X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fgui%2FStructureChooser.java;h=cb09b7ca0d305005fa8802bd38ea09a554db6db1;hb=cb597de858c70703321daa67adef5089957e9f55;hp=1c99f029819fbc1be390273481827841fe40e007;hpb=5a3e8375831cd87fb3668e0945f907ddce0ab82a;p=jalview.git diff --git a/src/jalview/gui/StructureChooser.java b/src/jalview/gui/StructureChooser.java index 1c99f02..cb09b7c 100644 --- a/src/jalview/gui/StructureChooser.java +++ b/src/jalview/gui/StructureChooser.java @@ -22,6 +22,7 @@ package jalview.gui; import jalview.api.structures.JalviewStructureDisplayI; +import jalview.bin.Cache; import jalview.bin.Jalview; import jalview.datamodel.DBRefEntry; import jalview.datamodel.DBRefSource; @@ -35,11 +36,8 @@ import jalview.fts.core.FTSRestResponse; import jalview.fts.service.pdb.PDBFTSRestClient; import jalview.io.DataSourceType; import jalview.jbgui.GStructureChooser; -import jalview.structure.StructureMapping; import jalview.structure.StructureSelectionManager; import jalview.util.MessageManager; -import jalview.ws.DBRefFetcher; -import jalview.ws.sifts.SiftsSettings; import java.awt.event.ItemEvent; import java.util.ArrayList; @@ -68,25 +66,27 @@ import javax.swing.table.AbstractTableModel; public class StructureChooser extends GStructureChooser implements IProgressIndicator { - private static int MAX_QLENGTH = 7820; + private static final String AUTOSUPERIMPOSE = "AUTOSUPERIMPOSE"; - private SequenceI selectedSequence; + private static final int MAX_QLENGTH = 7820; - private SequenceI[] selectedSequences; + protected SequenceI selectedSequence; + + public SequenceI[] selectedSequences; private IProgressIndicator progressIndicator; - private Collection discoveredStructuresSet; + protected Collection discoveredStructuresSet; - private FTSRestRequest lastPdbRequest; + protected FTSRestRequest lastPdbRequest; - private FTSRestClientI pdbRestCleint; + protected FTSRestClientI pdbRestClient; - private String selectedPdbFileName; + protected String selectedPdbFileName; - private boolean isValidPBDEntry; + protected boolean isValidPBDEntry; - private boolean cachedPDBExists; + protected boolean cachedPDBExists; public StructureChooser(SequenceI[] selectedSeqs, SequenceI selectedSeq, AlignmentPanel ap) @@ -101,13 +101,15 @@ public class StructureChooser extends GStructureChooser /** * Initializes parameters used by the Structure Chooser Panel */ - public void init() + protected void init() { if (!Jalview.isHeadlessMode()) { progressBar = new ProgressBar(this.statusPanel, this.statusBar); } + chk_superpose.setSelected(Cache.getDefault(AUTOSUPERIMPOSE, true)); + // ensure a filter option is in force for search populateFilterComboBox(true, cachedPDBExists); Thread discoverPDBStructuresThread = new Thread(new Runnable() @@ -134,23 +136,27 @@ public class StructureChooser extends GStructureChooser discoverPDBStructuresThread.start(); } - private void discoverStructureViews() + /** + * Builds a drop-down choice list of existing structure viewers to which new + * structures may be added. If this list is empty then it, and the 'Add' + * button, are hidden. + */ + protected void discoverStructureViews() { - if (Desktop.instance != null) + if (Desktop.getInstance() != null) { targetView.removeAllItems(); - targetView.addItem( - new StructureViewer(ap.getStructureSelectionManager())); - if (lastTargetedView != null && !lastTargetedView.isVisible()) + Desktop d = Desktop.getInstance(); + if (d.lastTargetedView != null && !d.lastTargetedView.isVisible()) { - lastTargetedView = null; + d.lastTargetedView = null; } - int linkedViewsAt = 1; - for (StructureViewerBase view : Desktop.instance + int linkedViewsAt = 0; + for (StructureViewerBase view : Desktop.getInstance() .getStructureViewers(null, null)) { - StructureViewer viewHandler = (lastTargetedView != null - && lastTargetedView.sview == view) ? lastTargetedView + StructureViewer viewHandler = (d.lastTargetedView != null + && d.lastTargetedView.sview == view) ? d.lastTargetedView : StructureViewer.reconfigure(view); if (view.isLinkedWith(ap)) @@ -163,18 +169,27 @@ public class StructureChooser extends GStructureChooser targetView.addItem(viewHandler); } } - targetView.setVisible(targetView.getItemCount() > 