import java.net.BindException;
import java.util.ArrayList;
import java.util.Collections;
-import java.util.Iterator;
import java.util.LinkedHashMap;
import java.util.List;
import java.util.Map;
import ext.edu.ucsf.rbvi.strucviz2.StructureManager;
import ext.edu.ucsf.rbvi.strucviz2.StructureManager.ModelType;
import jalview.api.AlignmentViewPanel;
-import jalview.api.structures.JalviewStructureDisplayI;
-import jalview.bin.Cache;
-import jalview.datamodel.AlignmentI;
+import jalview.bin.Console;
import jalview.datamodel.PDBEntry;
import jalview.datamodel.SearchResultMatchI;
import jalview.datamodel.SearchResultsI;
String lastHighlightCommand;
- private Thread chimeraMonitor;
+ /**
+ * Returns a model of the structure positions described by the Chimera format
+ * atomspec
+ *
+ * @param atomSpec
+ * @return
+ */
+ protected AtomSpec parseAtomSpec(String atomSpec)
+ {
+ return AtomSpec.fromChimeraAtomspec(atomSpec);
+ }
/**
* Open a PDB structure file in Chimera and set up mappings from Jalview.
*
- * We check if the PDB model id is already loaded in Chimera, if so don't reopen
- * it. This is the case if Chimera has opened a saved session file.
+ * We check if the PDB model id is already loaded in Chimera, if so don't
+ * reopen it. This is the case if Chimera has opened a saved session file.
*
* @param pe
* @return
DataSourceType protocol)
{
super(ssm, pdbentry, sequenceIs, protocol);
- chimeraManager = new ChimeraManager(new StructureManager(true));
- chimeraManager.setChimeraX(ViewerType.CHIMERAX.equals(getViewerType()));
- setStructureCommands(new ChimeraCommands());
+ boolean chimeraX = ViewerType.CHIMERAX.equals(getViewerType());
+ chimeraManager = chimeraX
+ ? new ChimeraXManager(new StructureManager(true))
+ : new ChimeraManager(new StructureManager(true));
+ setStructureCommands(
+ chimeraX ? new ChimeraXCommands() : new ChimeraCommands());
}
@Override
}
/**
- * Starts a thread that waits for the Chimera process to finish, so that we can
- * then close the associated resources. This avoids leaving orphaned Chimera
- * viewer panels in Jalview if the user closes Chimera.
- */
- protected void startChimeraProcessMonitor()
- {
- final Process p = chimeraManager.getChimeraProcess();
- chimeraMonitor = new Thread(new Runnable()
- {
-
- @Override
- public void run()
- {
- try
- {
- p.waitFor();
- JalviewStructureDisplayI display = getViewer();
- if (display != null)
- {
- display.closeViewer(false);
- }
- } catch (InterruptedException e)
- {
- // exit thread if Chimera Viewer is closed in Jalview
- }
- }
- });
- chimeraMonitor.start();
- }
-
- /**
- * Start a dedicated HttpServer to listen for Chimera notifications, and tell it
- * to start listening
+ * Start a dedicated HttpServer to listen for Chimera notifications, and tell
+ * it to start listening
*/
public void startChimeraListener()
{
try
{
chimeraListener = new ChimeraListener(this);
- chimeraManager.startListening(chimeraListener.getUri());
+ startListening(chimeraListener.getUri());
} catch (BindException e)
{
- System.err.println(
+ jalview.bin.Console.errPrintln(
"Failed to start Chimera listener: " + e.getMessage());
}
}
public void closeViewer(boolean closeChimera)
{
super.closeViewer(closeChimera);
- if (closeChimera)
- {
- chimeraManager.exitChimera();
- }
if (this.chimeraListener != null)
{
chimeraListener.shutdown();
chimeraListener = null;
}
- chimeraManager = null;
- if (chimeraMonitor != null)
+ /*
+ * the following call is added to avoid a stack trace error in Chimera
+ * after "stop really" is sent; Chimera > 1.14 will not need it; see also
+ * http://plato.cgl.ucsf.edu/trac/chimera/ticket/17597
+ */
+ if (closeChimera && (getViewerType() == ViewerType.CHIMERA))
{
- chimeraMonitor.interrupt();
+ chimeraManager.getChimeraProcess().destroy();
}
+
+ chimeraManager.clearOnChimeraExit();
+ chimeraManager = null;
}
/**
boolean launched = chimeraManager.launchChimera(getChimeraPaths());
if (launched)
{
- startChimeraProcessMonitor();
+ startExternalViewerMonitor(chimeraManager.getChimeraProcess());
}
else
{
@Override
public boolean isViewerRunning()
{
- return chimeraManager.isChimeraLaunched();
+ return chimeraManager != null && chimeraManager.isChimeraLaunched();
}
/**
List<String> reply = null;
// trim command or it may never find a match in the replyLog!!
