X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fgui%2FStructureChooser.java;h=976b77b9c89227e3995c2a4cd095e2802729cfef;hb=7a1a7eea9501cd9e3841e996f4926cf1686be76a;hp=07e36ec7b4f3bd3d8c9986725d28a767490513ea;hpb=7d76e402efd4e04e179bc9bb264551bc2d3df936;p=jalview.git diff --git a/src/jalview/gui/StructureChooser.java b/src/jalview/gui/StructureChooser.java index 07e36ec..976b77b 100644 --- a/src/jalview/gui/StructureChooser.java +++ b/src/jalview/gui/StructureChooser.java @@ -1,273 +1,915 @@ +/* + + * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.2) + * Copyright (C) 2014 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. + * + * 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 . + * The Jalview Authors are detailed in the 'AUTHORS' file. + */ + package jalview.gui; import jalview.datamodel.DBRefEntry; import jalview.datamodel.PDBEntry; import jalview.datamodel.SequenceI; import jalview.jbgui.GStructureChooser; +import jalview.jbgui.PDBDocFieldPreferences; +import jalview.structure.StructureSelectionManager; import jalview.util.MessageManager; import jalview.ws.dbsources.PDBRestClient; -import jalview.ws.uimodel.PDBSearchRequest; -import jalview.ws.uimodel.PDBSearchResponse; -import jalview.ws.uimodel.PDBSummaryListModel; -import jalview.ws.uimodel.PDBSummaryListModel.PDBDocField; +import jalview.ws.dbsources.PDBRestClient.PDBDocField; +import jalview.ws.uimodel.PDBRestRequest; +import jalview.ws.uimodel.PDBRestResponse; +import jalview.ws.uimodel.PDBRestResponse.PDBResponseSummary; +import java.awt.event.ItemEvent; import java.util.ArrayList; import java.util.Collection; import java.util.HashSet; +import java.util.Hashtable; +import java.util.LinkedHashSet; import java.util.List; +import javax.swing.JCheckBox; +import javax.swing.JComboBox; +import javax.swing.JLabel; import javax.swing.JOptionPane; -import javax.swing.SwingUtilities; +import javax.swing.table.DefaultTableModel; + +/** + * Provides the behaviors for the Structure chooser Panel + * + * @author tcnofoegbu + * + */ @SuppressWarnings("serial") public class StructureChooser extends GStructureChooser { + private boolean structuresDiscovered = false; + + private SequenceI selectedSequence; + + private SequenceI[] selectedSequences; + + private IProgressIndicator progressIndicator; + + private Collection discoveredStructuresSet; + + private PDBRestRequest lastPdbRequest; + + private PDBRestClient pdbRestCleint; + private String selectedPdbFileName; - private SequenceI sequence; + private boolean isValidPBDEntry; + private static Hashtable cachedEntryMap; - public StructureChooser(AlignmentPanel ap, final SequenceI sequence) + public StructureChooser(SequenceI[] selectedSeqs, SequenceI selectedSeq, + AlignmentPanel ap) { this.ap = ap; - this.sequence = sequence; - fetchStructures(); + this.selectedSequence = selectedSeq; + this.selectedSequences = selectedSeqs; + this.progressIndicator = (ap == null) ? null : ap.alignFrame; + init(); } - @Override - public void ok_ActionPerformed() + /** + * Initializes parameters used by the Structure Chooser Panel + */ + public void init() { - jListFoundStructures.setSelectedValue("op1x", true); + Thread discoverPDBStructuresThread = new Thread(new Runnable() + { + @Override + public void run() + { + long startTime = System.currentTimeMillis(); + updateProgressIndicator(MessageManager + .getString("status.loading_cached_pdb_entries"), startTime); + loadLocalCachedPDBEntries(); + updateProgressIndicator(null, startTime); + updateProgressIndicator(MessageManager + .getString("status.searching_for_pdb_structures"), + startTime); + fetchStructuresMetaData(); + populateFilterComboBox(); + updateProgressIndicator(null, startTime); + mainFrame.setVisible(true); + updateCurrentView(); + } + }); + discoverPDBStructuresThread.start(); } - public void