_invertFilter.isSelected());
 431             pdbRequest.setSearchTerm(buildQuery(seq) + ")");
 432             pdbRequest.setWantedFields(wantedFields);
 433             pdbRequest.setAssociatedSequence(seq);
 434           }
 435           FTSRestResponse resultList;
 436           try
 437           {
 438             resultList = pdbRestCleint.executeRequest(pdbRequest);
 439           } catch (Exception e)
 440           {
 441             e.printStackTrace();
 442             errors.add(e.getMessage());
 443             continue;
 444           }
 445           lastPdbRequest = pdbRequest;
 446           if (resultList.getSearchSummary() != null
 447                   && !resultList.getSearchSummary().isEmpty())
 448           {
 449             filteredResponse.addAll(resultList.getSearchSummary());
 450           }
 451         }
 452
 453         String totalTime = (System.currentTimeMillis() - startTime)
 454                 + " milli secs";
 455         if (!filteredResponse.isEmpty())
 456         {
 457           final int filterResponseCount = filteredResponse.size();
 458           Collection<FTSData> reorderedStructuresSet = new LinkedHashSet<FTSData>();
 459           reorderedStructuresSet.addAll(filteredResponse);
 460           reorderedStructuresSet.addAll(discoveredStructuresSet);
 461           getResultTable().setModel(
 462                   FTSRestResponse.getTableModel(lastPdbRequest,
 463                           reorderedStructuresSet));
 464
 465           FTSRestResponse.configureTableColumn(getResultTable(),
 466                   wantedFields, tempUserPrefs);
 467           getResultTable().getColumn("Ref Sequence").setPreferredWidth(120);
 468           getResultTable().getColumn("Ref Sequence").setMinWidth(100);
 469           getResultTable().getColumn("Ref Sequence").setMaxWidth(200);
 470           // Update table selection model here
 471           getResultTable().addRowSelectionInterval(0,
 472                   filterResponseCount - 1);
 473           mainFrame.setTitle(MessageManager.formatMessage(
 474                   "label.structure_chooser_filter_time", totalTime));
 475         }
 476         else
 477         {
 478           mainFrame.setTitle(MessageManager.formatMessage(
 479                   "label.structure_chooser_filter_time", totalTime));
 480           if (errors.size() > 0)
 481           {
 482             StringBuilder errorMsg = new StringBuilder();
 483             for (String error : errors)
 484             {
 485               errorMsg.append(error).append("\n");
 486             }
 487             JvOptionPane.showMessageDialog(
 488                     null,
 489                     errorMsg.toString(),
 490                     MessageManager.getString("label.pdb_web-service_error"),
 491                     JvOptionPane.ERROR_MESSAGE);
 492           }
 493         }
 494
 495         lbl_loading.setVisible(false);
 496
 497         validateSelections();
 498       }
 499     });
 500     filterThread.start();
 501   }
 502
 503   /**
 504    * Handles action event for btn_pdbFromFile
 505    */
 506   @Override
 507   public void pdbFromFile_actionPerformed()
 508   {
 509     jalview.io.JalviewFileChooser chooser = new jalview.io.JalviewFileChooser(
 510             jalview.bin.Cache.getProperty("LAST_DIRECTORY"));
 511     chooser.setFileView(new jalview.io.JalviewFileView());
 512     chooser.setDialogTitle(MessageManager.formatMessage(
 513             "label.select_pdb_file_for",
 514             selectedSequence.getDisplayId(false)));
 515     chooser.setToolTipText(MessageManager.formatMessage(
 516             "label.load_pdb_file_associate_with_sequence",
 517             selectedSequence.getDisplayId(false)));
 518
 519     int value = chooser.showOpenDialog(null);
 520     if (value == jalview.io.JalviewFileChooser.APPROVE_OPTION)
