X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fgui%2FStructureViewerBase.java;h=418a84d87b7f0e3d49bd1e9a8c99c1dde34c3a60;hb=3da878124135ff033f42d19d8733891b09e953cd;hp=1feaa7ca05301bbe01e771f5e232e7c92a4bdb24;hpb=36933f9b768b9f8ace600215c1ddb4882331b92b;p=jalview.git diff --git a/src/jalview/gui/StructureViewerBase.java b/src/jalview/gui/StructureViewerBase.java index 1feaa7c..418a84d 100644 --- a/src/jalview/gui/StructureViewerBase.java +++ b/src/jalview/gui/StructureViewerBase.java @@ -1,15 +1,68 @@ +/* + * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$) + * Copyright (C) $$Year-Rel$$ 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.api.AlignmentViewPanel; +import jalview.bin.Cache; +import jalview.datamodel.Alignment; +import jalview.datamodel.AlignmentI; +import jalview.datamodel.HiddenColumns; +import jalview.datamodel.PDBEntry; +import jalview.datamodel.SequenceI; +import jalview.gui.JalviewColourChooser.ColourChooserListener; +import jalview.gui.StructureViewer.ViewerType; +import jalview.gui.ViewSelectionMenu.ViewSetProvider; +import jalview.io.DataSourceType; +import jalview.io.JalviewFileChooser; +import jalview.io.JalviewFileView; +import jalview.jbgui.GStructureViewer; +import jalview.schemes.ColourSchemeI; +import jalview.schemes.ColourSchemes; +import jalview.structure.StructureMapping; +import jalview.structures.models.AAStructureBindingModel; +import jalview.util.MessageManager; + +import java.awt.Color; import java.awt.Component; +import java.awt.event.ActionEvent; +import java.awt.event.ActionListener; +import java.awt.event.ItemEvent; +import java.awt.event.ItemListener; +import java.io.BufferedReader; +import java.io.File; +import java.io.FileOutputStream; +import java.io.FileReader; +import java.io.IOException; +import java.io.PrintWriter; import java.util.ArrayList; import java.util.List; import java.util.Vector; +import javax.swing.ButtonGroup; +import javax.swing.JCheckBoxMenuItem; +import javax.swing.JMenu; import javax.swing.JMenuItem; - -import jalview.gui.StructureViewer.ViewerType; -import jalview.gui.ViewSelectionMenu.ViewSetProvider; -import jalview.jbgui.GStructureViewer; +import javax.swing.JRadioButtonMenuItem; +import javax.swing.event.MenuEvent; +import javax.swing.event.MenuListener; /** * Base class with common functionality for JMol, Chimera or other structure @@ -21,23 +74,81 @@ import jalview.jbgui.GStructureViewer; public abstract class StructureViewerBase extends GStructureViewer implements Runnable, ViewSetProvider { + /* + * names for colour options (additional to Jalview colour schemes) + */ + enum ViewerColour + { + BySequence, ByChain, ChargeCysteine, ByViewer + } /** * list of sequenceSet ids associated with the view */ - protected List _aps = new ArrayList(); + protected List _aps = new ArrayList<>(); + /** * list of alignment panels to use for superposition */ - protected Vector _alignwith = new Vector(); + protected Vector _alignwith = new Vector<>(); + /** * list of alignment panels that are used for colouring structures by aligned * sequences */ - protected Vector _colourwith = new Vector(); + protected Vector _colourwith = new Vector<>(); + private String viewId = null; + private AlignmentPanel ap; + protected boolean alignAddedStructures = false; + + protected volatile boolean _started = false; + + protected volatile boolean addingStructures = false; + + protected Thread worker = null; + + protected boolean allChainsSelected = false; + + protected JMenu viewSelectionMenu; + + /** + * set after sequence colouring has been applied for this structure viewer. + * used to determine if the final sequence/structure mapping has been + * determined + */ + protected volatile boolean seqColoursApplied = false; + + /** + * Default