X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;ds=sidebyside;f=src%2Fjalview%2Fext%2Fjmol%2FJalviewJmolBinding.java;h=93a56334ec0176d7e5506fb10595ad5ddeeb76ec;hb=HEAD;hp=5905d9a5a667e35f4138ea7a0471fff6288c672b;hpb=1ec15c3a0b7731c7946f16608f482e66c43857f8;p=jalview.git diff --git a/src/jalview/ext/jmol/JalviewJmolBinding.java b/src/jalview/ext/jmol/JalviewJmolBinding.java index 5905d9a..93a5633 100644 --- a/src/jalview/ext/jmol/JalviewJmolBinding.java +++ b/src/jalview/ext/jmol/JalviewJmolBinding.java @@ -20,18 +20,21 @@ */ package jalview.ext.jmol; -import java.awt.Color; import java.awt.Container; import java.awt.event.ComponentEvent; import java.awt.event.ComponentListener; import java.io.File; import java.net.URL; import java.util.ArrayList; +import java.util.Arrays; +import java.util.HashMap; import java.util.List; import java.util.Map; import java.util.StringTokenizer; import java.util.Vector; +import javax.swing.SwingUtilities; + import org.jmol.adapter.smarter.SmarterJmolAdapter; import org.jmol.api.JmolAppConsoleInterface; import org.jmol.api.JmolSelectionListener; @@ -44,7 +47,7 @@ import jalview.api.AlignmentViewPanel; import jalview.api.FeatureRenderer; import jalview.api.FeatureSettingsModelI; import jalview.api.SequenceRenderer; -import jalview.bin.Cache; +import jalview.bin.Console; import jalview.datamodel.PDBEntry; import jalview.datamodel.SequenceI; import jalview.gui.AppJmol; @@ -90,8 +93,8 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel setStructureCommands(new JmolCommands()); /* * viewer = JmolViewer.allocateViewer(renderPanel, new SmarterJmolAdapter(), - * "jalviewJmol", ap.av.applet .getDocumentBase(), - * ap.av.applet.getCodeBase(), "", this); + * "jalviewJmol", ap.av.applet .getDocumentBase(), ap.av.applet.getCodeBase(), + * "", this); * * jmolpopup = JmolPopup.newJmolPopup(viewer, true, "Jmol", true); */ @@ -121,9 +124,22 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel private String jmolScript(String script) { - Cache.log.debug(">>Jmol>> " + script); - String s = jmolViewer.evalStringQuiet(script); // scriptWait(script); BH - Cache.log.debug("<>Jmol>> " + script); + String s; + if (useScriptWait) + { + s = jmolViewer.scriptWait(script); + } + else + { + s = jmolViewer.evalStringQuiet(script); // scriptWait(script); BH + } + Console.debug("< getHetatmNames() + { + HashMap hetlist = new HashMap(); + for (int mc = 0; mc < jmolViewer.ms.mc; mc++) + { + Map hets = jmolViewer.ms.getHeteroList(mc); + if (hets != null) + { + hetlist.putAll(hets); + } + } + return hetlist; + } + // + //////////////////////////// + @Override public float[][] functionXY(String functionName, int x, int y) { @@ -208,8 +245,8 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel for (int i = 0; i < modelCount; ++i) { /* - * defensive check for null as getModelFileName can return null - * even when model count ms.mc is > 0 + * defensive check for null as getModelFileName can return null even when model + * count ms.mc is > 0 */ filePath = jmolViewer.ms.getModelFileName(i); if (filePath != null && !mset.contains(filePath)) @@ -258,26 +295,66 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel jmolScript(resetLastRes.toString()); resetLastRes.setLength(0); } + StringBuilder highlightCommands = null; for (AtomSpec atom : atoms) { - highlightAtom(atom.getAtomIndex(), atom.getPdbResNum(), - atom.getChain(), atom.getPdbFile()); + StringBuilder thisAtom = highlightAtom(atom.getAtomIndex(), + atom.getPdbResNum(), atom.getChain(), atom.getPdbFile()); + if (thisAtom != null) + { + if (highlightCommands == null) + { + highlightCommands = thisAtom; + } + else + { + highlightCommands.append(thisAtom); + } + } + } + if (highlightCommands != null) + { + jmolHistory(false); + jmolScript(highlightCommands.toString()); + jmolHistory(true); } + // Highlight distances between atoms with a 'measure' command - not yet + // working + // if (atoms.size() >= 2) + // { + // StringBuilder sb = new StringBuilder(); + // for (int a = 0; a < atoms.size(); a++) + // { + // AtomSpec speca = atoms.get(a); + // String a_model = getModelIdForFile(speca.getPdbFile()); + // for (int b = a + 1; b < atoms.size(); b++) + // { + // AtomSpec specb = atoms.get(b); + // String b_model = getModelIdForFile(speca.getPdbFile()); + // sb.append("measure ALL (" + speca.getAtomIndex() + " and */" + // + a_model + ") (" + specb.getAtomIndex() + " and */" + // + b_model + ");"); + // } + // } + // jmolHistory(false, useScriptWait); + // jmolScript(sb.toString(), useScriptWait); + // jmolHistory(true, useScriptWait); + // } + } + } // jmol/ssm only - public void highlightAtom(int atomIndex, int pdbResNum, String chain, - String pdbfile) + private StringBuilder highlightAtom(int atomIndex, int pdbResNum, + String chain, String pdbfile) { String modelId = getModelIdForFile(pdbfile); if (modelId.isEmpty()) { - return; + return null; } - jmolHistory(false); - StringBuilder selection = new StringBuilder(32); StringBuilder cmd = new StringBuilder(64); selection.append("select ").append(String.valueOf(pdbResNum)); @@ -294,15 +371,20 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel resetLastRes.append(selection).append(";wireframe 0;").append(selection) .append(" and not hetero; spacefill 0;"); - jmolScript(cmd.toString()); - jmolHistory(true); + return cmd; } private boolean debug = true; private void jmolHistory(boolean enable) { - jmolScript("History " + ((debug || enable) ? "on" : "off")); + jmolHistory(enable, false); + } + + private void jmolHistory(boolean enable, boolean useScriptWait) + { + jmolScript("History " + ((debug || enable) ? "on" : "off"), + useScriptWait); } public void loadInline(String string) @@ -402,8 +484,8 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel } /* - * highlight position on alignment(s); if some text is returned, - * show this as a second line on the structure hover tooltip + * highlight position on alignment(s); if some text is returned, show this as a + * second line on the structure hover tooltip */ String label = getSsm().mouseOverStructure(pdbResNum, chainId, pdbfilename); @@ -431,16 +513,17 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel lastMessage = strInfo; if (data != null) { - System.err.println("Ignoring additional hover info: " + data - + " (other info: '" + strInfo + "' pos " + atomIndex + ")"); + jalview.bin.Console.errPrintln( + "Ignoring additional hover info: " + data + " (other info: '" + + strInfo + "' pos " + atomIndex + ")"); } mouseOverStructure(atomIndex, strInfo); } /* * { if (history != null && strStatus != null && - * !strStatus.equals("Script completed")) { history.append("\n" + strStatus); - * } } + * !strStatus.equals("Script completed")) { history.append("\n" + strStatus); } + * } */ public void notifyAtomPicked(int atomIndex, String strInfo, @@ -452,7 +535,8 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel */ if (strData != null) { - System.err.println("Ignoring additional pick data string " + strData); + jalview.bin.Console.errPrintln( + "Ignoring additional pick data string " + strData); } int chainSeparator = strInfo.indexOf(":"); int p = 0; @@ -501,6 +585,28 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel @Override public void notifyCallback(CBK type, Object[] data) { + /* + * ensure processed in AWT thread to avoid risk of deadlocks + */ + SwingUtilities.invokeLater(new Runnable() + { + + @Override + public void run() + { + processCallback(type, data); + } + }); + } + + /** + * Processes one callback notification from Jmol + * + * @param type + * @param data + */ + protected void processCallback(CBK type, Object[] data) + { try { switch (type) @@ -532,7 +638,7 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel (data == null) ? ((String) null) : (String) data[1]); break; case ERROR: - // System.err.println("Ignoring error callback."); + // jalview.bin.Console.errPrintln("Ignoring error callback."); break; case SYNC: case RESIZE: @@ -542,13 +648,14 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel case CLICK: default: - System.err.println( + jalview.bin.Console.errPrintln( "Unhandled callback " + type + " " + data[1].toString()); break; } } catch (Exception e) { - System.err.println("Squashed Jmol callback handler error:"); + jalview.bin.Console + .errPrintln("Squashed Jmol callback handler error:"); e.printStackTrace(); } } @@ -780,8 +887,7 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel public abstract void sendConsoleEcho(String strEcho); /* * { showConsole(true); * - * history.append("\n" + - * strEcho); } + * history.append("\n" + strEcho); } */ // /End JmolStatusListener @@ -798,8 +904,9 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel public void setCallbackFunction(String callbackType, String callbackFunction) { - System.err.println("Ignoring set-callback request to associate " - + callbackType + " with function " + callbackFunction); + jalview.bin.Console + .errPrintln("Ignoring set-callback request to associate " + + callbackType + " with function " + callbackFunction); } @@ -872,7 +979,8 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel String buttonsToShow) { - System.err.println("Allocating Jmol Viewer: " + commandOptions); + jalview.bin.Console + .errPrintln("Allocating Jmol Viewer: " + commandOptions); if (commandOptions == null) { @@ -890,8 +998,9 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel console = createJmolConsole(consolePanel, buttonsToShow); } catch (Throwable e) { - System.err.println("Could not create Jmol application console. " - + e.getMessage()); + jalview.bin.Console + .errPrintln("Could not create Jmol application console. " + + e.getMessage()); e.printStackTrace(); } if (consolePanel != null)