 521     {
 522       selectedPdbFileName = chooser.getSelectedFile().getPath();
 523       jalview.bin.Cache.setProperty("LAST_DIRECTORY", selectedPdbFileName);
 524       validateSelections();
 525     }
 526   }
 527
 528   /**
 529    * Populates the filter combo-box options dynamically depending on discovered
 530    * structures
 531    */
 532   protected void populateFilterComboBox(boolean haveData,
 533           boolean cachedPDBExists)
 534   {
 535     /*
 536      * temporarily suspend the change listener behaviour
 537      */
 538     cmb_filterOption.removeItemListener(this);
 539
 540     cmb_filterOption.removeAllItems();
 541     if (haveData)
 542     {
 543       cmb_filterOption.addItem(new FilterOption("Best Quality",
 544               "overall_quality", VIEWS_FILTER, false));
 545       cmb_filterOption.addItem(new FilterOption("Best Resolution",
 546               "resolution", VIEWS_FILTER, false));
 547       cmb_filterOption.addItem(new FilterOption("Most Protein Chain",
 548               "number_of_protein_chains", VIEWS_FILTER, false));
 549       cmb_filterOption.addItem(new FilterOption("Most Bound Molecules",
 550               "number_of_bound_molecules", VIEWS_FILTER, false));
 551       cmb_filterOption.addItem(new FilterOption("Most Polymer Residues",
 552               "number_of_polymer_residues", VIEWS_FILTER, true));
 553     }
 554     cmb_filterOption.addItem(new FilterOption("Enter PDB Id", "-",
 555             VIEWS_ENTER_ID, false));
 556     cmb_filterOption.addItem(new FilterOption("From File", "-",
 557             VIEWS_FROM_FILE, false));
 558
 559     if (cachedPDBExists)
 560     {
 561       FilterOption cachedOption = new FilterOption("Cached PDB Entries",
 562               "-", VIEWS_LOCAL_PDB, false);
 563       cmb_filterOption.addItem(cachedOption);
 564       cmb_filterOption.setSelectedItem(cachedOption);
 565     }
 566
 567     cmb_filterOption.addItemListener(this);
 568   }
 569
 570   /**
 571    * Updates the displayed view based on the selected filter option
 572    */
 573   protected void updateCurrentView()
 574   {
 575     FilterOption selectedFilterOpt = ((FilterOption) cmb_filterOption
 576             .getSelectedItem());
 577     layout_switchableViews.show(pnl_switchableViews,
 578             selectedFilterOpt.getView());
 579     String filterTitle = mainFrame.getTitle();
 580     mainFrame.setTitle(frameTitle);
 581     chk_invertFilter.setVisible(false);
 582     if (selectedFilterOpt.getView() == VIEWS_FILTER)
 583     {
 584       mainFrame.setTitle(filterTitle);
 585       chk_invertFilter.setVisible(true);
 586       filterResultSet(selectedFilterOpt.getValue());
 587     }
 588     else if (selectedFilterOpt.getView() == VIEWS_ENTER_ID
 589             || selectedFilterOpt.getView() == VIEWS_FROM_FILE)
 590     {
 591       mainFrame.setTitle(MessageManager
 592               .getString("label.structure_chooser_manual_association"));
 593       idInputAssSeqPanel.loadCmbAssSeq();
 594       fileChooserAssSeqPanel.loadCmbAssSeq();
 595     }
 596     validateSelections();
 597   }
 598
 599   /**
 600    * Validates user selection and activates the view button if all parameters
 601    * are correct
 602    */
 603   @Override
 604   public void validateSelections()
 605   {
 606     FilterOption selectedFilterOpt = ((FilterOption) cmb_filterOption
 607             .getSelectedItem());
 608     btn_view.setEnabled(false);
 609     String currentView = selectedFilterOpt.getView();
 610     if (currentView == VIEWS_FILTER)
 611     {
 612       if (getResultTable().getSelectedRows().length > 0)
 613       {
 614         btn_view.setEnabled(true);
 615       }
 616     }
 617     else if (currentView == VIEWS_LOCAL_PDB)
 618     {
 619       if (tbl_local_pdb.getSelectedRows().length > 0)
 620       {