constructor + */ + public StructureViewerBase() + { + super(); + } + + /** + * @return true if added structures should be aligned to existing one(s) + */ + @Override + public boolean isAlignAddedStructures() + { + return alignAddedStructures; + } + + /** + * + * @param true + * if added structures should be aligned to existing one(s) + */ + @Override + public void setAlignAddedStructures(boolean alignAdded) + { + alignAddedStructures = alignAdded; + } + /** * * @param ap2 @@ -50,7 +161,7 @@ public abstract class StructureViewerBase extends GStructureViewer public boolean isUsedforaligment(AlignmentPanel ap2) { - + return (_alignwith != null) && _alignwith.contains(ap2); } @@ -88,7 +199,7 @@ public abstract class StructureViewerBase extends GStructureViewer { if (_alignwith == null) { - _alignwith = new Vector(); + _alignwith = new Vector<>(); } if (_alignwith.size() == 0 && ap != null) { @@ -114,6 +225,7 @@ public abstract class StructureViewerBase extends GStructureViewer this.ap = alp; } + @Override public AlignmentPanel[] getAllAlignmentPanels() { AlignmentPanel[] t, list = new AlignmentPanel[0]; @@ -128,7 +240,7 @@ public abstract class StructureViewerBase extends GStructureViewer list = t; } } - + return list; } @@ -199,7 +311,8 @@ public abstract class StructureViewerBase extends GStructureViewer } } - public void useAlignmentPanelForColourbyseq(AlignmentPanel nap, boolean enableColourBySeq) + public void useAlignmentPanelForColourbyseq(AlignmentPanel nap, + boolean enableColourBySeq) { useAlignmentPanelForColourbyseq(nap); getBinding().setColourBySequence(enableColourBySeq); @@ -225,4 +338,715 @@ public abstract class StructureViewerBase extends GStructureViewer } public abstract ViewerType getViewerType(); + + protected abstract IProgressIndicator getIProgressIndicator(); + + /** + * add a new structure (with associated sequences and chains) to this viewer, + * retrieving it if necessary first. + * + * @param pdbentry + * @param seqs + * @param chains + * @param align + * if true, new structure(s) will be aligned using associated + * alignment + * @param alignFrame + */ + protected void addStructure(final PDBEntry pdbentry, + final SequenceI[] seqs, final String[] chains, + final IProgressIndicator alignFrame) + { + if (pdbentry.getFile() == null) + { + if (worker != null && worker.isAlive()) + { + // a retrieval is in progress, wait around and add ourselves to the + // queue. + new Thread(new Runnable() + { + @Override + public void run() + { + while (worker != null && worker.isAlive() && _started) + { + try + { + Thread.sleep(100 + ((int) Math.random() * 100)); + + } catch (Exception e) + { + } + } + // and call ourselves again. + addStructure(pdbentry, seqs, chains, alignFrame); + } + }).start(); + return; + } + } + // otherwise, start adding the structure. + getBinding().addSequenceAndChain(new PDBEntry[] { pdbentry }, + new SequenceI[][] + { seqs }, new String[][] { chains }); + addingStructures = true; + _started = false; + worker = new Thread(this); + worker.start(); + return; + } + + protected boolean hasPdbId(String pdbId) + { + return getBinding().hasPdbId(pdbId); + } + + /** + * Returns a list of any viewer of the instantiated type. The list is + * restricted to those linked to the given alignment panel if it is not null. + */ + protected List getViewersFor(AlignmentPanel alp) + { + return Desktop.instance.getStructureViewers(alp, this.getClass()); + } + + @Override + public void addToExistingViewer(PDBEntry pdbentry, SequenceI[] seq, + String[] chains, final AlignmentViewPanel apanel, String pdbId) + { + /* + * JAL-1742 exclude view with this structure already mapped (don't offer + * to align chain B to chain A of the same structure); code may defend + * against this possibility before we reach here + */ + if (hasPdbId(pdbId)) + { + return; + } + AlignmentPanel alignPanel = (AlignmentPanel) apanel; // Implementation error if this + // cast fails + useAlignmentPanelForSuperposition(alignPanel); + addStructure(pdbentry, seq, chains, alignPanel.alignFrame); + } + + /** + * Adds mappings for the given sequences to an already opened PDB structure, + * and updates any viewers that have the PDB file + * + * @param seq + * @param chains + * @param apanel + * @param pdbFilename + */ + public void addSequenceMappingsToStructure(SequenceI[] seq, + String[] chains, final AlignmentViewPanel alpanel, + String pdbFilename) + { + AlignmentPanel apanel = (AlignmentPanel) alpanel; + + // TODO : Fix multiple seq to one chain issue here. + /* + * create the mappings + */ + apanel.getStructureSelectionManager().setMapping(seq, chains, + pdbFilename, DataSourceType.FILE, getIProgressIndicator()); + + /* + * alert the FeatureRenderer to show new (PDB RESNUM) features + */ + if (apanel.getSeqPanel().seqCanvas.fr != null) + { + apanel.getSeqPanel().seqCanvas.fr.featuresAdded(); + // note - we don't do a refresh for structure here because we do it + // explicitly for all panels later on + apanel.paintAlignment(true, false); + } + + /* + * add the sequences to any other viewers (of the same type) for this pdb + * file + */ + // JBPNOTE: this looks like a binding routine, rather than a gui routine + for (StructureViewerBase viewer : getViewersFor(null)) + { + AAStructureBindingModel bindingModel = viewer.getBinding(); + for (int pe = 0; pe < bindingModel.getPdbCount(); pe++) + { + if (bindingModel.getPdbEntry(pe).getFile().equals(pdbFilename)) + { + bindingModel.addSequence(pe, seq); + viewer.addAlignmentPanel(apanel); + /* + * add it to the set of alignments used for colouring structure by + * sequence + */ + viewer.useAlignmentPanelForColourbyseq(apanel); + viewer.buildActionMenu(); + apanel.getStructureSelectionManager() + .sequenceColoursChanged(apanel); + break; + } + } + } + } + + @Override + public boolean addAlreadyLoadedFile(SequenceI[] seq, String[] chains, + final AlignmentViewPanel apanel, String pdbId) + { + String alreadyMapped = apanel.getStructureSelectionManager() + .alreadyMappedToFile(pdbId); + + if (alreadyMapped == null) + { + return false; + } + + addSequenceMappingsToStructure(seq, chains, apanel, alreadyMapped); + return true; + } + + void setChainMenuItems(List chainNames) + { + chainMenu.removeAll(); + if (chainNames == null || chainNames.isEmpty()) + { + return; + } + JMenuItem menuItem = new JMenuItem( + MessageManager.getString("label.all")); + menuItem.addActionListener(new ActionListener() + { + @Override + public void actionPerformed(ActionEvent evt) + { + allChainsSelected = true; + for (int i = 0; i < chainMenu.getItemCount(); i++) + { + if (chainMenu.getItem(i) instanceof JCheckBoxMenuItem) + { + ((JCheckBoxMenuItem) chainMenu.getItem(i)).setSelected(true); + } + } + showSelectedChains(); + allChainsSelected = false; + } + }); + + chainMenu.add(menuItem); + + for (String chain : chainNames) + { + menuItem = new JCheckBoxMenuItem(chain, true); + menuItem.addItemListener(new ItemListener() + { + @Override + public void itemStateChanged(ItemEvent evt) + { + if (!allChainsSelected) + { + showSelectedChains(); + } + } + }); + + chainMenu.add(menuItem); + } + } + + abstract void showSelectedChains(); + + /** + * Action on selecting one of Jalview's registered colour schemes + */ + @Override + public void changeColour_actionPerformed(String colourSchemeName) + { + AlignmentI al = getAlignmentPanel().av.getAlignment(); + ColourSchemeI cs = ColourSchemes.getInstance() + .getColourScheme(colourSchemeName, getAlignmentPanel().av, al, + null); + getBinding().setJalviewColourScheme(cs); + } + + /** + * Builds