X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fgui%2FStructureChooser.java;h=5c86ce26e6fcaded633fe0b8d24aebfc1be452a5;hb=bc98852ff1a926cf7b11a92db96ff8fe308ceae0;hp=11fb9433703b4444d0fdf962924a7344d9cf3796;hpb=e4a49e444d89dc2d8d35913813bddc3a0dabcad6;p=jalview.git diff --git a/src/jalview/gui/StructureChooser.java b/src/jalview/gui/StructureChooser.java index 11fb943..5c86ce2 100644 --- a/src/jalview/gui/StructureChooser.java +++ b/src/jalview/gui/StructureChooser.java @@ -1,142 +1,255 @@ +/* + + * 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.dbsources.PDBRestClient.PDBDocField; -import jalview.ws.uimodel.PDBSearchRequest; -import jalview.ws.uimodel.PDBSearchResponse; -import jalview.ws.uimodel.PDBSearchResponse.PDBResponseSummary; +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.JOptionPane; +import javax.swing.JCheckBox; +import javax.swing.JComboBox; +import javax.swing.JLabel; +import javax.swing.table.DefaultTableModel; + +/** + * Provides the behaviors for the Structure chooser Panel + * + * @author tcnofoegbu + * + */ @SuppressWarnings("serial") public class StructureChooser extends GStructureChooser { - - private boolean structuresWereFound = false; + private boolean structuresDiscovered = false; private SequenceI selectedSequence; private SequenceI[] selectedSequences; - public StructureChooser(AlignmentPanel ap, final SequenceI sequence) + private IProgressIndicator progressIndicator; + + private Collection discoveredStructuresSet; + + private PDBRestRequest lastPdbRequest; + + private PDBRestClient pdbRestCleint; + + private String selectedPdbFileName; + + private boolean isValidPBDEntry; + + private static Hashtable cachedEntryMap; + + public StructureChooser(SequenceI[] selectedSeqs, SequenceI selectedSeq, + AlignmentPanel ap) { this.ap = ap; - this.selectedSequence = sequence; - selectedSequences = ((ap.av.getSelectionGroup() == null) ? new SequenceI[] - { sequence } : ap.av.getSequenceSelection()); - fetchStructures(); - populateFilterOptions(); - updateCurrentView(); + 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() { - // TODO code to load selected structures to jmol or chimera + Thread discoverPDBStructuresThread = new Thread(new Runnable() + { + @Override + public void run() + { + long startTime = System.currentTimeMillis(); + String msg = MessageManager.getString("status.fetching_db_refs"); + updateProgressIndicator(msg, startTime); + loadLocalCachedPDBEntries(); + fetchStructuresMetaData(); + populateFilterComboBox(); + updateProgressIndicator(null, startTime); + mainFrame.setVisible(true); + updateCurrentView(); + } + }); + discoverPDBStructuresThread.start(); } - protected void populateFilterOptions() + /** + * 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) { - if (structuresWereFound) - { - filterOptionsComboBox.addItem(new FilterOptions( - "- Filter Criteria -", "", - VIEWS_FILTER)); - filterOptionsComboBox.addItem(new FilterOptions("All", "all", - VIEWS_FILTER)); - filterOptionsComboBox.addItem(new FilterOptions("Best Coverage", - "coverage", - VIEWS_FILTER)); - filterOptionsComboBox.addItem(new FilterOptions("Best Resolution", - PDBDocField.RESOLUTION.getCode(), - VIEWS_FILTER)); - filterOptionsComboBox.addItem(new FilterOptions("Best Quality", - PDBDocField.OVERALL_QUALITY.getCode(), - VIEWS_FILTER)); - - // "number_of_polymers"), PROTEIN_CHAIN_COUNT( - // "Protein Chain Count", "number_of_protein_chains"), - // BOUND_MOLECULE_COUNT( - // "Bound Molecule Count", "number_of_bound_molecules"), - // POLYMER_RESIDUE_COUNT( - // "Polymer Residue