1); - // finally, restore last targeted view by default. - if (lastTargetedView != null) + /* + * show option to Add to viewer if at least 1 viewer found + */ + targetView.setVisible(false); + if (targetView.getItemCount() > 0) { - targetView.setSelectedItem(lastTargetedView); + targetView.setVisible(true); + if (d.lastTargetedView != null) + { + targetView.setSelectedItem(d.lastTargetedView); + } + else + { + targetView.setSelectedIndex(0); + } } + btn_add.setVisible(targetView.isVisible()); } } - private static StructureViewer lastTargetedView = null; - /** * Updates the progress indicator with the specified message * @@ -183,7 +198,7 @@ public class StructureChooser extends GStructureChooser * @param id * unique handle for this indicator */ - public void updateProgressIndicator(String message, long id) + protected void updateProgressIndicator(String message, long id) { if (progressIndicator != null) { @@ -195,10 +210,10 @@ public class StructureChooser extends GStructureChooser * Retrieve meta-data for all the structure(s) for a given sequence(s) in a * selection group */ - public void fetchStructuresMetaData() + void fetchStructuresMetaData() { long startTime = System.currentTimeMillis(); - pdbRestCleint = PDBFTSRestClient.getInstance(); + pdbRestClient = PDBFTSRestClient.getInstance(); Collection wantedFields = pdbDocFieldPrefs .getStructureSummaryFields(); @@ -220,7 +235,7 @@ public class StructureChooser extends GStructureChooser FTSRestResponse resultList; try { - resultList = pdbRestCleint.executeRequest(pdbRequest); + resultList = pdbRestClient.executeRequest(pdbRequest); } catch (Exception e) { e.printStackTrace(); @@ -266,7 +281,7 @@ public class StructureChooser extends GStructureChooser } } - public void loadLocalCachedPDBEntries() + protected void loadLocalCachedPDBEntries() { ArrayList entries = new ArrayList<>(); for (SequenceI seq : selectedSequences) @@ -297,7 +312,7 @@ public class StructureChooser extends GStructureChooser * @return the built query string */ - public static String buildQuery(SequenceI seq) + static String buildQuery(SequenceI seq) { boolean isPDBRefsFound = false; boolean isUniProtRefsFound = false; @@ -318,10 +333,12 @@ public class StructureChooser extends GStructureChooser } } - if (seq.getDBRefs() != null && seq.getDBRefs().length != 0) + List refs = seq.getDBRefs(); + if (refs != null && refs.size() != 0) { - for (DBRefEntry dbRef : seq.getDBRefs()) + for (int ib = 0, nb = refs.size(); ib < nb; ib++) { + DBRefEntry dbRef = refs.get(ib); if (isValidSeqName(getDBRefId(dbRef)) && queryBuilder.length() < MAX_QLENGTH) { @@ -399,7 +416,7 @@ public class StructureChooser extends GStructureChooser * @param seqName * @return */ - public static boolean isValidSeqName(String seqName) + static boolean isValidSeqName(String seqName) { // System.out.println("seqName : " + seqName); String ignoreList = "pdb,uniprot,swiss-prot"; @@ -422,7 +439,7 @@ public class StructureChooser extends GStructureChooser return true; } - public static String getDBRefId(DBRefEntry dbRef) + static String getDBRefId(DBRefEntry dbRef) { String ref = dbRef.getAccessionId().replaceAll("GO:", ""); return ref; @@ -434,7 +451,7 @@ public class StructureChooser extends GStructureChooser * @param fieldToFilterBy * the field to filter by */ - public void filterResultSet(final String fieldToFilterBy) + void filterResultSet(final String fieldToFilterBy) { Thread filterThread = new Thread(new Runnable() { @@ -442,7 +459,7 @@ public class StructureChooser extends GStructureChooser public void run() { long startTime = System.currentTimeMillis(); - pdbRestCleint = PDBFTSRestClient.getInstance(); + pdbRestClient = PDBFTSRestClient.getInstance(); lbl_loading.setVisible(true); Collection wantedFields = pdbDocFieldPrefs .getStructureSummaryFields(); @@ -478,7 +495,7 @@ public class StructureChooser extends GStructureChooser FTSRestResponse resultList; try { - resultList = pdbRestCleint.executeRequest(pdbRequest); + resultList = pdbRestClient.executeRequest(pdbRequest); } catch (Exception e) { e.printStackTrace(); @@ -544,8 +561,10 @@ public class StructureChooser extends GStructureChooser * Handles action