pdbFromFile_actionPerformed() + /** + * Updates the progress indicator with the specified message + * + * @param message + * displayed message for the operation + * @param id + * unique handle for this indicator + */ + public void updateProgressIndicator(String message, long id) { - jalview.io.JalviewFileChooser chooser = new jalview.io.JalviewFileChooser( - jalview.bin.Cache.getProperty("LAST_DIRECTORY")); - chooser.setFileView(new jalview.io.JalviewFileView()); - chooser.setDialogTitle(MessageManager.formatMessage( - "label.select_pdb_file_for", new String[] - { sequence.getDisplayId(false) })); - chooser.setToolTipText(MessageManager.formatMessage( - "label.load_pdb_file_associate_with_sequence", new String[] - { sequence.getDisplayId(false) })); + if (progressIndicator != null) + { + progressIndicator.setProgressBar(message, id); + } + } - int value = chooser.showOpenDialog(null); + /** + * Retrieve meta-data for all the structure(s) for a given sequence(s) in a + * selection group + */ + public void fetchStructuresMetaData() + { + long startTime = System.currentTimeMillis(); + Collection wantedFields = PDBDocFieldPreferences + .getStructureSummaryFields(); - if (value == jalview.io.JalviewFileChooser.APPROVE_OPTION) + discoveredStructuresSet = new LinkedHashSet(); + HashSet errors = new HashSet(); + for (SequenceI seq : selectedSequences) { - String choice = chooser.getSelectedFile().getPath(); - jalview.bin.Cache.setProperty("LAST_DIRECTORY", choice); - new AssociatePdbFileWithSeq().associatePdbWithSeq(choice, - jalview.io.AppletFormatAdapter.FILE, sequence, true, - Desktop.instance); + PDBRestRequest pdbRequest = new PDBRestRequest(); + pdbRequest.setAllowEmptySeq(false); + pdbRequest.setResponseSize(500); + pdbRequest.setFieldToSearchBy("(text:"); + pdbRequest.setWantedFields(wantedFields); + pdbRequest.setSearchTerm(buildQuery(seq) + ")"); + pdbRequest.setAssociatedSequence(seq); + pdbRestCleint = new PDBRestClient(); + PDBRestResponse resultList; + try + { + resultList = pdbRestCleint.executeRequest(pdbRequest); + } catch (Exception e) + { + e.printStackTrace(); + errors.add(e.getMessage()); + continue; + } + lastPdbRequest = pdbRequest; + if (resultList.getSearchSummary() != null + && !resultList.getSearchSummary().isEmpty()) + { + discoveredStructuresSet.addAll(resultList.getSearchSummary()); + updateSequencePDBEntries(seq, resultList.getSearchSummary()); + } } + int noOfStructuresFound = 0; + String totalTime = (System.currentTimeMillis() - startTime) + + " milli secs"; + if (discoveredStructuresSet != null + && !discoveredStructuresSet.isEmpty()) + { + tbl_summary.setModel(PDBRestResponse.getTableModel(lastPdbRequest, + discoveredStructuresSet)); + structuresDiscovered = true; + noOfStructuresFound = discoveredStructuresSet.size(); + mainFrame.setTitle("Structure Chooser - " + noOfStructuresFound + + " Found (" + totalTime + ")"); + } + else + { + mainFrame +.setTitle("Structure Chooser - Manual association"); + if (errors.size() > 0) + { + StringBuilder errorMsg = new StringBuilder(); + // "Operation was unsuccessful due to the following: \n"); + for (String error : errors) + { + errorMsg.append(error).append("\n"); + } + JOptionPane.showMessageDialog(this, errorMsg.toString(), + "PDB Web-service Error", JOptionPane.ERROR_MESSAGE); + } + } } - public void discoverPDB_actionPerformed() + public void loadLocalCachedPDBEntries() { - - final SequenceI[] sequences = ((ap.av.getSelectionGroup() == null) ? new SequenceI[] - { sequence } - : ap.av.getSequenceSelection()); - Thread discpdb = new Thread(new Runnable() + DefaultTableModel tableModel = new DefaultTableModel() { @Override - public void run() + public boolean isCellEditable(int row, int column) { + return false; + } + }; + tableModel.addColumn("Ref Sequence"); + tableModel.addColumn("PDB