 621         btn_view.setEnabled(true);
 622       }
 623     }
 624     else if (currentView == VIEWS_ENTER_ID)
 625     {
 626       validateAssociationEnterPdb();
 627     }
 628     else if (currentView == VIEWS_FROM_FILE)
 629     {
 630       validateAssociationFromFile();
 631     }
 632   }
 633
 634   /**
 635    * Validates inputs from the Manual PDB entry panel
 636    */
 637   public void validateAssociationEnterPdb()
 638   {
 639     AssociateSeqOptions assSeqOpt = (AssociateSeqOptions) idInputAssSeqPanel
 640             .getCmb_assSeq().getSelectedItem();
 641     lbl_pdbManualFetchStatus.setIcon(errorImage);
 642     lbl_pdbManualFetchStatus.setToolTipText("");
 643     if (txt_search.getText().length() > 0)
 644     {
 645       lbl_pdbManualFetchStatus
 646               .setToolTipText(JvSwingUtils.wrapTooltip(true, MessageManager
 647                       .formatMessage("info.no_pdb_entry_found_for",
 648                               txt_search.getText())));
 649     }
 650
 651     if (errorWarning.length() > 0)
 652     {
 653       lbl_pdbManualFetchStatus.setIcon(warningImage);
 654       lbl_pdbManualFetchStatus.setToolTipText(JvSwingUtils.wrapTooltip(
 655               true, errorWarning.toString()));
 656     }
 657
 658     if (selectedSequences.length == 1
 659             || !assSeqOpt.getName().equalsIgnoreCase(
 660                     "-Select Associated Seq-"))
 661     {
 662       txt_search.setEnabled(true);
 663       if (isValidPBDEntry)
 664       {
 665         btn_view.setEnabled(true);
 666         lbl_pdbManualFetchStatus.setToolTipText("");
 667         lbl_pdbManualFetchStatus.setIcon(goodImage);
 668       }
 669     }
 670     else
 671     {
 672       txt_search.setEnabled(false);
 673       lbl_pdbManualFetchStatus.setIcon(errorImage);
 674     }
 675   }
 676
 677   /**
 678    * Validates inputs for the manual PDB file selection options
 679    */
 680   public void validateAssociationFromFile()
 681   {
 682     AssociateSeqOptions assSeqOpt = (AssociateSeqOptions) fileChooserAssSeqPanel
 683             .getCmb_assSeq().getSelectedItem();
 684     lbl_fromFileStatus.setIcon(errorImage);
 685     if (selectedSequences.length == 1
 686             || (assSeqOpt != null && !assSeqOpt.getName().equalsIgnoreCase(
 687                     "-Select Associated Seq-")))
 688     {
 689       btn_pdbFromFile.setEnabled(true);
 690       if (selectedPdbFileName != null && selectedPdbFileName.length() > 0)
 691       {
 692         btn_view.setEnabled(true);
 693         lbl_fromFileStatus.setIcon(goodImage);
 694       }
 695     }
 696     else
 697     {
 698       btn_pdbFromFile.setEnabled(false);
 699       lbl_fromFileStatus.setIcon(errorImage);
 700     }
 701   }
 702
 703   @Override
 704   public void cmbAssSeqStateChanged()
 705   {
 706     validateSelections();
 707   }
 708
 709   /**
 710    * Handles the state change event for the 'filter' combo-box and 'invert'
 711    * check-box
 712    */
 713   @Override
 714   protected void stateChanged(ItemEvent e)
 715   {
 716     if (e.getSource() instanceof JCheckBox)
 717     {
 718       updateCurrentView();
 719     }
 720     else
 721     {
 722       if (e.getStateChange() == ItemEvent.SELECTED)
 723       {
 724         updateCurrentView();
 725       }
 726     }
 727
 728   }
 729
 730   /**
 731    * Handles action event for btn_ok
 732    */
 733   @Override
 734   public void ok_ActionPerformed()
 735   {
 736     final long progressSessionId = System.currentTimeMillis();
 737     final StructureSelectionManager ssm = ap.getStructureSelectionManager();
 738     final int preferredHeight = pnl_filter.getHeight();
 739     ssm.setProgressIndicator(this);
 740     ssm.setProgressSessionId(progressSessionId);
 741     new Thread(new Runnable()
 742     {
 743       @Override
 744       public void run()