event for btn_pdbFromFile */ @Override - public void pdbFromFile_actionPerformed() + protected void pdbFromFile_actionPerformed() { + // TODO: JAL-3048 not needed for Jalview-JS until JSmol dep and StructureChooser + // works jalview.io.JalviewFileChooser chooser = new jalview.io.JalviewFileChooser( jalview.bin.Cache.getProperty("LAST_DIRECTORY")); chooser.setFileView(new jalview.io.JalviewFileView()); @@ -645,28 +664,37 @@ public class StructureChooser extends GStructureChooser } /** - * Validates user selection and activates the view button if all parameters - * are correct + * Validates user selection and enables the 'Add' and 'New View' buttons if + * all parameters are correct (the Add button will only be visible if there is + * at least one existing structure viewer open). This basically means at least + * one structure selected and no error messages. + *

+ * The 'Superpose Structures' option is enabled if either more than one + * structure is selected, or the 'Add' to existing view option is enabled, and + * disabled if the only option is to open a new view of a single structure. */ @Override - public void validateSelections() + protected void validateSelections() { FilterOption selectedFilterOpt = ((FilterOption) cmb_filterOption .getSelectedItem()); - btn_view.setEnabled(false); + btn_add.setEnabled(false); String currentView = selectedFilterOpt.getView(); + int selectedCount = 0; if (currentView == VIEWS_FILTER) { - if (getResultTable().getSelectedRows().length > 0) + selectedCount = getResultTable().getSelectedRows().length; + if (selectedCount > 0) { - btn_view.setEnabled(true); + btn_add.setEnabled(true); } } else if (currentView == VIEWS_LOCAL_PDB) { - if (tbl_local_pdb.getSelectedRows().length > 0) + selectedCount = tbl_local_pdb.getSelectedRows().length; + if (selectedCount > 0) { - btn_view.setEnabled(true); + btn_add.setEnabled(true); } } else if (currentView == VIEWS_ENTER_ID) @@ -677,12 +705,21 @@ public class StructureChooser extends GStructureChooser { validateAssociationFromFile(); } + + btn_newView.setEnabled(btn_add.isEnabled()); + + /* + * enable 'Superpose' option if more than one structure is selected, + * or there are view(s) available to add structure(s) to + */ + chk_superpose + .setEnabled(selectedCount > 1 || targetView.getItemCount() > 0); } /** * Validates inputs from the Manual PDB entry panel */ - public void validateAssociationEnterPdb() + protected void validateAssociationEnterPdb() { AssociateSeqOptions assSeqOpt = (AssociateSeqOptions) idInputAssSeqPanel .getCmb_assSeq().getSelectedItem(); @@ -708,7 +745,7 @@ public class StructureChooser extends GStructureChooser txt_search.setEnabled(true); if (isValidPBDEntry) { - btn_view.setEnabled(true); + btn_add.setEnabled(true); lbl_pdbManualFetchStatus.setToolTipText(""); lbl_pdbManualFetchStatus.setIcon(goodImage); } @@ -723,7 +760,7 @@ public class StructureChooser extends GStructureChooser /** * Validates inputs for the manual PDB file selection options */ - public void validateAssociationFromFile() + protected void validateAssociationFromFile() { AssociateSeqOptions assSeqOpt = (AssociateSeqOptions) fileChooserAssSeqPanel .getCmb_assSeq().getSelectedItem(); @@ -734,7 +771,7 @@ public class StructureChooser extends GStructureChooser btn_pdbFromFile.setEnabled(true); if (selectedPdbFileName != null && selectedPdbFileName.length() > 0) { - btn_view.setEnabled(true); + btn_add.setEnabled(true); lbl_fromFileStatus.setIcon(goodImage); } } @@ -746,7 +783,7 @@ public class StructureChooser extends GStructureChooser } @Override - public void cmbAssSeqStateChanged() + protected void cmbAssSeqStateChanged() { validateSelections(); } @@ -810,11 +847,22 @@ public class StructureChooser extends GStructureChooser } return found; } + + /** + * Handles the 'New View' action + */ + @Override + protected void newView_ActionPerformed() + { + targetView.setSelectedItem(null); + showStructures(false); + } + /** - * Handles action event for btn_ok + * Handles the 'Add to existing viewer' action */ @Override - public void ok_ActionPerformed() + protected void add_ActionPerformed() { showStructures(false); } @@ -822,13 +870,11 @@ public class StructureChooser