X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fgui%2FStructureChooser.java;h=266690eecee2ef9d49e5d5f92e3fc8d2fa0e40f4;hb=06e3a52df5af8243cdb67c023c8ddd834711ad36;hp=f28ef68fbe84a9edf53015b80d0d4da36c4a6061;hpb=fd235cc7542d6e308e054a8a76580a6c511ae631;p=jalview.git diff --git a/src/jalview/gui/StructureChooser.java b/src/jalview/gui/StructureChooser.java index f28ef68..266690e 100644 --- a/src/jalview/gui/StructureChooser.java +++ b/src/jalview/gui/StructureChooser.java @@ -1,4 +1,5 @@ /* + * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.2) * Copyright (C) 2014 The Jalview Authors * @@ -26,6 +27,7 @@ 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; @@ -37,12 +39,14 @@ import java.awt.event.ItemEvent; import java.util.ArrayList; import java.util.Collection; import java.util.HashSet; +import java.util.LinkedHashSet; import java.util.List; -import java.util.Vector; import javax.swing.JCheckBox; import javax.swing.JComboBox; -import javax.swing.ListSelectionModel; +import javax.swing.JLabel; +import javax.swing.JOptionPane; +import javax.swing.table.AbstractTableModel; /** * Provides the behaviors for the Structure chooser Panel @@ -61,9 +65,9 @@ public class StructureChooser extends GStructureChooser private IProgressIndicator progressIndicator; - private Collection discoveredStructuresSet = new HashSet(); + private Collection discoveredStructuresSet; - private PDBRestRequest pdbRequest; + private PDBRestRequest lastPdbRequest; private PDBRestClient pdbRestCleint; @@ -71,6 +75,7 @@ public class StructureChooser extends GStructureChooser private boolean isValidPBDEntry; + public StructureChooser(SequenceI[] selectedSeqs, SequenceI selectedSeq, AlignmentPanel ap) { @@ -92,8 +97,13 @@ public class StructureChooser extends GStructureChooser public void run() { long startTime = System.currentTimeMillis(); - String msg = MessageManager.getString("status.fetching_db_refs"); - updateProgressIndicator(msg, startTime); + 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); @@ -130,61 +140,88 @@ public class StructureChooser extends GStructureChooser Collection wantedFields = PDBDocFieldPreferences .getStructureSummaryFields(); - pdbRequest = new PDBRestRequest(); - pdbRequest.setAllowEmptySeq(false); - pdbRequest.setResponseSize(500); - pdbRequest.setFieldToSearchBy("(text:"); - pdbRequest.setWantedFields(wantedFields); + discoveredStructuresSet = new LinkedHashSet(); + HashSet errors = new HashSet(); for (SequenceI seq : selectedSequences) { + PDBRestRequest pdbRequest = new PDBRestRequest(); + pdbRequest.setAllowEmptySeq(false); + pdbRequest.setResponseSize(500); + pdbRequest.setFieldToSearchBy("(text:"); + pdbRequest.setWantedFields(wantedFields); pdbRequest.setSearchTerm(buildQuery(seq) + ")"); - pdbRequest.setAssociatedSequence(seq.getName()); + pdbRequest.setAssociatedSequence(seq); pdbRestCleint = new PDBRestClient(); - PDBRestResponse resultList = pdbRestCleint.executeRequest(pdbRequest); + 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()); - updateSequenceDbRef(seq, resultList.getSearchSummary()); } } int noOfStructuresFound = 0; + String totalTime = (System.currentTimeMillis() - startTime) + + " milli secs"; if (discoveredStructuresSet != null && !discoveredStructuresSet.isEmpty()) { - tbl_summary.setModel(PDBRestResponse.getTableModel(pdbRequest, + 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(); + for (String error : errors) + { + errorMsg.append(error).append("\n"); + } + JOptionPane.showMessageDialog(this, errorMsg.toString(), + "PDB Web-service