 745       {
 746         FilterOption selectedFilterOpt = ((FilterOption) cmb_filterOption
 747                 .getSelectedItem());
 748         String currentView = selectedFilterOpt.getView();
 749         if (currentView == VIEWS_FILTER)
 750         {
 751           int pdbIdColIndex = getResultTable().getColumn("PDB Id")
 752                   .getModelIndex();
 753           int refSeqColIndex = getResultTable().getColumn("Ref Sequence")
 754                   .getModelIndex();
 755           int[] selectedRows = getResultTable().getSelectedRows();
 756           PDBEntry[] pdbEntriesToView = new PDBEntry[selectedRows.length];
 757           int count = 0;
 758           List<SequenceI> selectedSeqsToView = new ArrayList<SequenceI>();
 759           for (int row : selectedRows)
 760           {
 761             String pdbIdStr = getResultTable().getValueAt(row,
 762                     pdbIdColIndex).toString();
 763             SequenceI selectedSeq = (SequenceI) getResultTable()
 764                     .getValueAt(row, refSeqColIndex);
 765             selectedSeqsToView.add(selectedSeq);
 766             PDBEntry pdbEntry = selectedSeq.getPDBEntry(pdbIdStr);
 767             if (pdbEntry == null)
 768             {
 769               pdbEntry = getFindEntry(pdbIdStr,
 770                       selectedSeq.getAllPDBEntries());
 771             }
 772             if (pdbEntry == null)
 773             {
 774               pdbEntry = new PDBEntry();
 775               pdbEntry.setId(pdbIdStr);
 776               pdbEntry.setType(PDBEntry.Type.PDB);
 777               selectedSeq.getDatasetSequence().addPDBId(pdbEntry);
 778             }
 779             pdbEntriesToView[count++] = pdbEntry;
 780           }
 781           SequenceI[] selectedSeqs = selectedSeqsToView
 782                   .toArray(new SequenceI[selectedSeqsToView.size()]);
 783           launchStructureViewer(ssm, pdbEntriesToView, ap, selectedSeqs);
 784         }
 785         else if (currentView == VIEWS_LOCAL_PDB)
 786         {
 787           int[] selectedRows = tbl_local_pdb.getSelectedRows();
 788           PDBEntry[] pdbEntriesToView = new PDBEntry[selectedRows.length];
 789           int count = 0;
 790           int pdbIdColIndex = tbl_local_pdb.getColumn("PDB Id")
 791                   .getModelIndex();
 792           int refSeqColIndex = tbl_local_pdb.getColumn("Ref Sequence")
 793                   .getModelIndex();
 794           List<SequenceI> selectedSeqsToView = new ArrayList<SequenceI>();
 795           for (int row : selectedRows)
 796           {
 797             PDBEntry pdbEntry = (PDBEntry) tbl_local_pdb.getValueAt(row,
 798                     pdbIdColIndex);
 799             pdbEntriesToView[count++] = pdbEntry;
 800             SequenceI selectedSeq = (SequenceI) tbl_local_pdb.getValueAt(
 801                     row, refSeqColIndex);
 802             selectedSeqsToView.add(selectedSeq);
 803           }
 804           SequenceI[] selectedSeqs = selectedSeqsToView
 805                   .toArray(new SequenceI[selectedSeqsToView.size()]);
 806           launchStructureViewer(ssm, pdbEntriesToView, ap, selectedSeqs);
 807         }
 808         else if (currentView == VIEWS_ENTER_ID)
 809         {
 810           SequenceI userSelectedSeq = ((AssociateSeqOptions) idInputAssSeqPanel
 811                   .getCmb_assSeq().getSelectedItem()).getSequence();
 812           if (userSelectedSeq != null)
 813           {
 814             selectedSequence = userSelectedSeq;
 815           }
 816
 817           String pdbIdStr = txt_search.getText();
 818           PDBEntry pdbEntry = selectedSequence.getPDBEntry(pdbIdStr);
 819           if (pdbEntry == null)
 820           {
 821             pdbEntry = new PDBEntry();
 822             if (pdbIdStr.split(":").length > 1)
 823             {