Id"); + tableModel.addColumn("Chain"); + tableModel.addColumn("Type"); + tableModel.addColumn("File"); + cachedEntryMap = new Hashtable(); + for (SequenceI seq : selectedSequences) + { + if (seq.getDatasetSequence() != null + && seq.getDatasetSequence().getPDBId() != null) + { + for (PDBEntry pdbEntry : seq.getDatasetSequence().getPDBId()) + { - new jalview.ws.DBRefFetcher(sequences, ap.alignFrame) - .fetchDBRefs(false); + String chain = pdbEntry.getChainCode() == null ? "_" : pdbEntry + .getChainCode(); + Object[] pdbEntryRowData = new Object[] + { seq, pdbEntry.getId(), + chain, + pdbEntry.getType(), + pdbEntry.getFile() }; + if (pdbEntry.getFile() != null) + { + tableModel.addRow(pdbEntryRowData); + } + cachedEntryMap.put(pdbEntry.getId().toLowerCase(), + pdbEntry); + } } + } + tbl_local_pdb.setModel(tableModel); + } - }); - discpdb.start(); + /** + * Update the PDBEntry for a given sequence with values retrieved from + * PDBResponseSummary + * + * @param seq + * the Sequence to update its DBRef entry + * @param responseSummaries + * a collection of PDBResponseSummary + */ + public void updateSequencePDBEntries(SequenceI seq, + Collection responseSummaries) + { + for (PDBResponseSummary response : responseSummaries) + { + String pdbIdStr = response.getPdbId(); + PDBEntry pdbEntry = cachedEntryMap.get(pdbIdStr.toLowerCase()); + if (pdbEntry == null) + { + pdbEntry = new PDBEntry(); + pdbEntry.setId(pdbIdStr); + pdbEntry.setType(PDBEntry.Type.PDB); + } + seq.getDatasetSequence().addPDBId(pdbEntry); + } + } + + /** + * Builds a query string for a given sequences using its DBRef entries + * + * @param seq + * the sequences to build a query for + * @return the built query string + */ + + public static String buildQuery(SequenceI seq) + { + HashSet seqRefs = new LinkedHashSet(); + String seqName = seq.getName(); + String[] names = seqName.toLowerCase().split("\\|"); + for (String name : names) + { + // System.out.println("Found name : " + name); + name.trim(); + if (isValidSeqName(name)) + { + seqRefs.add(name); + } + } + + if (seq.getPDBId() != null) + { + for (PDBEntry entry : seq.getPDBId()) + { + if (isValidSeqName(entry.getId())) + { + seqRefs.add(entry.getId()); + } + } + } + + if (seq.getDBRef() != null && seq.getDBRef().length != 0) + { + int count = 0; + for (DBRefEntry dbRef : seq.getDBRef()) + { + if (isValidSeqName(getDBRefId(dbRef))) + { + seqRefs.add(getDBRefId(dbRef)); + } + ++count; + if (count > 10) + { + break; + } + } + } + + StringBuilder queryBuilder = new StringBuilder(); + for (String seqRef : seqRefs) + { + queryBuilder.append("text:").append(seqRef).append(" OR "); + } + int endIndex = queryBuilder.lastIndexOf(" OR "); + String query = queryBuilder.toString().substring(5, endIndex); + return query; } - // rpdbview.addActionListener(new ActionListener() - // { - // - // @Override - // public void actionPerformed(ActionEvent e) - // { - // new StructureViewer(ap.getStructureSelectionManager()) - // .viewStructures(ap, pr, ap.av.collateForPDB(pr)); - // } - // }); - - public void enterPDB_actionPerformed() + /** + * Ensures sequence ref names are not less than 3 characters and does not + * contain a database name + * + * @param seqName + * @return + */ + public static boolean isValidSeqName(String seqName) { - String id = JOptionPane.showInternalInputDialog(Desktop.desktop, - MessageManager.getString("label.enter_pdb_id"), - MessageManager.getString("label.enter_pdb_id"), - JOptionPane.QUESTION_MESSAGE); - if (id != null && id.length() > 0) + // System.out.println("seqName : " + seqName); + String ignoreList = "pdb,uniprot,swiss-prot"; + if (seqName.length() < 3) + { + return false; + } + if (seqName.contains(":")) { - PDBEntry entry = new PDBEntry(); - entry.setId(id.toUpperCase()); - sequence.getDatasetSequence().addPDBId(entry); + return false; } + seqName = seqName.toLowerCase(); + for (String ignoredEntry : ignoreList.split(",")) + { + if (seqName.contains(ignoredEntry)) + { + return false; + } + } + return true; + } + + public static String getDBRefId(DBRefEntry dbRef) + { + String ref = dbRef.getAccessionId().replaceAll("GO:", ""); + return ref; } - public static void main(String[] args) + /** + * Filters a given list of discovered structures based on supplied argument + * + * @param fieldToFilterBy + * the field to filter by + */ + public void filterResultSet(final String fieldToFilterBy) { - SwingUtilities.invokeLater(new Runnable() + Thread filterThread = new Thread(new Runnable() { + @Override public void run() { - new StructureChooser(null, null); + long startTime = System.currentTimeMillis(); + lbl_loading.setVisible(true); + Collection wantedFields = PDBDocFieldPreferences + .getStructureSummaryFields(); + Collection filteredResponse = new HashSet(); + HashSet errors = new HashSet(); + for (SequenceI seq : selectedSequences) + { + PDBRestRequest pdbRequest = new PDBRestRequest(); + pdbRequest.setAllowEmptySeq(false); + pdbRequest.setResponseSize(1); + pdbRequest.setFieldToSearchBy("(text:"); + pdbRequest.setFieldToSortBy(fieldToFilterBy, + !chk_invertFilter.isSelected()); + pdbRequest.setSearchTerm(buildQuery(seq) + ")"); + pdbRequest.setWantedFields(wantedFields); + pdbRequest.setAssociatedSequence(seq); + pdbRestCleint = new PDBRestClient(); + PDBRestResponse resultList; + try + { + resultList = pdbRestCleint.executeRequest(pdbRequest); + } catch (Exception e) + { + e.printStackTrace(); + errors.add(e.getMessage()); + continue; + } + lastPdbRequest = pdbRequest; + if (resultList.getSearchSummary() != null + && !resultList.getSearchSummary().isEmpty()) + { + filteredResponse.addAll(resultList.getSearchSummary()); + } + } + + String totalTime = (System.currentTimeMillis() - startTime) + + " milli secs"; + if (!filteredResponse.isEmpty()) + { + final int filterResponseCount = filteredResponse.size(); + Collection reorderedStructuresSet = new LinkedHashSet(); + reorderedStructuresSet.addAll(filteredResponse); + reorderedStructuresSet.addAll(discoveredStructuresSet); + tbl_summary.setModel(PDBRestResponse.getTableModel( + lastPdbRequest, reorderedStructuresSet)); + + // Update table selection model here + tbl_summary.addRowSelectionInterval(0, filterResponseCount - 1); + + mainFrame.setTitle("Structure Chooser - Filter time (" + + totalTime + ")"); + } + else + { + mainFrame.setTitle("Structure Chooser - Filter time (" + + totalTime + ")"); + if (errors.size() > 0) + { + StringBuilder errorMsg = new StringBuilder(); + for (String error : errors) + { + errorMsg.append(error).append("\n"); + } + JOptionPane.showMessageDialog(null, errorMsg.toString(), + "PDB Web-service Error", JOptionPane.ERROR_MESSAGE); + } + } + + lbl_loading.setVisible(false); + + validateSelections(); } }); + filterThread.start(); + } + + + /** + * Handles action event for btn_pdbFromFile + */ + public void pdbFromFile_actionPerformed() + { + jalview.io.JalviewFileChooser chooser = new jalview.io.JalviewFileChooser( + jalview.bin.Cache.getProperty("LAST_DIRECTORY")); + chooser.setFileView(new jalview.io.JalviewFileView()); + chooser.setDialogTitle(MessageManager.formatMessage( + "label.select_pdb_file_for", new String[] + { selectedSequence.getDisplayId(false) })); + chooser.setToolTipText(MessageManager.formatMessage( + "label.load_pdb_file_associate_with_sequence", new String[] + { selectedSequence.getDisplayId(false) })); + + int value = chooser.showOpenDialog(null); + if (value == jalview.io.JalviewFileChooser.APPROVE_OPTION) + { + selectedPdbFileName = chooser.getSelectedFile().getPath(); + jalview.bin.Cache.setProperty("LAST_DIRECTORY", selectedPdbFileName); + validateSelections(); + } } - @SuppressWarnings("unchecked") - protected