Error", JOptionPane.ERROR_MESSAGE); + } } - String totalTime = (System.currentTimeMillis() - startTime) - + " milli secs"; - mainFrame.setTitle("Structure Chooser - " + noOfStructuresFound - + " Found (" + totalTime + ")"); } - /** - * 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) + public void loadLocalCachedPDBEntries() { - for (PDBResponseSummary response : responseSummaries) + ArrayList entries = new ArrayList(); + for (SequenceI seq : selectedSequences) { - PDBEntry newEntry = new PDBEntry(); - newEntry.setId(response.getPdbId()); - newEntry.setType("PDB"); - seq.getDatasetSequence().addPDBId(newEntry); + if (seq.getDatasetSequence() != null + && seq.getDatasetSequence().getAllPDBEntries() != null) + { + for (PDBEntry pdbEntry : seq.getDatasetSequence().getAllPDBEntries()) + { + if (pdbEntry.getFile() != null) + { + entries.add(new CachedPDB(seq, pdbEntry)); + } + } + } } + + PDBEntryTableModel tableModelx = new PDBEntryTableModel(entries); + tbl_local_pdb.setModel(tableModelx); } + /** * Builds a query string for a given sequences using its DBRef entries * @@ -192,41 +229,97 @@ public class StructureChooser extends GStructureChooser * the sequences to build a query for * @return the built query string */ - @SuppressWarnings("unchecked") + public static String buildQuery(SequenceI seq) { - String query = seq.getName(); - StringBuilder queryBuilder = new StringBuilder(); - int count = 0; + 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) + if (seq.getAllPDBEntries() != null) { - for (PDBEntry entry : (Vector) seq.getPDBId()) + for (PDBEntry entry : seq.getAllPDBEntries()) { - queryBuilder.append("text:").append(entry.getId()).append(" OR "); + if (isValidSeqName(entry.getId())) + { + seqRefs.add(entry.getId()); + } } } if (seq.getDBRef() != null && seq.getDBRef().length != 0) { + int count = 0; for (DBRefEntry dbRef : seq.getDBRef()) { - queryBuilder.append("text:") - .append(dbRef.getAccessionId().replaceAll("GO:", "")) - .append(" OR "); + if (isValidSeqName(getDBRefId(dbRef))) + { + seqRefs.add(getDBRefId(dbRef)); + } ++count; if (count > 10) { break; } } - int endIndex = queryBuilder.lastIndexOf(" OR "); - query = queryBuilder.toString().substring(5, endIndex); } + + 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; } /** + * 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) + { + // System.out.println("seqName : " + seqName); + String ignoreList = "pdb,uniprot,swiss-prot"; + if (seqName.length() < 3) + { + return false; + } + if (seqName.contains(":")) + { + 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; + } + + /** * Filters a given list of discovered structures based on supplied argument * * @param fieldToFilterBy @@ -240,64 +333,75 @@ public class StructureChooser extends GStructureChooser public void run() { long startTime = System.currentTimeMillis(); - try + lbl_loading.setVisible(true); + Collection wantedFields = PDBDocFieldPreferences + .getStructureSummaryFields(); + Collection filteredResponse = new HashSet(); + HashSet errors = new HashSet(); + for (SequenceI seq : selectedSequences) { - lbl_loading.setVisible(true); + PDBRestRequest pdbRequest = new PDBRestRequest(); + pdbRequest.setAllowEmptySeq(false); pdbRequest.setResponseSize(1); pdbRequest.setFieldToSearchBy("(text:"); pdbRequest.setFieldToSortBy(fieldToFilterBy, !chk_invertFilter.isSelected()); - - Collection filteredResponse = new HashSet(); - for (SequenceI seq : selectedSequences) + pdbRequest.setSearchTerm(buildQuery(seq) + ")"); + pdbRequest.setWantedFields(wantedFields); + pdbRequest.setAssociatedSequence(seq); + pdbRestCleint = new PDBRestClient(); + PDBRestResponse resultList; + try { - pdbRequest.setSearchTerm(buildQuery(seq) + ")"); - pdbRequest.setAssociatedSequence(seq.getName()); - pdbRestCleint = new PDBRestClient(); - PDBRestResponse resultList = pdbRestCleint - .executeRequest(pdbRequest); - if (resultList.getSearchSummary() != null - && !resultList.getSearchSummary().isEmpty()) - { - filteredResponse.addAll(resultList.getSearchSummary()); - } + 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()); } + } - if (filteredResponse != null) + 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) { - int filterResponseCount = filteredResponse.size(); - List originalDiscoveredStructuresList = new ArrayList( - discoveredStructuresSet); - originalDiscoveredStructuresList.removeAll(filteredResponse); - Collection reorderedStructuresSet = new ArrayList(); - reorderedStructuresSet.addAll(filteredResponse); - reorderedStructuresSet.addAll(originalDiscoveredStructuresList); - - tbl_summary.setModel(PDBRestResponse.getTableModel(pdbRequest, - reorderedStructuresSet)); - - ListSelectionModel model = tbl_summary.getSelectionModel(); - model.clearSelection(); - for (int x = 0; x < filterResponseCount; x++) + StringBuilder errorMsg = new StringBuilder(); + for (String error : errors) { - model.addSelectionInterval(x, x); + errorMsg.append(error).append("\n"); } - - // Discard unwanted objects to make them eligible for garbage - // collection - originalDiscoveredStructuresList = null; - reorderedStructuresSet = null; + JOptionPane.showMessageDialog(null, errorMsg.toString(), + "PDB Web-service Error", JOptionPane.ERROR_MESSAGE); } - - lbl_loading.setVisible(false); - } catch (Exception e) - { - e.printStackTrace(); } - String totalTime = (System.currentTimeMillis() - startTime) - + " milli secs"; - mainFrame.setTitle("Structure Chooser - Filter time (" + totalTime - + ")"); + + lbl_loading.setVisible(false); validateSelections(); } @@ -305,8 +409,6 @@ public class StructureChooser extends GStructureChooser filterThread.start(); } - - /** * Handles action event for btn_pdbFromFile */ @@ -356,6 +458,8 @@ public class StructureChooser extends GStructureChooser VIEWS_ENTER_ID)); cmb_filterOption.addItem(new FilterOption("From File", "-", VIEWS_FROM_FILE)); + cmb_filterOption.addItem(new FilterOption("Cached PDB Entries", "-", + VIEWS_LOCAL_PDB)); } /** @@ -376,8 +480,10 @@ public class StructureChooser extends GStructureChooser chk_invertFilter.setVisible(true); filterResultSet(selectedFilterOpt.getValue()); } - else + else if (selectedFilterOpt.getView() == VIEWS_ENTER_ID + || selectedFilterOpt.getView() == VIEWS_FROM_FILE) { + mainFrame.setTitle(filterTitle); idInputAssSeqPanel.loadCmbAssSeq(); fileChooserAssSeqPanel.loadCmbAssSeq(); } @@ -401,6 +507,13 @@ public class StructureChooser extends GStructureChooser 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(); @@ -409,7 +522,6 @@ public class StructureChooser extends GStructureChooser { validateAssociationFromFile(); } - } /** @@ -420,6 +532,21 @@ public class StructureChooser extends GStructureChooser AssociateSeqOptions assSeqOpt = (AssociateSeqOptions) idInputAssSeqPanel .getCmb_assSeq().getSelectedItem(); lbl_pdbManualFetchStatus.setIcon(errorImage); + lbl_pdbManualFetchStatus.setToolTipText(""); + if (txt_search.getText().length() > 0) + { + lbl_pdbManualFetchStatus.setToolTipText(JvSwingUtils.wrapTooltip( + true, "No PDB entry found for \'" + txt_search.getText() + + "\'")); + } + + 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-")) @@ -428,6 +555,7 @@ public class StructureChooser extends GStructureChooser if (isValidPBDEntry) { btn_view.setEnabled(true); + lbl_pdbManualFetchStatus.setToolTipText(""); lbl_pdbManualFetchStatus.setIcon(goodImage); } } @@ -447,8 +575,7 @@ public class StructureChooser extends GStructureChooser .getCmb_assSeq().getSelectedItem(); lbl_fromFileStatus.setIcon(errorImage); if (selectedSequences.length == 1 - || (assSeqOpt != null - && !assSeqOpt.getName().equalsIgnoreCase( + || (assSeqOpt != null && !assSeqOpt.getName().equalsIgnoreCase( "-Select Associated Seq-"))) { btn_pdbFromFile.setEnabled(true); @@ -503,60 +630,145 @@ public class StructureChooser extends GStructureChooser String currentView = selectedFilterOpt.getView(); if (currentView == VIEWS_FILTER) { - int pdbIdCol = PDBRestClient.getPDBIdColumIndex( - pdbRequest.getWantedFields(), true); + 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; - for (int summaryRow : selectedRows) + ArrayList selectedSeqsToView = new ArrayList(); + for (int row : selectedRows) { - String pdbIdStr = tbl_summary.getValueAt(summaryRow, pdbIdCol) + String pdbIdStr = tbl_summary.getValueAt(row, pdbIdColIndex) .toString(); - PDBEntry pdbEntry = new PDBEntry(); - pdbEntry.setId(pdbIdStr); - pdbEntry.setType("PDB"); + SequenceI selectedSeq = (SequenceI) tbl_summary.getValueAt(row, + refSeqColIndex); + selectedSeqsToView.add(selectedSeq); + PDBEntry pdbEntry = selectedSeq.getPDBEntry(pdbIdStr); + if (pdbEntry == null) + { + pdbEntry = new PDBEntry(); + pdbEntry.setId(pdbIdStr); + pdbEntry.setType(PDBEntry.Type.PDB); + selectedSeq.getDatasetSequence().addPDBId(pdbEntry); + } + 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) + { + PDBEntry pdbEntry = (PDBEntry) tbl_local_pdb.getValueAt(row, + pdbIdColIndex); pdbEntriesToView[count++] = pdbEntry; + SequenceI selectedSeq = (SequenceI) tbl_local_pdb.getValueAt(row, + refSeqColIndex); + selectedSeqsToView.add(selectedSeq); } - new StructureViewer(ap.getStructureSelectionManager()) - .viewStructures(ap, pdbEntriesToView, - ap.av.collateForPDB(pdbEntriesToView)); + SequenceI[] selectedSeqs = selectedSeqsToView + .toArray(new SequenceI[selectedSeqsToView.size()]); + launchStructureViewer(ap.getStructureSelectionManager(), + pdbEntriesToView, ap, selectedSeqs); } else if (currentView == VIEWS_ENTER_ID) { - selectedSequence = ((AssociateSeqOptions) idInputAssSeqPanel + SequenceI userSelectedSeq = ((AssociateSeqOptions) idInputAssSeqPanel .getCmb_assSeq().getSelectedItem()).getSequence(); - PDBEntry pdbEntry = new PDBEntry(); - pdbEntry.setId(txt_search.getText()); - pdbEntry.setType("PDB"); - selectedSequence.getDatasetSequence().addPDBId(pdbEntry); + if (userSelectedSeq != null) + { + selectedSequence = userSelectedSeq; + } + + String pdbIdStr = txt_search.getText(); + PDBEntry pdbEntry = selectedSequence.getPDBEntry(pdbIdStr); + if (pdbEntry == null) + { + pdbEntry = new PDBEntry(); + pdbEntry.setId(pdbIdStr); + pdbEntry.setType(PDBEntry.Type.PDB); + selectedSequence.getDatasetSequence().addPDBId(pdbEntry); + } + PDBEntry[] pdbEntriesToView = new PDBEntry[] { pdbEntry }; - new StructureViewer(ap.getStructureSelectionManager()) - .viewStructures(ap, pdbEntriesToView, - ap.av.collateForPDB(pdbEntriesToView)); + launchStructureViewer(ap.getStructureSelectionManager(), + pdbEntriesToView, ap, new SequenceI[] + { selectedSequence }); } else if (currentView == VIEWS_FROM_FILE) { - selectedSequence = ((AssociateSeqOptions) fileChooserAssSeqPanel + SequenceI userSelectedSeq = ((AssociateSeqOptions) fileChooserAssSeqPanel .getCmb_assSeq().getSelectedItem()).getSequence(); - new AssociatePdbFileWithSeq().associatePdbWithSeq( - selectedPdbFileName, jalview.io.AppletFormatAdapter.FILE, - selectedSequence, true, Desktop.instance); + 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(); } + private void launchStructureViewer(final StructureSelectionManager ssm, + final PDBEntry[] pdbEntriesToView, + final AlignmentPanel alignPanel, final SequenceI[] sequences) + { + final StructureViewer sViewer = new StructureViewer(ssm); + new Thread(new Runnable() + { + public void run() + { + if (pdbEntriesToView.length > 1) + { + 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); + } + else + { + sViewer.viewStructures(pdbEntriesToView[0], sequences, alignPanel); + } + } + }).start(); + } + /** * 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) + 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) { for (SequenceI seq : selectedSequences) @@ -566,6 +778,10 @@ public class StructureChooser extends GStructureChooser } 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); } } @@ -588,20 +804,32 @@ public class StructureChooser extends GStructureChooser @Override protected void txt_search_ActionPerformed() { + errorWarning.setLength(0); isValidPBDEntry = false; if (txt_search.getText().length() > 0) { List wantedFields = new ArrayList(); wantedFields.add(PDBDocField.PDB_ID); - pdbRequest = new PDBRestRequest(); + 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()); + pdbRequest.setAssociatedSequence(selectedSequence); pdbRestCleint = new PDBRestClient(); - PDBRestResponse resultList = pdbRestCleint.executeRequest(pdbRequest); + 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) { @@ -611,4 +839,122 @@ public class StructureChooser extends GStructureChooser validateSelections(); } + @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(); + } + } + + public class PDBEntryTableModel extends AbstractTableModel + { + String[] columns = + { "Ref Sequence", "PDB Id", "Chain", "Type", "File" }; + + private List pdbEntries; + + public PDBEntryTableModel(List pdbEntries) + { + this.pdbEntries = new ArrayList(pdbEntries); + } + + @Override + public String getColumnName(int columnIndex) + { + return columns[columnIndex]; + } + + @Override + public int getRowCount() + { + return pdbEntries.size(); + } + + @Override + public int getColumnCount() + { + return columns.length; + } + + @Override + public boolean isCellEditable(int row, int column) + { + return false; + } + + @Override + public Object getValueAt(int rowIndex, int columnIndex) + { + Object value = "??"; + CachedPDB entry = pdbEntries.get(rowIndex); + switch (columnIndex) + { + case 0: + value = entry.getSequence(); + break; + case 1: + value = entry.getPdbEntry(); + break; + case 2: + value = entry.getPdbEntry().getChainCode() == null ? "_" : entry + .getPdbEntry().getChainCode(); + break; + case 3: + value = entry.getPdbEntry().getType(); + break; + case 4: + value = entry.getPdbEntry().getFile(); + break; + } + return value; + } + + @Override + public Class getColumnClass(int columnIndex) + { + return columnIndex == 0 ? SequenceI.class : PDBEntry.class; + } + + public CachedPDB getPDBEntryAt(int row) + { + return pdbEntries.get(row); + } + + } + + private class CachedPDB + { + private SequenceI sequence; + + private PDBEntry pdbEntry; + + public CachedPDB(SequenceI sequence, PDBEntry pdbEntry) + { + this.sequence = sequence; + this.pdbEntry = pdbEntry; + } + + public SequenceI getSequence() + { + return sequence; + } + + public PDBEntry getPdbEntry() + { + return pdbEntry; + } + + } }