String cmd = command.getCommand().trim();
- List<String> lastReply = chimeraManager
- .sendChimeraCommand(cmd, getResponse);
+ List<String> lastReply = chimeraManager.sendChimeraCommand(cmd,
+ getResponse);
if (getResponse)
{
reply = lastReply;
- Cache.log.debug(
- "Response from command ('" + cmd + "') was:\n" + lastReply);
+ if (Console.isDebugEnabled())
+ {
+ Console.debug(
+ "Response from command ('" + cmd + "') was:\n" + lastReply);
+ }
+ }
+ else
+ {
+ if (Console.isDebugEnabled())
+ {
+ Console.debug("Command executed: " + cmd);
+ }
}
return reply;
}
/**
- * Construct and send a command to highlight zero, one or more atoms. We do this
- * by sending an "rlabel" command to show the residue label at that position.
+ * Construct and send a command to highlight zero, one or more atoms. We do
+ * this by sending an "rlabel" command to show the residue label at that
+ * position.
*/
@Override
public void highlightAtoms(List<AtomSpec> atoms)
first = false;
if (forChimeraX)
{
- cmd.append(cms.get(0).getModelNumber())
- .append("/").append(chain).append(":").append(pdbResNum);
+ cmd.append(cms.get(0).getModelNumber()).append("/").append(chain)
+ .append(":").append(pdbResNum);
}
else
{
- cmd.append(cms.get(0).getModelNumber())
- .append(":").append(pdbResNum);
+ cmd.append(cms.get(0).getModelNumber()).append(":")
+ .append(pdbResNum);
if (!chain.equals(" ") && !forChimeraX)
{
cmd.append(".").append(chain);
{
return;
}
-
+ if (!found)
+ {
+ // not a valid residue label command, so clear
+ cmd.setLength(0);
+ }
/*
- * unshow the label for the previous residue
+ * prepend with command
+ * to unshow the label for the previous residue
*/
if (lastHighlightCommand != null)
{
- chimeraManager.sendChimeraCommand("~" + lastHighlightCommand, false);
+ cmd.insert(0, ";");
+ cmd.insert(0, lastHighlightCommand);
+ cmd.insert(0, "~");
+
+ }
+ if (cmd.length() > 0)
+ {
+ executeCommand(true, null, new StructureCommand(cmd.toString()));
}
+
if (found)
{
- chimeraManager.sendChimeraCommand(command, false);
+ this.lastHighlightCommand = command;
}
- this.lastHighlightCommand = command;
}
/**
/*
* Ask Chimera for its current selection
*/
- List<String> selection = chimeraManager.getSelectedResidueSpecs();
+ StructureCommandI command = getCommandGenerator().getSelectedResidues();
- /*
- * Parse model number, residue and chain for each selected position,
- * formatted as #0:123.A or #1.2:87.B (#model.submodel:residue.chain)
- */
- List<AtomSpec> atomSpecs = convertStructureResiduesToAlignment(
- selection);
+ Runnable action = new Runnable()
+ {
+ @Override
+ public void run()
+ {
+ List<String> chimeraReply = executeCommand(command, true);
- /*
- * Broadcast the selection (which may be empty, if the user just cleared all
- * selections)
- */
- getSsm().mouseOverStructure(atomSpecs);
+ List<String> selectedResidues = new ArrayList<>();
+ if (chimeraReply != null)
+ {
+ /*
+ * expect 0, 1 or more lines of the format either
+ * Chimera:
+ * residue id #0:43.A type GLY
+ * ChimeraX:
+ * residue id /A:89 name THR index 88
+ * We are only interested in the atomspec (third token of the reply)
+ */
+ for (String inputLine : chimeraReply)
+ {
+ String[] inputLineParts = inputLine.split("\\s+");
+ if (inputLineParts.length >= 5)
+ {