void populateFilterOptions() + /** + * Populates the filter combo-box options dynamically depending on discovered + * structures + */ + protected void populateFilterComboBox() { - filterOptions.addItem(new FilterOptions("- Filter Criteria -", "", - VIEWS_AUTO)); - filterOptions.addItem(new FilterOptions("All", "all", VIEWS_AUTO)); - filterOptions - .addItem(new FilterOptions("Best Coverage", "", VIEWS_AUTO)); - filterOptions.addItem(new FilterOptions("Best Resolution", "", - VIEWS_AUTO)); - filterOptions - .addItem(new FilterOptions("Best Quality", "", VIEWS_AUTO)); - filterOptions.addItem(new FilterOptions("Enter PDB Id", "", VIEWS_ID)); - filterOptions.addItem(new FilterOptions("From File", "", VIEWS_FILE)); + if (isStructuresDiscovered()) + { + cmb_filterOption.addItem(new FilterOption("Best Quality", + PDBDocField.OVERALL_QUALITY.getCode(), VIEWS_FILTER)); + cmb_filterOption.addItem(new FilterOption("Best UniProt Coverage", + PDBDocField.UNIPROT_COVERAGE.getCode(), VIEWS_FILTER)); + cmb_filterOption.addItem(new FilterOption("Highest Resolution", + PDBDocField.RESOLUTION.getCode(), VIEWS_FILTER)); + cmb_filterOption.addItem(new FilterOption("Highest Protein Chain", + PDBDocField.PROTEIN_CHAIN_COUNT.getCode(), VIEWS_FILTER)); + cmb_filterOption.addItem(new FilterOption("Highest Bound Molecules", + PDBDocField.BOUND_MOLECULE_COUNT.getCode(), VIEWS_FILTER)); + cmb_filterOption.addItem(new FilterOption("Highest Polymer Residues", + PDBDocField.POLYMER_RESIDUE_COUNT.getCode(), VIEWS_FILTER)); + } + cmb_filterOption.addItem(new FilterOption("Enter PDB Id", "-", + VIEWS_ENTER_ID)); + cmb_filterOption.addItem(new FilterOption("From File", "-", + VIEWS_FROM_FILE)); + cmb_filterOption.addItem(new FilterOption("Cached PDB Entries", "-", + VIEWS_LOCAL_PDB)); } + /** + * Updates the displayed view based on the selected filter option + */ protected void updateCurrentView() { - String currentView = ((FilterOptions) filterOptions.getSelectedItem()) - .getView(); - switchableViewsLayout.show(switchableViewsPanel, currentView); + FilterOption selectedFilterOpt = ((FilterOption) cmb_filterOption + .getSelectedItem()); + layout_switchableViews.show(pnl_switchableViews, + selectedFilterOpt.getView()); + String filterTitle = mainFrame.getTitle(); + mainFrame.setTitle(frameTitle); + chk_invertFilter.setVisible(false); + if (selectedFilterOpt.getView() == VIEWS_FILTER) + { + mainFrame.setTitle(filterTitle); + chk_invertFilter.setVisible(true); + filterResultSet(selectedFilterOpt.getValue()); + } + else if (selectedFilterOpt.getView() == VIEWS_ENTER_ID + || selectedFilterOpt.getView() == VIEWS_FROM_FILE) + { + mainFrame.setTitle(filterTitle); + idInputAssSeqPanel.loadCmbAssSeq(); + fileChooserAssSeqPanel.loadCmbAssSeq(); + } + validateSelections(); } - private void fetchStructures() + /** + * Validates user selection and activates the view button if all parameters + * are correct + */ + public void validateSelections() { - long startTime = System.currentTimeMillis(); - final SequenceI[] sequences = ((ap.av.getSelectionGroup() == null) ? new SequenceI[] - { sequence } - : ap.av.getSequenceSelection()); - int foundStructures = 0; - PDBSearchRequest request = new PDBSearchRequest(); - request.setAllowEmptySeq(false); - request.setResponseSize(500); - request.setSearchTarget("(text:"); - List wantedFields = new ArrayList(); - wantedFields.add(PDBDocField.MOLECULE_TYPE); - wantedFields.add(PDBDocField.PDB_ID); - wantedFields.add(PDBDocField.GENUS); - wantedFields.add(PDBDocField.GENE_NAME); - wantedFields.add(PDBDocField.TITLE); - request.setWantedFields(wantedFields); - - Collection searchSummaries = new HashSet(); - // searchSummaries. - for (SequenceI seq : sequences) - { - // System.out.println("Selected : " + seq.getName()); - request.setSearchTerm(buildQuery(seq) + ")"); - - PDBRestClient