X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fappletgui%2FAppletJmol.java;h=3d1442d5ac1952ca7a536f8bd23f0f49a9d620a7;hb=75db7abd6c89a9465861dc7604faca4893c52101;hp=fb15c8253e57fd50706a67d52be19cae61f67b2a;hpb=b32b824388dea3107cd1598d63f8759f00b75e1f;p=jalview.git diff --git a/src/jalview/appletgui/AppletJmol.java b/src/jalview/appletgui/AppletJmol.java index fb15c82..3d1442d 100644 --- a/src/jalview/appletgui/AppletJmol.java +++ b/src/jalview/appletgui/AppletJmol.java @@ -1,78 +1,128 @@ /* - * Jalview - A Sequence Alignment Editor and Viewer (Version 2.5) - * Copyright (C) 2010 J Procter, AM Waterhouse, G Barton, M Clamp, S Searle + * 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. - * + * 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 . + * 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.appletgui; -import java.util.*; -import java.awt.*; -import java.awt.event.*; - -import jalview.api.SequenceStructureBinding; -import jalview.datamodel.*; -import jalview.structure.*; -import jalview.io.*; - -import org.jmol.api.*; +import jalview.bin.JalviewLite; +import jalview.datamodel.AlignmentI; +import jalview.datamodel.PDBEntry; +import jalview.datamodel.SequenceI; +import jalview.io.DataSourceType; +import jalview.io.FileParse; +import jalview.io.StructureFile; +import jalview.schemes.BuriedColourScheme; +import jalview.schemes.HelixColourScheme; +import jalview.schemes.HydrophobicColourScheme; +import jalview.schemes.PurinePyrimidineColourScheme; +import jalview.schemes.StrandColourScheme; +import jalview.schemes.TaylorColourScheme; +import jalview.schemes.TurnColourScheme; +import jalview.schemes.UserColourScheme; +import jalview.schemes.ZappoColourScheme; +import jalview.structure.StructureSelectionManager; +import jalview.util.MessageManager; + +import java.awt.BorderLayout; +import java.awt.CheckboxMenuItem; +import java.awt.Color; +import java.awt.Dimension; +import java.awt.Font; +import java.awt.Frame; +import java.awt.Graphics; +import java.awt.Menu; +import java.awt.MenuBar; +import java.awt.MenuItem; +import java.awt.Panel; +import java.awt.TextArea; +import java.awt.TextField; +import java.awt.event.ActionEvent; +import java.awt.event.ActionListener; +import java.awt.event.ItemEvent; +import java.awt.event.ItemListener; +import java.awt.event.KeyEvent; +import java.awt.event.KeyListener; +import java.awt.event.WindowAdapter; +import java.awt.event.WindowEvent; +import java.util.ArrayList; +import java.util.List; +import java.util.Vector; + +public class AppletJmol extends EmbmenuFrame implements + // StructureListener, + KeyListener, ActionListener, ItemListener -import org.jmol.popup.*; -import org.jmol.viewer.JmolConstants; - -import jalview.schemes.*; +{ + Menu fileMenu = new Menu(MessageManager.getString("action.file")); -public class AppletJmol extends EmbmenuFrame implements -// StructureListener, - KeyListener, ActionListener, ItemListener, SequenceStructureBinding + Menu viewMenu = new Menu(MessageManager.getString("action.view")); -{ - Menu fileMenu = new Menu("File"); + Menu coloursMenu = new Menu(MessageManager.getString("action.colour")); - Menu viewMenu = new Menu("View"); + Menu chainMenu = new Menu(MessageManager.getString("action.show_chain")); - Menu coloursMenu = new Menu("Colours"); + Menu helpMenu = new Menu(MessageManager.getString("action.help")); - Menu chainMenu = new Menu("Show Chain"); + MenuItem mappingMenuItem = new MenuItem( + MessageManager.getString("label.view_mapping")); - Menu helpMenu = new Menu("Help"); + CheckboxMenuItem