Count", "number_of_polymer_residues"), - // UNIPROT_COVERAGE( + if (progressIndicator != null) + { + progressIndicator.setProgressBar(message, id); } - filterOptionsComboBox.addItem(new FilterOptions("Enter PDB Id", "-", - VIEWS_ENTER_ID)); - filterOptionsComboBox.addItem(new FilterOptions("From File", "-", - VIEWS_FROM_FILE)); } - private void fetchStructures() + /** + * Retrieve meta-data for all the structure(s) for a given sequence(s) in a + * selection group + */ + public void fetchStructuresMetaData() { long startTime = System.currentTimeMillis(); - // final SequenceI[] sequences = ((ap.av.getSelectionGroup() == null) ? new - // SequenceI[] - // { sequence } - // : ap.av.getSequenceSelection()); - - int foundStructures = 0; - 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); - - PDBSearchRequest request = new PDBSearchRequest(); - request.setAllowEmptySeq(false); - request.setResponseSize(500); - request.setSearchTarget("(text:"); - request.setWantedFields(wantedFields); - - Collection searchSummaries = new HashSet(); + Collection wantedFields = PDBDocFieldPreferences + .getStructureSummaryFields(); + + discoveredStructuresSet = new LinkedHashSet(); for (SequenceI seq : selectedSequences) { - request.setSearchTerm(buildQuery(seq) + ")"); - PDBRestClient pdbRestCleint = new PDBRestClient(); - PDBSearchResponse resultList = pdbRestCleint - .executeRequest(request); + PDBRestRequest pdbRequest = new PDBRestRequest(); + pdbRequest.setAllowEmptySeq(false); + pdbRequest.setResponseSize(500); + pdbRequest.setFieldToSearchBy("(text:"); + pdbRequest.setWantedFields(wantedFields); + pdbRequest.setSearchTerm(buildQuery(seq) + ")"); + pdbRequest.setAssociatedSequence(seq.getName()); + pdbRestCleint = new PDBRestClient(); + PDBRestResponse resultList = pdbRestCleint.executeRequest(pdbRequest); + lastPdbRequest = pdbRequest; if (resultList.getSearchSummary() != null && !resultList.getSearchSummary().isEmpty()) { - searchSummaries.addAll(resultList.getSearchSummary()); + discoveredStructuresSet.addAll(resultList.getSearchSummary()); + updateSequenceDbRef(seq, resultList.getSearchSummary()); } } - foundStructures = searchSummaries.size(); - if (searchSummaries != null) + int noOfStructuresFound = 0; + if (discoveredStructuresSet != null + && !discoveredStructuresSet.isEmpty()) { - jListFoundStructures.setModel(PDBSearchResponse - .getListModel(searchSummaries)); - structuresWereFound = true; + tbl_summary.setModel(PDBRestResponse.getTableModel(lastPdbRequest, + discoveredStructuresSet)); + structuresDiscovered = true; + noOfStructuresFound = discoveredStructuresSet.size(); } String totalTime = (System.currentTimeMillis() - startTime) + " milli secs"; - mainFrame.setTitle("Structure Chooser - " + foundStructures + mainFrame.setTitle("Structure Chooser - " + noOfStructuresFound + " Found (" + totalTime + ")"); } - private String buildQuery(SequenceI seq) + public void loadLocalCachedPDBEntries() + { + DefaultTableModel tableModel = new DefaultTableModel(); + tableModel.addColumn("Sequence"); + tableModel.addColumn("PDB Id"); + 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()) + { + String[] pdbEntryRowData = new String[] + { seq.getDisplayId(false), pdbEntry.getId(), pdbEntry.getType(), + pdbEntry.getFile() }; + tableModel.addRow(pdbEntryRowData); + cachedEntryMap.put(seq.getDisplayId(false) + pdbEntry.getId(), + pdbEntry); + } + } + } + tbl_local_pdb.setModel(tableModel); + } + + /** + * Update the DBRef entry 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 updateSequenceDbRef(SequenceI seq, + Collection responseSummaries) + { + for (PDBResponseSummary response : responseSummaries) + { + PDBEntry newEntry = new PDBEntry(); + newEntry.setId(response.getPdbId()); + newEntry.setType("PDB"); + seq.getDatasetSequence().addPDBId(newEntry); + } + } + + /** + * 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) { String query = seq.getName(); StringBuilder queryBuilder = new StringBuilder(); int count = 0; + + if (seq.getPDBId() != null) + { + for (PDBEntry entry : seq.getPDBId()) + { + queryBuilder.append("text:").append(entry.getId()).append(" OR "); + } + } + if (seq.getDBRef() != null && seq.getDBRef().length != 0) { for (DBRefEntry dbRef : seq.getDBRef()) { - queryBuilder.append("text:").append(dbRef.getAccessionId()) + queryBuilder.append("text:") + .append(dbRef.getAccessionId().replaceAll("GO:", "")) .append(" OR "); ++count; if (count > 10) @@ -150,129 +263,458 @@ public class StructureChooser extends GStructureChooser return query; } - @Override - protected void stateChanged() + /** + * Filters a given list of discovered structures based on supplied argument + * + * @param fieldToFilterBy + * the field to filter by + */ + public void filterResultSet(final String fieldToFilterBy) + { + Thread filterThread = new Thread(new Runnable() + { + @Override + public void run() + { + long startTime = System.currentTimeMillis(); + try + { + lbl_loading.setVisible(true); + + Collection wantedFields = PDBDocFieldPreferences + .getStructureSummaryFields(); + Collection filteredResponse = 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.getName()); + pdbRestCleint = new PDBRestClient(); + PDBRestResponse resultList = pdbRestCleint + .executeRequest(pdbRequest); + lastPdbRequest = pdbRequest; + if (resultList.getSearchSummary() != null + && !resultList.getSearchSummary().isEmpty()) + { + filteredResponse.addAll(resultList.getSearchSummary()); + } + } + + 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); + + } + + lbl_loading.setVisible(false); + String totalTime = (System.currentTimeMillis() - startTime) + + " milli secs"; + mainFrame.setTitle("Structure Chooser - Filter time (" + + totalTime + ")"); + + validateSelections(); + } catch (Exception e) + { + e.printStackTrace(); + } + } + }); + filterThread.start(); + } + + + /** + * Handles action event for btn_pdbFromFile + */ + public void pdbFromFile_actionPerformed() { - updateCurrentView(); + 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(); + } } - int debounceCount = 0; + /** + * Populates the filter combo-box options dynamically depending on discovered + * structures + */ + protected void populateFilterComboBox() + { + 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() { - FilterOptions currentOption = ((FilterOptions) filterOptionsComboBox + 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) + { + idInputAssSeqPanel.loadCmbAssSeq(); + fileChooserAssSeqPanel.loadCmbAssSeq(); + } + validateSelections(); + } + + /** + * Validates user selection and activates the view button if all parameters + * are correct + */ + public void validateSelections() + { + FilterOption selectedFilterOpt = ((FilterOption) cmb_filterOption .getSelectedItem()); - switchableViewsLayout.show(switchableViewsPanel, - currentOption.getView()); - ++debounceCount; - if (currentOption.getView() == VIEWS_FILTER && debounceCount % 2 == 0) + btn_view.setEnabled(false); + String currentView = selectedFilterOpt.getView(); + if (currentView == VIEWS_FILTER) + { + if (tbl_summary.getSelectedRows().length > 0) + { + 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) { - filterResultSet(currentOption.getValue()); + validateAssociationEnterPdb(); + } + else if (currentView == VIEWS_FROM_FILE) + { + validateAssociationFromFile(); } } - public void filterResultSet(String filterTarget) + /** + * Validates inputs from the Manual PDB entry panel + */ + public void validateAssociationEnterPdb() { - System.out.println("-----------------> Filter by : " + filterTarget); + AssociateSeqOptions assSeqOpt = (AssociateSeqOptions) idInputAssSeqPanel + .getCmb_assSeq().getSelectedItem(); + lbl_pdbManualFetchStatus.setIcon(errorImage); + if (selectedSequences.length == 1 + || !assSeqOpt.getName().equalsIgnoreCase( + "-Select Associated Seq-")) + { + txt_search.setEnabled(true); + if (isValidPBDEntry) + { + btn_view.setEnabled(true); + lbl_pdbManualFetchStatus.setIcon(goodImage); + } + } + else + { + txt_search.setEnabled(false); + lbl_pdbManualFetchStatus.setIcon(errorImage); + } + } - 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); + /** + * Validates inputs for the manual PDB file selection options + */ + public void validateAssociationFromFile() + { + AssociateSeqOptions assSeqOpt = (AssociateSeqOptions) fileChooserAssSeqPanel + .getCmb_assSeq().getSelectedItem(); + lbl_fromFileStatus.setIcon(errorImage); + if (selectedSequences.length == 1 + || (assSeqOpt != null + && !assSeqOpt.getName().equalsIgnoreCase( + "-Select Associated Seq-"))) + { + btn_pdbFromFile.setEnabled(true); + if (selectedPdbFileName != null && selectedPdbFileName.length() > 0) + { + btn_view.setEnabled(true); + lbl_fromFileStatus.setIcon(goodImage); + } + } + else + { + btn_pdbFromFile.setEnabled(false); + lbl_fromFileStatus.setIcon(errorImage); + } + } - PDBSearchRequest request = new PDBSearchRequest(); - request.setAllowEmptySeq(false); - request.setResponseSize(1); - request.setSearchTarget("(text:"); - request.setSortTarget(filterTarget, true); + @Override + public void cmbAssSeqStateChanged() + { + validateSelections(); + } - request.setWantedFields(wantedFields); + /** + * 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(); + } + } - Collection searchSummaries = new HashSet(); - for (SequenceI seq : selectedSequences) + } + + /** + * 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) { - request.setSearchTerm(buildQuery(seq) + ")"); - PDBRestClient pdbRestCleint = new PDBRestClient(); - PDBSearchResponse resultList = pdbRestCleint.executeRequest(request); - if (resultList.getSearchSummary() != null - && !resultList.getSearchSummary().isEmpty()) + int pdbIdCol = PDBRestClient.getPDBIdColumIndex( + lastPdbRequest.getWantedFields(), true); + int[] selectedRows = tbl_summary.getSelectedRows(); + PDBEntry[] pdbEntriesToView = new PDBEntry[selectedRows.length]; + int count = 0; + for (int summaryRow : selectedRows) { - searchSummaries.addAll(resultList.getSearchSummary()); + String pdbIdStr = tbl_summary.getValueAt(summaryRow, pdbIdCol) + .toString(); + PDBEntry pdbEntry = new PDBEntry(); + pdbEntry.setId(pdbIdStr); + pdbEntry.setType("PDB"); + pdbEntriesToView[count++] = pdbEntry; + } + launchStructureViewer(ap.getStructureSelectionManager(), + pdbEntriesToView, ap, selectedSequences); + } + else if(currentView == VIEWS_LOCAL_PDB){ + int[] selectedRows = tbl_local_pdb.getSelectedRows(); + PDBEntry[] pdbEntriesToView = new PDBEntry[selectedRows.length]; + int count = 0; + for (int row : selectedRows) + { + String entryKey = tbl_local_pdb.getValueAt(row, 0).toString() + tbl_local_pdb.getValueAt(row, 1).toString(); + pdbEntriesToView[count++] = cachedEntryMap.get(entryKey); } + launchStructureViewer(ap.getStructureSelectionManager(), + pdbEntriesToView, ap, selectedSequences); } - - for (PDBResponseSummary summary : searchSummaries) + else