pdbRestCleint = new PDBRestClient(); - - PDBSearchResponse resultList = pdbRestCleint - .executeRequest(request); - if (resultList.getSearchSummary() != null - && !resultList.getSearchSummary().isEmpty()) + FilterOption selectedFilterOpt = ((FilterOption) cmb_filterOption + .getSelectedItem()); + btn_view.setEnabled(false); + String currentView = selectedFilterOpt.getView(); + if (currentView == VIEWS_FILTER) + { + if (tbl_summary.getSelectedRows().length > 0) { - searchSummaries.addAll(resultList.getSearchSummary()); + btn_view.setEnabled(true); } } + else if (currentView == VIEWS_LOCAL_PDB) + { + if (tbl_local_pdb.getSelectedRows().length > 0) + { + btn_view.setEnabled(true); + } + } + else if (currentView == VIEWS_ENTER_ID) + { + validateAssociationEnterPdb(); + } + else if (currentView == VIEWS_FROM_FILE) + { + validateAssociationFromFile(); + } + } - foundStructures = searchSummaries.size(); - if (searchSummaries != null) + /** + * Validates inputs from the Manual PDB entry panel + */ + public void validateAssociationEnterPdb() + { + AssociateSeqOptions assSeqOpt = (AssociateSeqOptions) idInputAssSeqPanel + .getCmb_assSeq().getSelectedItem(); + lbl_pdbManualFetchStatus.setIcon(errorImage); + lbl_pdbManualFetchStatus.setToolTipText(""); + if (txt_search.getText().length() > 0) { - jListFoundStructures.setModel(PDBSearchResponse - .getListModel(searchSummaries)); + lbl_pdbManualFetchStatus.setToolTipText(JvSwingUtils.wrapTooltip( + true, "No PDB entry found for \'" + txt_search.getText() + + "\'")); } - String totalTime = (System.currentTimeMillis() - startTime) - + " milli secs"; - mainFrame.setTitle("Structure Chooser - " + foundStructures - + " Found (" + totalTime + ")"); + if (errorWarning.length() > 0) + { + lbl_pdbManualFetchStatus.setIcon(warningImage); + lbl_pdbManualFetchStatus.setToolTipText(JvSwingUtils.wrapTooltip( + true, errorWarning.toString())); + } + + if (selectedSequences.length == 1 + || !assSeqOpt.getName().equalsIgnoreCase( + "-Select Associated Seq-")) + { + txt_search.setEnabled(true); + if (isValidPBDEntry) + { + btn_view.setEnabled(true); + lbl_pdbManualFetchStatus.setToolTipText(""); + lbl_pdbManualFetchStatus.setIcon(goodImage); + } + } + else + { + txt_search.setEnabled(false); + lbl_pdbManualFetchStatus.setIcon(errorImage); + } } - private String buildQuery(SequenceI seq) + /** + * Validates inputs for the manual PDB file selection options + */ + public void validateAssociationFromFile() { - String query = seq.getName(); - StringBuilder queryBuilder = new StringBuilder(); - int count = 0; - if (seq.getDBRef() != null && seq.getDBRef().length != 0) + AssociateSeqOptions assSeqOpt = (AssociateSeqOptions) fileChooserAssSeqPanel + .getCmb_assSeq().getSelectedItem(); + lbl_fromFileStatus.setIcon(errorImage); + if (selectedSequences.length == 1 + || (assSeqOpt != null + && !assSeqOpt.getName().equalsIgnoreCase( + "-Select Associated Seq-"))) { - for (DBRefEntry dbRef : seq.getDBRef()) + btn_pdbFromFile.setEnabled(true); + if (selectedPdbFileName != null && selectedPdbFileName.length() > 0) { - System.out.println("dbref : " + dbRef.getAccessionId()); - queryBuilder.append("text:").append(dbRef.getAccessionId()) - .append(" OR "); - ++count; - if (count > 10) - { - break; - } + btn_view.setEnabled(true); + lbl_fromFileStatus.setIcon(goodImage); } - // int beginIndex = queryBuilder. firstIndexOf("text"); - int endIndex = queryBuilder.lastIndexOf(" OR "); - query = queryBuilder.toString().substring(5, endIndex); } - System.out.println("------------> " + query); - return query; + else + { + btn_pdbFromFile.setEnabled(false); + lbl_fromFileStatus.setIcon(errorImage); + } } - public class FilterOptions + @Override + public void cmbAssSeqStateChanged() { - private String name; + validateSelections(); + } - private String value; + /** + * Handles