the colour menu + */ + protected void buildColourMenu() + { + colourMenu.removeAll(); + AlignmentI al = getAlignmentPanel().av.getAlignment(); + + /* + * add colour by sequence, by chain, by charge and cysteine + */ + colourMenu.add(seqColour); + colourMenu.add(chainColour); + colourMenu.add(chargeColour); + chargeColour.setEnabled(!al.isNucleotide()); + + /* + * add all 'simple' (per-residue) colour schemes registered to Jalview + */ + ButtonGroup itemGroup = ColourMenuHelper.addMenuItems(colourMenu, this, + al, true); + + /* + * add 'colour by viewer' (menu item text is set in subclasses) + */ + viewerColour.setSelected(false); + viewerColour.addActionListener(new ActionListener() + { + @Override + public void actionPerformed(ActionEvent actionEvent) + { + viewerColour_actionPerformed(actionEvent); + } + }); + colourMenu.add(viewerColour); + + /* + * add 'set background colour' + */ + JMenuItem backGround = new JMenuItem(); + backGround + .setText(MessageManager.getString("action.background_colour")); + backGround.addActionListener(new ActionListener() + { + @Override + public void actionPerformed(ActionEvent actionEvent) + { + background_actionPerformed(actionEvent); + } + }); + colourMenu.add(backGround); + + /* + * add colour buttons to a group so their selection is + * mutually exclusive (background colour is a separate option) + */ + itemGroup.add(seqColour); + itemGroup.add(chainColour); + itemGroup.add(chargeColour); + itemGroup.add(viewerColour); + } + + /** + * Construct menu items + */ + protected void initMenus() + { + AAStructureBindingModel binding = getBinding(); + + seqColour = new JRadioButtonMenuItem(); + seqColour.setText(MessageManager.getString("action.by_sequence")); + seqColour.setName(ViewerColour.BySequence.name()); + seqColour.setSelected(binding.isColourBySequence()); + seqColour.addActionListener(new ActionListener() + { + @Override + public void actionPerformed(ActionEvent actionEvent) + { + seqColour_actionPerformed(actionEvent); + } + }); + + chainColour = new JRadioButtonMenuItem(); + chainColour.setText(MessageManager.getString("action.by_chain")); + chainColour.setName(ViewerColour.ByChain.name()); + chainColour.addActionListener(new ActionListener() + { + @Override + public void actionPerformed(ActionEvent actionEvent) + { + chainColour_actionPerformed(actionEvent); + } + }); + + chargeColour = new JRadioButtonMenuItem(); + chargeColour.setText(MessageManager.getString("label.charge_cysteine")); + chargeColour.setName(ViewerColour.ChargeCysteine.name()); + chargeColour.addActionListener(new ActionListener() + { + @Override + public void actionPerformed(ActionEvent actionEvent) + { + chargeColour_actionPerformed(actionEvent); + } + }); + + viewerColour = new JRadioButtonMenuItem(); + // text is set in overrides of this method + viewerColour.setName(ViewerColour.ByViewer.name()); + viewerColour.setSelected(!binding.isColourBySequence()); + + if (_colourwith == null) + { + _colourwith = new Vector<>(); + } + if (_alignwith == null) + { + _alignwith = new Vector<>(); + } + + ViewSelectionMenu seqColourBy = new ViewSelectionMenu( + MessageManager.getString("label.colour_by"), this, _colourwith, + new ItemListener() + { + @Override + public void itemStateChanged(ItemEvent e) + { + if (!seqColour.isSelected()) + { + seqColour.doClick(); + } + else + { + // update the Chimera display now. + seqColour_actionPerformed(null); + } + } + }); + viewMenu.add(seqColourBy); + + final ItemListener handler = new ItemListener() + { + @Override + public void itemStateChanged(ItemEvent e) + { + alignStructs.setEnabled(!