 824               pdbEntry.setId(pdbIdStr.split(":")[0]);
 825               pdbEntry.setChainCode(pdbIdStr.split(":")[1].toUpperCase());
 826             }
 827             else
 828             {
 829               pdbEntry.setId(pdbIdStr);
 830             }
 831             pdbEntry.setType(PDBEntry.Type.PDB);
 832             selectedSequence.getDatasetSequence().addPDBId(pdbEntry);
 833           }
 834
 835           PDBEntry[] pdbEntriesToView = new PDBEntry[] { pdbEntry };
 836           launchStructureViewer(ssm, pdbEntriesToView, ap,
 837                   new SequenceI[] { selectedSequence });
 838     }
 839     else if (currentView == VIEWS_FROM_FILE)
 840     {
 841       SequenceI userSelectedSeq = ((AssociateSeqOptions) fileChooserAssSeqPanel
 842               .getCmb_assSeq().getSelectedItem()).getSequence();
 843       if (userSelectedSeq != null)
 844       {
 845         selectedSequence = userSelectedSeq;
 846       }
 847       PDBEntry fileEntry = new AssociatePdbFileWithSeq()
 848               .associatePdbWithSeq(selectedPdbFileName,
 849                           DataSourceType.FILE,
 850                       selectedSequence, true, Desktop.instance);
 851
 852           launchStructureViewer(ssm, new PDBEntry[] { fileEntry }, ap,
 853                   new SequenceI[] { selectedSequence });
 854         }
 855         closeAction(preferredHeight);
 856       }
 857     }).start();
 858   }
 859
 860   private PDBEntry getFindEntry(String id, Vector<PDBEntry> pdbEntries)
 861   {
 862     Objects.requireNonNull(id);
 863     Objects.requireNonNull(pdbEntries);
 864     PDBEntry foundEntry = null;
 865     for (PDBEntry entry : pdbEntries)
 866     {
 867       if (entry.getId().equalsIgnoreCase(id))
 868       {
 869         return entry;
 870       }
 871     }
 872     return foundEntry;
 873   }
 874
 875   private void launchStructureViewer(StructureSelectionManager ssm,
 876           final PDBEntry[] pdbEntriesToView,
 877           final AlignmentPanel alignPanel, SequenceI[] sequences)
 878   {
 879     ssm.setProgressBar(MessageManager
 880             .getString("status.launching_3d_structure_viewer"));
 881     final StructureViewer sViewer = new StructureViewer(ssm);
 882
 883     if (SiftsSettings.isMapWithSifts())
 884     {
 885       List<SequenceI> seqsWithoutSourceDBRef = new ArrayList<SequenceI>();
 886       int p = 0;
 887       // TODO: skip PDBEntry:Sequence pairs where PDBEntry doesn't look like a
 888       // real PDB ID. For moment, we can also safely do this if there is already
 889       // a known mapping between the PDBEntry and the sequence.
 890       for (SequenceI seq : sequences)
 891       {
 892         PDBEntry pdbe = pdbEntriesToView[p++];
 893         if (pdbe != null && pdbe.getFile() != null)
 894         {
 895           StructureMapping[] smm = ssm.getMapping(pdbe.getFile());
 896           if (smm != null && smm.length > 0)
 897           {
 898             for (StructureMapping sm : smm)
 899             {
 900               if (sm.getSequence() == seq)
 901               {
 902                 continue;
 903               }
 904             }
 905           }
 906         }
 907         if (seq.getPrimaryDBRefs().size() == 0)
 908         {
 909           seqsWithoutSourceDBRef.add(seq);
 910           continue;
 911         }
 912       }
 913       if (!seqsWithoutSourceDBRef.isEmpty())
 914       {
 915         int y = seqsWithoutSourceDBRef.size();
 916         ssm.setProgressBar(null);
 917         ssm.setProgressBar(MessageManager.formatMessage(
 918                 "status.fetching_dbrefs_for_sequences_without_valid_refs",
 919                 y));
 920         SequenceI[] seqWithoutSrcDBRef = new SequenceI[y];
 921         int x = 0;
 922         for (SequenceI fSeq : seqsWithoutSourceDBRef)
 923         {
 924           seqWithoutSrcDBRef[x++] = fSeq;