+ selectedResidues.add(inputLineParts[2]);
+ }
+ }
+ }
+
+ /*
+ * Parse model number, residue and chain for each selected position,
+ * formatted as #0:123.A or #1.2:87.B (#model.submodel:residue.chain)
+ */
+ List<AtomSpec> atomSpecs = convertStructureResiduesToAlignment(
+ selectedResidues);
+
+ /*
+ * Broadcast the selection (which may be empty, if the user just cleared all
+ * selections)
+ */
+ getSsm().mouseOverStructure(atomSpecs);
+
+ }
+ };
+ new Thread(action).start();
}
/**
- * Converts a list of Chimera atomspecs to a list of AtomSpec representing the
- * corresponding residues (if any) in Jalview
+ * Converts a list of Chimera(X) atomspecs to a list of AtomSpec representing
+ * the corresponding residues (if any) in Jalview
*
* @param structureSelection
* @return
protected List<AtomSpec> convertStructureResiduesToAlignment(
List<String> structureSelection)
{
- boolean chimeraX = chimeraManager.isChimeraX();
List<AtomSpec> atomSpecs = new ArrayList<>();
for (String atomSpec : structureSelection)
{
try
{
- AtomSpec spec = AtomSpec.fromChimeraAtomspec(atomSpec, chimeraX);
+ AtomSpec spec = parseAtomSpec(atomSpec);
String pdbfilename = getPdbFileForModel(spec.getModelNumber());
spec.setPdbFile(pdbfilename);
atomSpecs.add(spec);
} catch (IllegalArgumentException e)
{
- System.err.println("Failed to parse atomspec: " + atomSpec);
+ Console.error("Failed to parse atomspec: " + atomSpec);
}
}
return atomSpecs;
private void log(String message)
{
- System.err.println("## Chimera log: " + message);
- }
-
- /**
- * Ask Chimera to open a session file. Returns true if successful, else false.
- * The filename must have a .py (Chimera) or .cxs (ChimeraX) extension for
- * this command to work.
- *
- * @param filepath
- * @return
- */
- public boolean openSession(String filepath)
- {
- /*
- * Chimera: https://www.cgl.ucsf.edu/chimera/current/docs/UsersGuide/midas/open.html
- * ChimeraX: https://www.cgl.ucsf.edu/chimerax/docs/user/commands/open.html
- */
- executeCommand(getCommandGenerator().loadFile(filepath), true);
- // todo: test for failure - how?
- return true;
- }
-
- /**
- * Send a 'show' command for all atoms in the currently selected columns
- *
- * TODO: pull up to abstract structure viewer interface
- *
- * @param vp
- */
- public void highlightSelection(AlignmentViewPanel vp)
- {
- List<Integer> cols = vp.getAlignViewport().getColumnSelection()
- .getSelected();
- AlignmentI alignment = vp.getAlignment();
- StructureSelectionManager sm = getSsm();
- for (SequenceI seq : alignment.getSequences())
- {
- /*
- * convert selected columns into sequence positions
- */
- int[] positions = new int[cols.size()];
- int i = 0;
- for (Integer col : cols)
- {
- positions[i++] = seq.findPosition(col);
- }
- sm.highlightStructure(this, seq, positions);
- }
+ jalview.bin.Console.errPrintln("## Chimera log: " + message);
}
/**
}
else
{
- for (StructureCommandI command : commands)
- {
- sendAsynchronousCommand(command, null);
- }
+ executeCommands(commands, false, null);
}
return commands.size();
}
/**
- * Write commands to a temporary file, and send a command to Chimera to open the
- * file as a commands script. For use when sending a large number of separate
- * commands would overload the REST interface mechanism.