_alignwith.isEmpty()); + alignStructs.setToolTipText(MessageManager.formatMessage( + "label.align_structures_using_linked_alignment_views", + _alignwith.size())); + } + }; + viewSelectionMenu = new ViewSelectionMenu( + MessageManager.getString("label.superpose_with"), this, + _alignwith, handler); + handler.itemStateChanged(null); + viewerActionMenu.add(viewSelectionMenu, 0); + viewerActionMenu.addMenuListener(new MenuListener() + { + @Override + public void menuSelected(MenuEvent e) + { + handler.itemStateChanged(null); + } + + @Override + public void menuDeselected(MenuEvent e) + { + } + + @Override + public void menuCanceled(MenuEvent e) + { + } + }); + + buildColourMenu(); + } + + @Override + public void setJalviewColourScheme(ColourSchemeI cs) + { + getBinding().setJalviewColourScheme(cs); + } + + /** + * Sends commands to the structure viewer to superimpose structures based on + * currently associated alignments. May optionally return an error message for + * the operation. + */ + @Override + protected String alignStructs_actionPerformed(ActionEvent actionEvent) + { + return alignStructs_withAllAlignPanels(); + } + + protected String alignStructs_withAllAlignPanels() + { + if (getAlignmentPanel() == null) + { + return null; + } + + if (_alignwith.size() == 0) + { + _alignwith.add(getAlignmentPanel()); + } + + String reply = null; + try + { + AlignmentI[] als = new Alignment[_alignwith.size()]; + HiddenColumns[] alc = new HiddenColumns[_alignwith.size()]; + int[] alm = new int[_alignwith.size()]; + int a = 0; + + for (AlignmentPanel alignPanel : _alignwith) + { + als[a] = alignPanel.av.getAlignment(); + alm[a] = -1; + alc[a++] = alignPanel.av.getAlignment().getHiddenColumns(); + } + reply = getBinding().superposeStructures(als, alm, alc); + if (reply != null) + { + String text = MessageManager + .formatMessage("error.superposition_failed", reply); + statusBar.setText(text); + } + } catch (Exception e) + { + StringBuffer sp = new StringBuffer(); + for (AlignmentPanel alignPanel : _alignwith) + { + sp.append("'" + alignPanel.alignFrame.getTitle() + "' "); + } + Cache.log.info("Couldn't align structures with the " + sp.toString() + + "associated alignment panels.", e); + } + return reply; + } + + /** + * Opens a colour chooser dialog, and applies the chosen colour to the + * background of the structure viewer + */ + @Override + public void background_actionPerformed(ActionEvent actionEvent) + { + String ttl = MessageManager.getString("label.select_background_colour"); + ColourChooserListener listener = new ColourChooserListener() + { + @Override + public void colourSelected(Color c) + { + getBinding().setBackgroundColour(c); + } + }; + JalviewColourChooser.showColourChooser(this, ttl, null, listener); + } + + @Override + public void viewerColour_actionPerformed(ActionEvent actionEvent) + { + if (viewerColour.isSelected()) + { + // disable automatic sequence colouring. + getBinding().setColourBySequence(false); + } + } + + @Override + public void chainColour_actionPerformed(ActionEvent actionEvent) + { + chainColour.setSelected(true); + getBinding().colourByChain(); + } + + @Override + public void chargeColour_actionPerformed(ActionEvent actionEvent) + { + chargeColour.setSelected(true); + getBinding().colourByCharge(); + } + + @Override + public void seqColour_actionPerformed(ActionEvent actionEvent) + { + AAStructureBindingModel binding = getBinding(); + binding.setColourBySequence(seqColour.isSelected()); + if (_colourwith == null) + { + _colourwith = new Vector<>(); + } + if (binding.isColourBySequence()) + { + if (!binding.isLoadingFromArchive()) + { + if (_colourwith.size() == 0 && getAlignmentPanel() != null) + { + // Make the currently displayed alignment panel the associated view + _colourwith.add(getAlignmentPanel().alignFrame.alignPanel); + } + } + // Set