seqColour = new CheckboxMenuItem( + MessageManager.getString("action.by_sequence"), true); - MenuItem mappingMenuItem = new MenuItem("View Mapping"); + CheckboxMenuItem jmolColour = new CheckboxMenuItem( + MessageManager.getString("action.using_jmol"), false); - CheckboxMenuItem seqColour = new CheckboxMenuItem("By Sequence", true); + MenuItem chain = new MenuItem( + MessageManager.getString("action.by_chain")); - MenuItem chain = new MenuItem("By Chain"); + MenuItem charge = new MenuItem( + MessageManager.getString("label.charge_cysteine")); - MenuItem charge = new MenuItem("Charge & Cysteine"); + MenuItem zappo = new MenuItem( + MessageManager.getString("label.colourScheme_zappo")); - MenuItem zappo = new MenuItem("Zappo"); + MenuItem taylor = new MenuItem( + MessageManager.getString("label.colourScheme_taylor")); - MenuItem taylor = new MenuItem("Taylor"); + MenuItem hydro = new MenuItem( + MessageManager.getString("label.colourScheme_hydrophobic")); - MenuItem hydro = new MenuItem("Hydrophobicity"); + MenuItem helix = new MenuItem( + MessageManager.getString("label.colourScheme_helix_propensity")); - MenuItem helix = new MenuItem("Helix Propensity"); + MenuItem strand = new MenuItem( + MessageManager.getString("label.colourScheme_strand_propensity")); - MenuItem strand = new MenuItem("Strand Propensity"); + MenuItem turn = new MenuItem( + MessageManager.getString("label.colourScheme_turn_propensity")); - MenuItem turn = new MenuItem("Turn Propensity"); + MenuItem buried = new MenuItem( + MessageManager.getString("label.colourScheme_buried_index")); - MenuItem buried = new MenuItem("Buried Index"); + MenuItem purinepyrimidine = new MenuItem( + MessageManager.getString("label.colourScheme_purine/pyrimidine")); - MenuItem user = new MenuItem("User Defined Colours"); + MenuItem user = new MenuItem( + MessageManager.getString("label.user_defined_colours")); - MenuItem jmolHelp = new MenuItem("Jmol Help"); + MenuItem jmolHelp = new MenuItem( + MessageManager.getString("label.jmol_help")); Panel scriptWindow; @@ -84,6 +134,9 @@ public class AppletJmol extends EmbmenuFrame implements AlignmentPanel ap; + List _aps = new ArrayList<>(); // remove? never + // added to + String fileLoadingError; boolean loadedInline; @@ -99,19 +152,46 @@ public class AppletJmol extends EmbmenuFrame implements */ String protocol = null; + /** + * Load a bunch of pdb entries associated with sequences in the alignment and + * display them - aligning them if necessary. + * + * @param pdbentries + * each pdb file (at least one needed) + * @param boundseqs + * each set of sequences for each pdb file (must match number of pdb + * files) + * @param boundchains + * the target pdb chain corresponding with each sequence associated + * with each pdb file (may be null at any level) + * @param align + * true/false + * @param ap + * associated alignment + * @param protocol + * how to get pdb data + */ + public AppletJmol(PDBEntry[] pdbentries, SequenceI[][] boundseqs, + String[][] boundchains, boolean align, AlignmentPanel ap, + String protocol) + { + throw new Error(MessageManager.getString("error.not_yet_implemented")); + } + public AppletJmol(PDBEntry pdbentry, SequenceI[] seq, String[] chains, - AlignmentPanel ap, String protocol) + AlignmentPanel ap, DataSourceType protocol) { this.ap = ap; - jmb = new AppletJmolBinding(this, new PDBEntry[] - { pdbentry }, seq, chains, protocol); + jmb = new AppletJmolBinding(this, ap.getStructureSelectionManager(), + new PDBEntry[] + { pdbentry }, new SequenceI[][] { seq }, protocol); jmb.setColourBySequence(true); if (pdbentry.getId() == null || pdbentry.getId().length() < 1) { - if (protocol.equals(AppletFormatAdapter.PASTE)) + if (protocol == DataSourceType.PASTE) { - pdbentry.setId("PASTED PDB" - + (chains == null ? "_" : chains.toString())); + pdbentry.setId( + "PASTED PDB" + (chains == null ? "_" : chains.toString())); } else { @@ -119,20 +199,21 @@ public class AppletJmol extends EmbmenuFrame implements } } - if (jalview.bin.JalviewLite.debug) + if (JalviewLite.debug) { System.err .println("AppletJmol: PDB ID is '" + pdbentry.getId() + "'"); } String alreadyMapped = StructureSelectionManager - .getStructureSelectionManager().alreadyMappedToFile( - pdbentry.getId()); - MCview.PDBfile reader = null; + .getStructureSelectionManager(ap.av.applet) + .alreadyMappedToFile(pdbentry.getId()); + StructureFile reader = null; if (alreadyMapped != null) { - reader = StructureSelectionManager.getStructureSelectionManager() - .setMapping(seq, chains, pdbentry.getFile(), protocol); + reader = StructureSelectionManager + .getStructureSelectionManager(ap.av.applet) + .setMapping(seq, chains, pdbentry.getFile(), protocol, null); // PROMPT USER HERE TO ADD TO NEW OR EXISTING VIEW? // FOR NOW, LETS JUST OPEN A NEW WINDOW } @@ -149,12 +230,14 @@ public class AppletJmol extends EmbmenuFrame implements hydro.addActionListener(this); chain.addActionListener(this); seqColour.addItemListener(this); + jmolColour.addItemListener(this); zappo.addActionListener(this); taylor.addActionListener(this); helix.addActionListener(this); strand.addActionListener(this); turn.addActionListener(this); buried.addActionListener(this); + purinepyrimidine.addActionListener(this); user.addActionListener(this); jmolHelp.addActionListener(this); @@ -169,37 +252,60 @@ public class AppletJmol extends EmbmenuFrame implements coloursMenu.add(strand); coloursMenu.add(turn); coloursMenu.add(buried); + coloursMenu.add(purinepyrimidine); coloursMenu.add(user); - + coloursMenu.add(jmolColour); helpMenu.add(jmolHelp); + this.setLayout(new BorderLayout()); setMenuBar(menuBar); renderPanel = new RenderPanel(); embedMenuIfNeeded(renderPanel); this.add(renderPanel, BorderLayout.CENTER); - jmb.allocateViewer(renderPanel, - "jalviewJmol", ap.av.applet.getDocumentBase(), ap.av.applet - .getCodeBase(), ""); - jmb.newJmolPopup(true, "Jmol", true); + scriptWindow = new Panel(); + scriptWindow.setVisible(false); + // this.add(scriptWindow, BorderLayout.SOUTH); + + try + { + jmb.allocateViewer(renderPanel, true, + ap.av.applet.getName() + "_jmol_", + ap.av.applet.getDocumentBase(), ap.av.applet.getCodeBase(), + "-applet", scriptWindow, null); + } catch (Exception e) + { + System.err.println( + "Couldn't create a jmol viewer. Args to allocate viewer were:\nDocumentBase=" + + ap.av.applet.getDocumentBase() + "\nCodebase=" + + ap.av.applet.getCodeBase()); + e.printStackTrace(); + dispose(); + return; + } + // jmb.newJmolPopup(true, "Jmol", true); this.addWindowListener(new WindowAdapter() { + @Override public void windowClosing(WindowEvent evt) { closeViewer(); } }); - + pdbentry.setProperty("protocol", protocol); if (pdbentry.getFile() != null) + { // import structure data from pdbentry.getFile based on given protocol - if (protocol.equals(AppletFormatAdapter.PASTE)) + if (protocol == DataSourceType.PASTE) { + // TODO: JAL-623 : correctly record file contents for matching up later + // pdbentry.getProperty().put("pdbfilehash",""+pdbentry.getFile().hashCode()); loadInline(pdbentry.getFile()); } - else