+ * Write commands to a temporary file, and send a command to Chimera to open
+ * the file as a commands script. For use when sending a large number of
+ * separate commands would overload the REST interface mechanism.
*
* @param commands
*/
String path = tmp.getAbsolutePath();
StructureCommandI command = getCommandGenerator()
.openCommandFile(path);
- sendAsynchronousCommand(command, null);
+ executeCommand(false, null, command);
} catch (IOException e)
{
- System.err.println("Sending commands to Chimera via file failed with "
- + e.getMessage());
+ jalview.bin.Console.errPrintln(
+ "Sending commands to Chimera via file failed with "
+ + e.getMessage());
}
}
/**
* Returns the file extension required for a file of commands to be read by
* the structure viewer
+ *
* @return
*/
protected String getCommandFileExtension()
}
/**
- * Get Chimera residues which have the named attribute, find the mapped
- * positions in the Jalview sequence(s), and set as sequence features
- *
- * @param attName
- * @param alignmentPanel
- */
- public void copyStructureAttributesToFeatures(String attName,
- AlignmentViewPanel alignmentPanel)
- {
- // todo pull up to AAStructureBindingModel (and interface?)
-
- /*
- * ask Chimera to list residues with the attribute, reporting its value
- */
- // this alternative command
- // list residues spec ':*/attName' attr attName
- // doesn't report 'None' values (which is good), but
- // fails for 'average.bfactor' (which is bad):
-
- String cmd = "list residues attr '" + attName + "'";
- List<String> residues = executeCommand(new StructureCommand(cmd), true);
-
- boolean featureAdded = createFeaturesForAttributes(attName, residues);
- if (featureAdded)
- {
- alignmentPanel.getFeatureRenderer().featuresAdded();
- }
- }
-
- /**
* Create features in Jalview for the given attribute name and structure
* residues.
*
*
* @param attName
* @param residues
- * @return
+ * @return the number of features added
*/
- protected boolean createFeaturesForAttributes(String attName,
+ protected int createFeaturesForAttributes(String attName,
List<String> residues)
{
- boolean featureAdded = false;
+ int featuresAdded = 0;
String featureGroup = getViewerFeatureGroup();
- boolean chimeraX = chimeraManager.isChimeraX();
for (String residue : residues)
{
try
{
- spec = AtomSpec.fromChimeraAtomspec(atomSpec, chimeraX);
+ spec = parseAtomSpec(atomSpec);
} catch (IllegalArgumentException e)
{
- System.err.println("Problem parsing atomspec " + atomSpec);
+ Console.error("Problem parsing atomspec " + atomSpec);
continue;
}
start, end, score, featureGroup);
// todo: should SequenceFeature have an explicit property for chain?
// note: repeating the action shouldn't duplicate features
- featureAdded |= seq.addSequenceFeature(sf);
+ if (seq.addSequenceFeature(sf))
+ {
+ featuresAdded++;
+ }
}
}
- return featureAdded;
+ return featuresAdded;
}
/**
*/
public List<String> getChimeraAttributes()
{
- List<String> atts = chimeraManager.getAttrList();
- Iterator<String> it = atts.iterator();
- while (it.hasNext())
+ List<String> attributes = new ArrayList<>();
+ StructureCommandI command = getCommandGenerator()
+ .listResidueAttributes();
+ final List<String> reply = executeCommand(command, true);
+ if (reply != null)
{
- if (it.next().startsWith(ChimeraCommands.NAMESPACE_PREFIX))
+ for (String inputLine : reply)
{
- /*
- * attribute added from Jalview - exclude it
- */
- it.remove();
+ String[] lineParts = inputLine.split("\\s");
+ if (lineParts.length == 2 && lineParts[0].equals("resattr"))
+ {
+ String attName = lineParts[1];
+ /*
+ * exclude attributes added from Jalview
+ */
+ if (!attName.startsWith(ChimeraCommands.NAMESPACE_PREFIX))
+ {
+ attributes.add(attName);
+ }
+ }
}
}
- return atts;
+ return attributes;
}
/**
git://source.jalview.org / jalview.git / blobdiff