if (currentView == VIEWS_ENTER_ID) + { + SequenceI userSelectedSeq = ((AssociateSeqOptions) idInputAssSeqPanel + .getCmb_assSeq().getSelectedItem()).getSequence(); + if (userSelectedSeq != null) + { + selectedSequence = userSelectedSeq; + } + PDBEntry pdbEntry = new PDBEntry(); + pdbEntry.setId(txt_search.getText()); + pdbEntry.setType("PDB"); + selectedSequence.getDatasetSequence().addPDBId(pdbEntry); + PDBEntry[] pdbEntriesToView = new PDBEntry[] + { pdbEntry }; + launchStructureViewer(ap.getStructureSelectionManager(), + pdbEntriesToView, ap, new SequenceI[] + { selectedSequence }); + } + else if (currentView == VIEWS_FROM_FILE) { - jListFoundStructures.setSelectedValue(summary, true); - // jListFoundStructures. - break; + 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 }); } - System.out.println("Found item count : " + searchSummaries.size()); + mainFrame.dispose(); } - public void pdbFromFile_actionPerformed() + private void launchStructureViewer(StructureSelectionManager ssm, + PDBEntry[] pdbEntriesToView, AlignmentPanel alignPanel, + SequenceI[] selectedSequences) { - 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); + StructureViewer sViewer = new StructureViewer(ssm); + if (pdbEntriesToView.length > 1) + { + sViewer.viewStructures(alignPanel, pdbEntriesToView, + alignPanel.av.collateForPDB(pdbEntriesToView)); + } + else + { + sViewer.viewStructures(pdbEntriesToView[0], selectedSequences, null, + alignPanel); + } + } - if (value == jalview.io.JalviewFileChooser.APPROVE_OPTION) + /** + * 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) { - String choice = chooser.getSelectedFile().getPath(); - jalview.bin.Cache.setProperty("LAST_DIRECTORY", choice); - new AssociatePdbFileWithSeq().associatePdbWithSeq(choice, - jalview.io.AppletFormatAdapter.FILE, selectedSequence, true, - Desktop.instance); + 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 setStructuresDiscovered(boolean structuresDiscovered) + { + this.structuresDiscovered = structuresDiscovered; + } - // rpdbview.addActionListener(new ActionListener() - // { - // - // @Override - // public void actionPerformed(ActionEvent e) - // { - // new StructureViewer(ap.getStructureSelectionManager()) - // .viewStructures(ap, pr, ap.av.collateForPDB(pr)); - // } - // }); + public Collection getDiscoveredStructuresSet() + { + return discoveredStructuresSet; + } - public void enterPDB_actionPerformed() + @Override + protected void txt_search_ActionPerformed() { - 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) - { - PDBEntry entry = new PDBEntry(); - entry.setId(id.toUpperCase()); - selectedSequence.getDatasetSequence().addPDBId(entry); + isValidPBDEntry = false; + if (txt_search.getText().length() > 0) + { + 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.getName()); + pdbRestCleint = new PDBRestClient(); + PDBRestResponse resultList = pdbRestCleint.executeRequest(pdbRequest); + if (resultList.getSearchSummary() != null + && resultList.getSearchSummary().size() > 0) + { + isValidPBDEntry = true; + } } + validateSelections(); } - // public static void main(String[] args) - // { - // SwingUtilities.invokeLater(new Runnable() - // { - // public void run() - // { - // new StructureChooser(null, null); - // } - // }); - // } - + @Override + public void tabRefresh() + { + if (selectedSequences != null) + { + Thread refreshThread = new Thread(new Runnable() + { + @Override + public void run() + { + fetchStructuresMetaData(); + filterResultSet(((FilterOption) cmb_filterOption + .getSelectedItem()).getValue()); + } + }); + refreshThread.start(); + } + } }