if (protocol.equals(AppletFormatAdapter.FILE) - || protocol.equals(AppletFormatAdapter.URL)) + else if (protocol == DataSourceType.FILE + || protocol == DataSourceType.URL) { jmb.viewer.openFile(pdbentry.getFile()); } @@ -214,8 +320,8 @@ public class AppletJmol extends EmbmenuFrame implements { if (jalview.bin.JalviewLite.debug) { - System.err - .println("AppletJmol:Trying to reuse existing PDBfile IO parser."); + System.err.println( + "AppletJmol:Trying to reuse existing PDBfile IO parser."); } // re-use the one we opened earlier freader = reader.getReader(); @@ -224,8 +330,8 @@ public class AppletJmol extends EmbmenuFrame implements { if (jalview.bin.JalviewLite.debug) { - System.err - .println("AppletJmol:Creating new PDBfile IO parser."); + System.err.println( + "AppletJmol:Creating new PDBfile IO parser."); } FileParse fp = new FileParse(pdbentry.getFile(), protocol); fp.mark(); @@ -241,10 +347,11 @@ public class AppletJmol extends EmbmenuFrame implements } if (freader == null) { - throw new Exception( - "Invalid datasource. Could not obtain Reader."); + throw new Exception(MessageManager.getString( + "exception.invalid_datasource_couldnt_obtain_reader")); } - jmb.viewer.openReader(pdbentry.getFile(), pdbentry.getId(), freader); + jmb.viewer.openReader(pdbentry.getFile(), pdbentry.getId(), + freader); } catch (Exception e) { // give up! @@ -259,44 +366,25 @@ public class AppletJmol extends EmbmenuFrame implements jalview.bin.JalviewLite.addFrame(this, jmb.getViewerTitle(), 400, 400); } - /** - * create a new binding between structures in an existing jmol viewer instance - * and an alignpanel with sequences that have existing PDBFile entries. Note, - * this does not open a new Jmol window, or modify the display of the - * structures in the original jmol window. - * - * @param viewer2 - * @param alignPanel - * @param seqs - * - sequences to search for associations - */ - public AppletJmol(JmolViewer viewer2, AlignmentPanel alignPanel, - SequenceI[] seqs) - { - - // TODO Auto-generated constructor stub - } - public void loadInline(String string) { loadedInline = true; - jmb.viewer.openStringInline(string); + jmb.loadInline(string); } - void setChainMenuItems(Vector chains) + void setChainMenuItems(List chains) { chainMenu.removeAll(); - MenuItem menuItem = new MenuItem("All"); + MenuItem menuItem = new MenuItem(MessageManager.getString("label.all")); menuItem.addActionListener(this); chainMenu.add(menuItem); CheckboxMenuItem menuItemCB; - for (int c = 0; c < chains.size(); c++) + for (String ch : chains) { - menuItemCB = new CheckboxMenuItem(chains.elementAt(c).toString(), - true); + menuItemCB = new CheckboxMenuItem(ch, true); menuItemCB.addItemListener(this); chainMenu.add(menuItemCB); } @@ -306,9 +394,7 @@ public class AppletJmol extends EmbmenuFrame implements void centerViewer() { - Vector toshow = new Vector(); - String lbl; - int mlength, p, mnum; + Vector toshow = new Vector<>(); for (int i = 0; i < chainMenu.getItemCount(); i++) { if (chainMenu.getItem(i) instanceof CheckboxMenuItem) @@ -330,6 +416,7 @@ public class AppletJmol extends EmbmenuFrame implements this.setVisible(false); } + @Override public void actionPerformed(ActionEvent evt) { if (evt.getSource() == mappingMenuItem) @@ -339,15 +426,20 @@ public class AppletJmol extends EmbmenuFrame implements Frame frame = new Frame(); frame.add(cap); - jalview.bin.JalviewLite.addFrame(frame, "PDB - Sequence Mapping", - 550, 600); StringBuffer sb = new StringBuffer(); - for (int s = 0; s < jmb.pdbentry.length; s++) + try { - sb.append(StructureSelectionManager.getStructureSelectionManager() - .printMapping(jmb.pdbentry[s].getFile())); - sb.append("\n"); + cap.setText(jmb.printMappings()); + } catch (OutOfMemoryError ex) + { + frame.dispose(); + System.err.println( + "Out of memory when trying to create dialog box with sequence-structure mapping."); + return; } + jalview.bin.JalviewLite.addFrame(frame, + MessageManager.getString("label.pdb_sequence_mapping"), 550, + 600); } else if (evt.getSource() == charge) { @@ -395,6 +487,10 @@ public class AppletJmol extends EmbmenuFrame implements setEnabled(buried); jmb.setJalviewColourScheme(new BuriedColourScheme()); } + else if (evt.getSource() == purinepyrimidine) + { + jmb.setJalviewColourScheme(new PurinePyrimidineColourScheme()); + } else if (evt.getSource() == user) { setEnabled(user); @@ -404,10 +500,10 @@ public class AppletJmol extends EmbmenuFrame implements { try { - ap.av.applet.getAppletContext().showDocument( - new java.net.URL( + ap.av.applet.getAppletContext() + .showDocument(new java.net.URL( "http://jmol.sourceforge.net/docs/JmolUserGuide/"), - "jmolHelp"); + "jmolHelp"); } catch (java.net.MalformedURLException ex) { } @@ -418,7 +514,9 @@ public class AppletJmol extends EmbmenuFrame implements for (int i = 0; i < chainMenu.getItemCount(); i++) { if (chainMenu.getItem(i) instanceof CheckboxMenuItem) + { ((CheckboxMenuItem) chainMenu.getItem(i)).setState(true); + } } centerViewer(); @@ -427,62 +525,74 @@ public class AppletJmol extends EmbmenuFrame implements } /** - * tick or untick the seqColour menu entry depending upon if it was selected or not. + * tick or untick the seqColour menu entry or jmoColour entry depending upon + * if it was selected or not. + * * @param itm */ private void setEnabled(MenuItem itm) { - seqColour.setState(itm==seqColour); - jmb.setColourBySequence(itm==seqColour); + jmolColour.setState(itm == jmolColour); + seqColour.setState(itm == seqColour); + jmb.setColourBySequence(itm == seqColour); } + @Override public void itemStateChanged(ItemEvent evt) { - if (evt.getSource() == seqColour) + if (evt.getSource() == jmolColour) + { + setEnabled(jmolColour); + jmb.setColourBySequence(false); + } + else if (evt.getSource() == seqColour) { setEnabled(seqColour); - jmb - .colourBySequence(ap.av.getShowSequenceFeatures(), - ap.av.alignment); + jmb.colourBySequence(ap); } else if (!allChainsSelected) + { centerViewer(); + } } + @Override public void keyPressed(KeyEvent evt) { if (evt.getKeyCode() == KeyEvent.VK_ENTER && scriptWindow.isVisible()) { jmb.eval(inputLine.getText()); - history.append("\n$ " + inputLine.getText()); + addToHistory("$ " + inputLine.getText()); inputLine.setText(""); } } + @Override public void keyTyped(KeyEvent evt) { } + @Override public void keyReleased(KeyEvent evt) { } public void updateColours(Object source) { - AlignmentPanel ap = (AlignmentPanel) source; - jmb.colourBySequence(ap.av.getShowSequenceFeatures(), ap.av.alignment); + AlignmentPanel panel = (AlignmentPanel) source; + jmb.colourBySequence(panel); } public void updateTitleAndMenus() { - if (jmb.fileLoadingError != null && jmb.fileLoadingError.length() > 0) + if (jmb.hasFileLoadingError()) { repaint(); return; } - setChainMenuItems(jmb.chainNames); - jmb.colourBySequence(ap.av.getShowSequenceFeatures(), ap.av.alignment); + setChainMenuItems(jmb.getChainNames()); + jmb.colourBySequence(ap); setTitle(jmb.getViewerTitle()); } @@ -498,22 +608,30 @@ public class AppletJmol extends EmbmenuFrame implements } } + Panel splitPane = null; + public void showConsole(boolean showConsole) { - if (scriptWindow == null) - { - scriptWindow = new Panel(new BorderLayout()); - inputLine = new TextField(); - history = new TextArea(5, 40); - scriptWindow.add(history, BorderLayout.CENTER); - scriptWindow.add(inputLine, BorderLayout.SOUTH); - add(scriptWindow, BorderLayout.SOUTH); + if (showConsole) + { + remove(renderPanel); + splitPane = new Panel(); + + splitPane.setLayout(new java.awt.GridLayout(2, 1)); + splitPane.add(renderPanel); + splitPane.add(scriptWindow); + scriptWindow.setVisible(true); + this.add(splitPane, BorderLayout.CENTER); + splitPane.setVisible(true); + splitPane.validate(); + } + else + { scriptWindow.setVisible(false); - history.setEditable(false); - inputLine.addKeyListener(this); + remove(splitPane); + add(renderPanel, BorderLayout.CENTER); + splitPane = null; } - - scriptWindow.setVisible(!scriptWindow.isVisible()); validate(); } @@ -529,17 +647,16 @@ public class AppletJmol extends EmbmenuFrame implements { Dimension currentSize = new Dimension(); - Rectangle rectClip = new Rectangle(); - + @Override public void update(Graphics g) { paint(g); } + @Override public void paint(Graphics g) { currentSize = this.getSize(); - rectClip = g.getClipBounds(); if (jmb.viewer == null) { @@ -547,45 +664,63 @@ public class AppletJmol extends EmbmenuFrame implements g.fillRect(0, 0, currentSize.width, currentSize.height); g.setColor(Color.white); g.setFont(new Font("Verdana", Font.BOLD, 14)); - g.drawString("Retrieving PDB data....", 20, currentSize.height / 2); + g.drawString(MessageManager.getString("label.retrieving_pdb_data"), + 20, currentSize.height / 2); } else { - jmb.viewer.renderScreenImage(g, currentSize, rectClip); + jmb.viewer.renderScreenImage(g, currentSize.width, + currentSize.height); } } } -/* - @Override - public Color getColour(int atomIndex, int pdbResNum, String chain, - String pdbId) - { - return jmb.getColour(atomIndex, pdbResNum, chain, pdbId); - } - @Override - public String[] getPdbFile() + /* + * @Override public Color getColour(int atomIndex, int pdbResNum, String + * chain, String pdbId) { return jmb.getColour(atomIndex, pdbResNum, chain, + * pdbId); } + * + * @Override public String[] getPdbFile() { return jmb.getPdbFile(); } + * + * @Override public void highlightAtom(int atomIndex, int pdbResNum, String + * chain, String pdbId) { jmb.highlightAtom(atomIndex, pdbResNum, chain, + * pdbId); + * + * } + * + * @Override public void mouseOverStructure(int atomIndex, String strInfo) { + * jmb.mouseOverStructure(atomIndex, strInfo); + * + * } + */ + public void setJalviewColourScheme(UserColourScheme ucs) { - return jmb.getPdbFile(); + jmb.setJalviewColourScheme(ucs); } - @Override - public void highlightAtom(int atomIndex, int pdbResNum, String chain, - String pdbId) + public AlignmentPanel getAlignmentPanelFor(AlignmentI alignment) { - jmb.highlightAtom(atomIndex, pdbResNum, chain, pdbId); - + for (int i = 0; i < _aps.size(); i++) + { + if (_aps.get(i).av.getAlignment() == alignment) + { + return (_aps.get(i)); + } + } + return ap; } - @Override - public void mouseOverStructure(int atomIndex, String strInfo) - { - jmb.mouseOverStructure(atomIndex, strInfo); - - } -*/ - public void setJalviewColourScheme(UserColourScheme ucs) + /** + * Append the given text to the history object + * + * @param text + */ + public void addToHistory(String text) { - jmb.setJalviewColourScheme(ucs); + // actually currently never initialised + if (history != null) + { + history.append("\n" + text); + } } }