extends GStructureChooser /** * structure viewer opened by this dialog, or null */ - private StructureViewer sViewer = null; + protected StructureViewer sViewer = null; public void showStructures(boolean waitUntilFinished) { - final StructureSelectionManager ssm = ap.getStructureSelectionManager(); - final int preferredHeight = pnl_filter.getHeight(); Runnable viewStruc = new Runnable() @@ -877,7 +923,7 @@ public class StructureChooser extends GStructureChooser } SequenceI[] selectedSeqs = selectedSeqsToView .toArray(new SequenceI[selectedSeqsToView.size()]); - sViewer = launchStructureViewer(ssm, pdbEntriesToView, ap, + sViewer = launchStructureViewer(ap, pdbEntriesToView, selectedSeqs); } else if (currentView == VIEWS_LOCAL_PDB) @@ -901,7 +947,7 @@ public class StructureChooser extends GStructureChooser } SequenceI[] selectedSeqs = selectedSeqsToView .toArray(new SequenceI[selectedSeqsToView.size()]); - sViewer = launchStructureViewer(ssm, pdbEntriesToView, ap, + sViewer = launchStructureViewer(ap, pdbEntriesToView, selectedSeqs); } else if (currentView == VIEWS_ENTER_ID) @@ -931,7 +977,7 @@ public class StructureChooser extends GStructureChooser } PDBEntry[] pdbEntriesToView = new PDBEntry[] { pdbEntry }; - sViewer = launchStructureViewer(ssm, pdbEntriesToView, ap, + sViewer = launchStructureViewer(ap, pdbEntriesToView, new SequenceI[] { selectedSequence }); } @@ -943,14 +989,13 @@ public class StructureChooser extends GStructureChooser { selectedSequence = userSelectedSeq; } - PDBEntry fileEntry = new AssociatePdbFileWithSeq() + PDBEntry fileEntry = AssociatePdbFileWithSeq .associatePdbWithSeq(selectedPdbFileName, - DataSourceType.FILE, selectedSequence, true, - Desktop.instance); + DataSourceType.FILE, selectedSequence, true); sViewer = launchStructureViewer( - ssm, new PDBEntry[] - { fileEntry }, ap, + ap, new PDBEntry[] + { fileEntry }, new SequenceI[] { selectedSequence }); } @@ -984,7 +1029,7 @@ public class StructureChooser extends GStructureChooser } } - private PDBEntry getFindEntry(String id, Vector pdbEntries) + protected PDBEntry getFindEntry(String id, Vector pdbEntries) { Objects.requireNonNull(id); Objects.requireNonNull(pdbEntries); @@ -999,96 +1044,41 @@ public class StructureChooser extends GStructureChooser return foundEntry; } - public StructureViewer getTargetedStructureViewer( - StructureSelectionManager ssm) + /** + * Answers a structure viewer (new or existing) configured to superimpose + * added structures or not according to the user's choice + * + * @return + */ + StructureViewer getTargetedStructureViewer() { - Object _sv = targetView.getSelectedItem(); + final StructureSelectionManager ssm = ap.getStructureSelectionManager(); + Object sv = (targetView == null ? null : targetView.getSelectedItem()); - if (_sv == null) - { - return new StructureViewer(ssm); - } else { - return (StructureViewer) _sv; - } + return sv == null ? new StructureViewer(ssm) : (StructureViewer) sv; } - private StructureViewer launchStructureViewer( - StructureSelectionManager ssm, - final PDBEntry[] pdbEntriesToView, - final AlignmentPanel alignPanel, SequenceI[] sequences) - { - long progressId = sequences.hashCode(); - setProgressBar(MessageManager - .getString("status.launching_3d_structure_viewer"), progressId); - final StructureViewer sViewer = getTargetedStructureViewer(ssm); - - setProgressBar(null, progressId); - if (SiftsSettings.isMapWithSifts()) - { - List seqsWithoutSourceDBRef = new ArrayList<>(); - int p = 0; - // TODO: skip PDBEntry:Sequence pairs where PDBEntry doesn't look like a - // real PDB ID. For moment, we can also safely do this if there is already - // a known mapping between the PDBEntry and the sequence. - for (SequenceI seq : sequences) - { - PDBEntry pdbe = pdbEntriesToView[p++]; - if (pdbe != null && pdbe.getFile() != null) - { - StructureMapping[] smm = ssm.getMapping(pdbe.getFile()); - if (smm != null && smm.length > 0) - { - for (StructureMapping sm : smm) - { - if (sm.getSequence() == seq) - { - continue; - } - } - } - } - if (seq.getPrimaryDBRefs().size() == 0) - { - seqsWithoutSourceDBRef.add(seq); - continue; - } - } - if (!seqsWithoutSourceDBRef.isEmpty()) - { - int y = seqsWithoutSourceDBRef.size(); - setProgressBar(MessageManager.formatMessage( - "status.fetching_dbrefs_for_sequences_without_valid_refs", - y), progressId); - SequenceI[] seqWithoutSrcDBRef = new SequenceI[y]; - int x = 0; - for (SequenceI fSeq : seqsWithoutSourceDBRef) - { - seqWithoutSrcDBRef[x++] = fSeq; - } - - DBRefFetcher dbRefFetcher = new DBRefFetcher(seqWithoutSrcDBRef); - dbRefFetcher.fetchDBRefs(true); - setProgressBar("Fetch complete.", progressId); // todo i18n - } - } - if (pdbEntriesToView.length > 1) - { - setProgressBar(MessageManager.getString( - "status.fetching_3d_structures_for_selected_entries"), - progressId); - sViewer.viewStructures(pdbEntriesToView, sequences, alignPanel); - } - else - { - setProgressBar(MessageManager.formatMessage( - "status.fetching_3d_structures_for", - pdbEntriesToView[0].getId()),progressId); - sViewer.viewStructures(pdbEntriesToView[0], sequences, alignPanel); - } - setProgressBar(null, progressId); - // remember the last viewer we used... - lastTargetedView = sViewer; - return sViewer; + /** + * Adds PDB structures to a new or existing structure viewer + * + * @param ap + * @param pdbEntriesToView + * @param sequences + * @param superimpose + * @return viewer + */ + protected StructureViewer launchStructureViewer( + AlignmentPanel ap, PDBEntry[] pdbEntriesToView, + SequenceI[] selectedSeqs) + { + boolean superimpose = chk_superpose.isSelected(); + /* + * remember user's choice of superimpose or not + */ + Cache.setProperty(AUTOSUPERIMPOSE, + Boolean.valueOf(superimpose).toString()); + return StructureViewer.launchStructureViewer(ap, pdbEntriesToView, selectedSeqs, + superimpose, getTargetedStructureViewer(), progressBar); } /** @@ -1096,7 +1086,7 @@ public class StructureChooser extends GStructureChooser * a unique sequence when more than one sequence selection is made. */ @Override - public void populateCmbAssociateSeqOptions( + protected void populateCmbAssociateSeqOptions( JComboBox cmb_assSeq, JLabel lbl_associateSeq) { @@ -1121,30 +1111,33 @@ public class StructureChooser extends GStructureChooser } } - public boolean isStructuresDiscovered() + protected boolean isStructuresDiscovered() { return discoveredStructuresSet != null && !discoveredStructuresSet.isEmpty(); } - public Collection getDiscoveredStructuresSet() - { - return discoveredStructuresSet; - } + protected int PDB_ID_MIN = 3;// or: (Jalview.isJS() ? 3 : 1); // Bob proposes this. + // Doing a search for "1" or "1c" is valuable? + // Those work but are enormously slow. @Override protected void txt_search_ActionPerformed() { + String text = txt_search.getText().trim(); + if (text.length() >= PDB_ID_MIN) + { new Thread() { - @Override + + @Override public void run() { errorWarning.setLength(0); isValidPBDEntry = false; - if (txt_search.getText().length() > 0) + if (text.length() > 0) { - String searchTerm = txt_search.getText().toLowerCase(); + String searchTerm = text.toLowerCase(); searchTerm = searchTerm.split(":")[0]; // System.out.println(">>>>> search term : " + searchTerm); List wantedFields = new ArrayList<>(); @@ -1155,12 +1148,12 @@ public class StructureChooser extends GStructureChooser pdbRequest.setWantedFields(wantedFields); pdbRequest.setSearchTerm(searchTerm + ")"); pdbRequest.setAssociatedSequence(selectedSequence); - pdbRestCleint = PDBFTSRestClient.getInstance(); - wantedFields.add(pdbRestCleint.getPrimaryKeyColumn()); + pdbRestClient = PDBFTSRestClient.getInstance(); + wantedFields.add(pdbRestClient.getPrimaryKeyColumn()); FTSRestResponse resultList; try { - resultList = pdbRestCleint.executeRequest(pdbRequest); + resultList = pdbRestClient.executeRequest(pdbRequest); } catch (Exception e) { errorWarning.append(e.getMessage()); @@ -1179,9 +1172,10 @@ public class StructureChooser extends GStructureChooser } }.start(); } + } @Override - public void tabRefresh() + protected void tabRefresh() { if (selectedSequences != null) { @@ -1305,7 +1299,10 @@ public class StructureChooser extends GStructureChooser @Override public void setProgressBar(String message, long id) { - progressBar.setProgressBar(message, id); + if (progressBar != null) + { + progressBar.setProgressBar(message, id); + } } @Override