 925         }
 926         DBRefFetcher dbRefFetcher = new DBRefFetcher(seqWithoutSrcDBRef);
 927         dbRefFetcher.fetchDBRefs(true);
 928       }
 929     }
 930     if (pdbEntriesToView.length > 1)
 931     {
 932       ArrayList<SequenceI[]> seqsMap = new ArrayList<SequenceI[]>();
 933       for (SequenceI seq : sequences)
 934       {
 935         seqsMap.add(new SequenceI[] { seq });
 936       }
 937       SequenceI[][] collatedSeqs = seqsMap.toArray(new SequenceI[0][0]);
 938       ssm.setProgressBar(null);
 939       ssm.setProgressBar(MessageManager
 940               .getString("status.fetching_3d_structures_for_selected_entries"));
 941       sViewer.viewStructures(pdbEntriesToView, collatedSeqs, alignPanel);
 942     }
 943     else
 944     {
 945       ssm.setProgressBar(null);
 946       ssm.setProgressBar(MessageManager.formatMessage(
 947               "status.fetching_3d_structures_for",
 948               pdbEntriesToView[0].getId()));
 949       sViewer.viewStructures(pdbEntriesToView[0], sequences, alignPanel);
 950     }
 951   }
 952
 953   /**
 954    * Populates the combo-box used in associating manually fetched structures to
 955    * a unique sequence when more than one sequence selection is made.
 956    */
 957   @Override
 958   public void populateCmbAssociateSeqOptions(
 959           JComboBox<AssociateSeqOptions> cmb_assSeq, JLabel lbl_associateSeq)
 960   {
 961     cmb_assSeq.removeAllItems();
 962     cmb_assSeq.addItem(new AssociateSeqOptions("-Select Associated Seq-",
 963             null));
 964     lbl_associateSeq.setVisible(false);
 965     if (selectedSequences.length > 1)
 966     {
 967       for (SequenceI seq : selectedSequences)
 968       {
 969         cmb_assSeq.addItem(new AssociateSeqOptions(seq));
 970       }
 971     }
 972     else
 973     {
 974       String seqName = selectedSequence.getDisplayId(false);
 975       seqName = seqName.length() <= 40 ? seqName : seqName.substring(0, 39);
 976       lbl_associateSeq.setText(seqName);
 977       lbl_associateSeq.setVisible(true);
 978       cmb_assSeq.setVisible(false);
 979     }
 980   }
 981
 982   public boolean isStructuresDiscovered()
 983   {
 984     return discoveredStructuresSet != null
 985             && !discoveredStructuresSet.isEmpty();
 986   }
 987
 988   public Collection<FTSData> getDiscoveredStructuresSet()
 989   {
 990     return discoveredStructuresSet;
 991   }
 992
 993   @Override
 994   protected void txt_search_ActionPerformed()
 995   {
 996     new Thread()
 997     {
 998       @Override
 999       public void run()
1000       {
1001         errorWarning.setLength(0);
1002         isValidPBDEntry = false;
1003         if (txt_search.getText().length() > 0)
1004         {
1005           String searchTerm = txt_search.getText().toLowerCase();
1006           searchTerm = searchTerm.split(":")[0];
1007           // System.out.println(">>>>> search term : " + searchTerm);
1008           List<FTSDataColumnI> wantedFields = new ArrayList<FTSDataColumnI>();
1009           FTSRestRequest pdbRequest = new FTSRestRequest();
1010           pdbRequest.setAllowEmptySeq(false);
1011           pdbRequest.setResponseSize(1);
1012           pdbRequest.setFieldToSearchBy("(pdb_id:");
1013           pdbRequest.setWantedFields(wantedFields);
1014           pdbRequest.setSearchTerm(searchTerm + ")");
1015           pdbRequest.setAssociatedSequence(selectedSequence);
1016           pdbRestCleint = PDBFTSRestClient.getInstance();
1017           wantedFields.add(pdbRestCleint.getPrimaryKeyColumn());
1018           FTSRestResponse resultList;
1019           try
1020           {
1021             resultList = pdbRestCleint.executeRequest(pdbRequest);
1022           } catch (Exception e)
1023           {
1024             errorWarning.append(e.getMessage());
1025             return;