the state change event for the 'filter' combo-box and 'invert' + * check-box + */ + @Override + protected void stateChanged(ItemEvent e) + { + if (e.getSource() instanceof JCheckBox) + { + updateCurrentView(); + } + else + { + if (e.getStateChange() == ItemEvent.SELECTED) + { + updateCurrentView(); + } + } - private String view; + } - public FilterOptions(String name, String value, String view) + /** + * Handles action event for btn_ok + */ + @Override + public void ok_ActionPerformed() + { + FilterOption selectedFilterOpt = ((FilterOption) cmb_filterOption + .getSelectedItem()); + String currentView = selectedFilterOpt.getView(); + if (currentView == VIEWS_FILTER) { - this.name = name; - this.value = value; - this.view = view; + int pdbIdColIndex = tbl_summary.getColumn( + PDBRestClient.PDBDocField.PDB_ID.getName()).getModelIndex(); + int refSeqColIndex = tbl_summary.getColumn("Ref Sequence") + .getModelIndex(); + int[] selectedRows = tbl_summary.getSelectedRows(); + PDBEntry[] pdbEntriesToView = new PDBEntry[selectedRows.length]; + int count = 0; + ArrayList selectedSeqsToView = new ArrayList(); + for (int summaryRow : selectedRows) + { + String pdbIdStr = tbl_summary.getValueAt(summaryRow, pdbIdColIndex) + .toString(); + SequenceI selectedSeq = (SequenceI) tbl_summary.getValueAt( + summaryRow, refSeqColIndex); + selectedSeqsToView.add(selectedSeq); + PDBEntry pdbEntry = cachedEntryMap.get(pdbIdStr.toLowerCase()); + if (pdbEntry == null) + { + pdbEntry = new PDBEntry(); + pdbEntry.setId(pdbIdStr); + pdbEntry.setType(PDBEntry.Type.PDB); + } + pdbEntriesToView[count++] = pdbEntry; + } + SequenceI[] selectedSeqs = selectedSeqsToView + .toArray(new SequenceI[selectedSeqsToView.size()]); + launchStructureViewer(ap.getStructureSelectionManager(), + pdbEntriesToView, ap, selectedSeqs); } + else if(currentView == VIEWS_LOCAL_PDB){ + int[] selectedRows = tbl_local_pdb.getSelectedRows(); + PDBEntry[] pdbEntriesToView = new PDBEntry[selectedRows.length]; + int count = 0; + int pdbIdColIndex = tbl_local_pdb.getColumn( + PDBRestClient.PDBDocField.PDB_ID.getName()).getModelIndex(); + int refSeqColIndex = tbl_local_pdb.getColumn("Ref Sequence") + .getModelIndex(); + ArrayList selectedSeqsToView = new ArrayList(); + for (int row : selectedRows) + { + String entryKey = tbl_local_pdb.getValueAt(row, pdbIdColIndex) + .toString() + .toLowerCase(); + pdbEntriesToView[count++] = cachedEntryMap.get(entryKey); + SequenceI selectedSeq = (SequenceI) tbl_local_pdb.getValueAt(row, + refSeqColIndex); + selectedSeqsToView.add(selectedSeq); - public String getName() - { - return name; + } + SequenceI[] selectedSeqs = selectedSeqsToView + .toArray(new SequenceI[selectedSeqsToView.size()]); + launchStructureViewer(ap.getStructureSelectionManager(), + pdbEntriesToView, ap, selectedSeqs); } + else if (currentView == VIEWS_ENTER_ID) + { + SequenceI userSelectedSeq = ((AssociateSeqOptions) idInputAssSeqPanel + .getCmb_assSeq().getSelectedItem()).getSequence(); + if (userSelectedSeq != null) + { + selectedSequence = userSelectedSeq; + } + + String pdbIdStr = txt_search.getText(); + PDBEntry pdbEntry = cachedEntryMap.get(pdbIdStr.toLowerCase()); + if (pdbEntry == null) + { + pdbEntry = new PDBEntry(); + pdbEntry.setId(txt_search.getText()); + pdbEntry.setType(PDBEntry.Type.PDB); + } - public void setName(String name) + selectedSequence.getDatasetSequence().addPDBId(pdbEntry); + PDBEntry[] pdbEntriesToView = new PDBEntry[] + { pdbEntry }; + launchStructureViewer(ap.getStructureSelectionManager(), + pdbEntriesToView, ap, new SequenceI[] + { selectedSequence }); + } + else if (currentView == VIEWS_FROM_FILE) { - this.name = name; + SequenceI userSelectedSeq = ((AssociateSeqOptions) fileChooserAssSeqPanel + .getCmb_assSeq().getSelectedItem()).getSequence(); + if (userSelectedSeq != null) + { + selectedSequence = userSelectedSeq; + } + PDBEntry fileEntry = new AssociatePdbFileWithSeq() + .associatePdbWithSeq( + selectedPdbFileName, jalview.io.AppletFormatAdapter.FILE, + selectedSequence, true, Desktop.instance); + + launchStructureViewer(ap.getStructureSelectionManager(), + new PDBEntry[] + { fileEntry }, ap, new SequenceI[] + { selectedSequence }); } + mainFrame.dispose(); + } - public String getValue() + private void launchStructureViewer(StructureSelectionManager ssm, + PDBEntry[] pdbEntriesToView, AlignmentPanel alignPanel, + SequenceI[] sequences) + { + StructureViewer sViewer = new StructureViewer(ssm); + if (pdbEntriesToView.length > 1) { - return value; + ArrayList seqsMap = new ArrayList(); + for (SequenceI seq : sequences) + { + seqsMap.add(new SequenceI[] + { seq }); + } + SequenceI[][] collatedSeqs = seqsMap.toArray(new SequenceI[0][0]); + sViewer.viewStructures(pdbEntriesToView, collatedSeqs, + alignPanel); + // sViewer.viewStructures(pdbEntriesToView, + // alignPanel.av.collateForPDB(pdbEntriesToView), + // alignPanel); } - - public void setValue(String value) + else { - this.value = value; + sViewer.viewStructures(pdbEntriesToView[0], sequences, + alignPanel); } + } - public String getView() + /** + * Populates the combo-box used in associating manually fetched structures to + * a unique sequence when more than one sequence selection is made. + */ + public void populateCmbAssociateSeqOptions( + JComboBox cmb_assSeq, JLabel lbl_associateSeq) + { + cmb_assSeq.removeAllItems(); + cmb_assSeq.addItem(new AssociateSeqOptions("-Select Associated Seq-", + null)); + // cmb_assSeq.addItem(new AssociateSeqOptions("Auto Detect", null)); + lbl_associateSeq.setVisible(false); + if (selectedSequences.length > 1) { - return view; + for (SequenceI seq : selectedSequences) + { + cmb_assSeq.addItem(new AssociateSeqOptions(seq)); + } + } + else + { + String seqName = selectedSequence.getDisplayId(false); + seqName = seqName.length() <= 40 ? seqName : seqName.substring(0, 39); + lbl_associateSeq.setText(seqName); + lbl_associateSeq.setVisible(true); + cmb_assSeq.setVisible(false); } + } + + public boolean isStructuresDiscovered() + { + return structuresDiscovered; + } - public void setView(String view) + public void setStructuresDiscovered(boolean structuresDiscovered) + { + this.structuresDiscovered = structuresDiscovered; + } + + public Collection getDiscoveredStructuresSet() + { + return discoveredStructuresSet; + } + + @Override + protected void txt_search_ActionPerformed() + { + errorWarning.setLength(0); + isValidPBDEntry = false; + if (txt_search.getText().length() > 0) { - this.view = view; + List wantedFields = new ArrayList(); + wantedFields.add(PDBDocField.PDB_ID); + PDBRestRequest pdbRequest = new PDBRestRequest(); + pdbRequest.setAllowEmptySeq(false); + pdbRequest.setResponseSize(1); + pdbRequest.setFieldToSearchBy("(pdb_id:"); + pdbRequest.setWantedFields(wantedFields); + pdbRequest.setSearchTerm(txt_search.getText() + ")"); + pdbRequest.setAssociatedSequence(selectedSequence); + pdbRestCleint = new PDBRestClient(); + PDBRestResponse resultList; + try + { + resultList = pdbRestCleint.executeRequest(pdbRequest); + } catch (Exception e) + { + errorWarning.append(e.getMessage()); + return; + } finally + { + validateSelections(); + } + if (resultList.getSearchSummary() != null + && resultList.getSearchSummary().size() > 0) + { + isValidPBDEntry = true; + } } + validateSelections(); + } - public String toString() + @Override + public void tabRefresh() + { + if (selectedSequences != null) { - return this.name; + Thread refreshThread = new Thread(new Runnable() + { + @Override + public void run() + { + fetchStructuresMetaData(); + filterResultSet(((FilterOption) cmb_filterOption + .getSelectedItem()).getValue()); + } + }); + refreshThread.start(); } } + }