the colour using the current view for the associated alignframe + for (AlignmentPanel alignPanel : _colourwith) + { + binding.colourBySequence(alignPanel); + } + seqColoursApplied = true; + } + } + + @Override + public void pdbFile_actionPerformed(ActionEvent actionEvent) + { + // TODO: JAL-3048 not needed for Jalview-JS - save PDB file + JalviewFileChooser chooser = new JalviewFileChooser( + Cache.getProperty("LAST_DIRECTORY")); + + chooser.setFileView(new JalviewFileView()); + chooser.setDialogTitle(MessageManager.getString("label.save_pdb_file")); + chooser.setToolTipText(MessageManager.getString("action.save")); + + int value = chooser.showSaveDialog(this); + + if (value == JalviewFileChooser.APPROVE_OPTION) + { + BufferedReader in = null; + try + { + // TODO: cope with multiple PDB files in view + in = new BufferedReader( + new FileReader(getBinding().getStructureFiles()[0])); + File outFile = chooser.getSelectedFile(); + + PrintWriter out = new PrintWriter(new FileOutputStream(outFile)); + String data; + while ((data = in.readLine()) != null) + { + if (!(data.indexOf("
") > -1 || data.indexOf("
") > -1)) + { + out.println(data); + } + } + out.close(); + } catch (Exception ex) + { + ex.printStackTrace(); + } finally + { + if (in != null) + { + try + { + in.close(); + } catch (IOException e) + { + // ignore + } + } + } + } + } + + @Override + public void viewMapping_actionPerformed(ActionEvent actionEvent) + { + CutAndPasteTransfer cap = new CutAndPasteTransfer(); + try + { + cap.appendText(getBinding().printMappings()); + } catch (OutOfMemoryError e) + { + new OOMWarning( + "composing sequence-structure alignments for display in text box.", + e); + cap.dispose(); + return; + } + Desktop.addInternalFrame(cap, + MessageManager.getString("label.pdb_sequence_mapping"), 550, + 600); + } + + protected abstract String getViewerName(); + + /** + * Configures the title and menu items of the viewer panel. + */ + @Override + public void updateTitleAndMenus() + { + AAStructureBindingModel binding = getBinding(); + if (binding.hasFileLoadingError()) + { + repaint(); + return; + } + setChainMenuItems(binding.getChainNames()); + + this.setTitle(binding.getViewerTitle(getViewerName(), true)); + + /* + * enable 'Superpose with' if more than one mapped structure + */ + viewSelectionMenu.setEnabled(false); + if (getBinding().getStructureFiles().length > 1 + && getBinding().getSequence().length > 1) + { + viewSelectionMenu.setEnabled(true); + } + + /* + * Show action menu if it has any enabled items + */ + viewerActionMenu.setVisible(false); + for (int i = 0; i < viewerActionMenu.getItemCount(); i++) + { + if (viewerActionMenu.getItem(i).isEnabled()) + { + viewerActionMenu.setVisible(true); + break; + } + } + + if (!binding.isLoadingFromArchive()) + { + seqColour_actionPerformed(null); + } + } + + @Override + public String toString() + { + return getTitle(); + } + + @Override + public boolean hasMapping() + { + if (worker != null && (addingStructures || _started)) + { + return false; + } + if (getBinding() == null) + { + if (_aps == null || _aps.size() == 0) + { + // viewer has been closed, but we did at some point run. + return true; + } + return false; + } + String[] pdbids = getBinding().getStructureFiles(); + if (pdbids == null) + { + return false; + } + int p=0; + for (String pdbid:pdbids) { + StructureMapping sm[] = getBinding().getSsm().getMapping(pdbid); + if (sm!=null && sm.length>0 && sm[0]!=null) { + p++; + } + } + // only return true if there is a mapping for every structure file we have loaded + if (p == 0 || p != pdbids.length) + { + return false; + } + // and that coloring has been applied + return seqColoursApplied; + } + + @Override + public void raiseViewer() + { + toFront(); + } + }