1026           } finally
1027           {
1028             validateSelections();
1029           }
1030           if (resultList.getSearchSummary() != null
1031                   && resultList.getSearchSummary().size() > 0)
1032           {
1033             isValidPBDEntry = true;
1034           }
1035         }
1036         validateSelections();
1037       }
1038     }.start();
1039   }
1040
1041   @Override
1042   public void tabRefresh()
1043   {
1044     if (selectedSequences != null)
1045     {
1046       Thread refreshThread = new Thread(new Runnable()
1047       {
1048         @Override
1049         public void run()
1050         {
1051           fetchStructuresMetaData();
1052           filterResultSet(((FilterOption) cmb_filterOption
1053                   .getSelectedItem()).getValue());
1054         }
1055       });
1056       refreshThread.start();
1057     }
1058   }
1059
1060   public class PDBEntryTableModel extends AbstractTableModel
1061   {
1062     String[] columns = { "Ref Sequence", "PDB Id", "Chain", "Type", "File" };
1063
1064     private List<CachedPDB> pdbEntries;
1065
1066     public PDBEntryTableModel(List<CachedPDB> pdbEntries)
1067     {
1068       this.pdbEntries = new ArrayList<CachedPDB>(pdbEntries);
1069     }
1070
1071     @Override
1072     public String getColumnName(int columnIndex)
1073     {
1074       return columns[columnIndex];
1075     }
1076
1077     @Override
1078     public int getRowCount()
1079     {
1080       return pdbEntries.size();
1081     }
1082
1083     @Override
1084     public int getColumnCount()
1085     {
1086       return columns.length;
1087     }
1088
1089     @Override
1090     public boolean isCellEditable(int row, int column)
1091     {
1092       return false;
1093     }
1094
1095     @Override
1096     public Object getValueAt(int rowIndex, int columnIndex)
1097     {
1098       Object value = "??";
1099       CachedPDB entry = pdbEntries.get(rowIndex);
1100       switch (columnIndex)
1101       {
1102       case 0:
1103         value = entry.getSequence();
1104         break;
1105       case 1:
1106         value = entry.getPdbEntry();
1107         break;
1108       case 2:
1109         value = entry.getPdbEntry().getChainCode() == null ? "_" : entry
1110                 .getPdbEntry().getChainCode();
1111         break;
1112       case 3:
1113         value = entry.getPdbEntry().getType();
1114         break;
1115       case 4:
1116         value = entry.getPdbEntry().getFile();
1117         break;
1118       }
1119       return value;
1120     }
1121
1122     @Override
1123     public Class<?> getColumnClass(int columnIndex)
1124     {
1125       return columnIndex == 0 ? SequenceI.class : PDBEntry.class;
1126     }
1127
1128     public CachedPDB getPDBEntryAt(int row)
1129     {
1130       return pdbEntries.get(row);
1131     }
1132
1133   }
1134
1135   private class CachedPDB
1136   {
1137     private SequenceI sequence;
1138
1139     private PDBEntry pdbEntry;
1140
1141     public CachedPDB(SequenceI sequence, PDBEntry pdbEntry)
1142     {
1143       this.sequence = sequence;
1144       this.pdbEntry = pdbEntry;
1145     }
1146
1147     public SequenceI getSequence()
1148     {
1149       return sequence;
1150     }
1151
1152     public PDBEntry getPdbEntry()
1153     {
1154       return pdbEntry;
1155     }
1156
1157   }
1158
1159   private IProgressIndicator progressBar;
1160
1161   @Override
1162   public void setProgressBar(String message, long id)
1163   {
1164     progressBar.setProgressBar(message, id);
1165   }
1166
1167   @Override
1168   public void registerHandler(long id, IProgressIndicatorHandler handler)
1169   {
1170     progressBar.registerHandler(id, handler);
1171   }
1172
1173   @Override
1174   public boolean operationInProgress()
1175   {
1176     return progressBar.operationInProgress();
1177   }
1178 }