X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fext%2Frbvi%2Fchimera%2FJalviewChimeraBinding.java;h=f511a6551378fc51917ec42552f3a9066953aff8;hb=424c56371cd59181b994d7e3e8e91c4b7ba0b507;hp=4975e3e005cd557767bf4367a49758aa750de6ef;hpb=c9f31322ad542be7fab91e0c9f2ff3638a25c5b1;p=jalview.git
diff --git a/src/jalview/ext/rbvi/chimera/JalviewChimeraBinding.java b/src/jalview/ext/rbvi/chimera/JalviewChimeraBinding.java
index 4975e3e..f511a65 100644
--- a/src/jalview/ext/rbvi/chimera/JalviewChimeraBinding.java
+++ b/src/jalview/ext/rbvi/chimera/JalviewChimeraBinding.java
@@ -1,47 +1,23 @@
-/*
- * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.2)
- * Copyright (C) 2014 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.ext.rbvi.chimera;
import jalview.api.AlignmentViewPanel;
import jalview.api.FeatureRenderer;
import jalview.api.SequenceRenderer;
-import jalview.api.SequenceStructureBinding;
-import jalview.api.StructureSelectionManagerProvider;
+import jalview.bin.Cache;
import jalview.datamodel.AlignmentI;
import jalview.datamodel.ColumnSelection;
import jalview.datamodel.PDBEntry;
import jalview.datamodel.SequenceI;
-import jalview.io.AppletFormatAdapter;
import jalview.schemes.ColourSchemeI;
import jalview.schemes.ResidueProperties;
-import jalview.structure.AtomSpec;
-import jalview.structure.StructureListener;
import jalview.structure.StructureMapping;
+import jalview.structure.StructureMappingcommandSet;
import jalview.structure.StructureSelectionManager;
-import jalview.structures.models.SequenceStructureBindingModel;
+import jalview.structures.models.AAStructureBindingModel;
+import jalview.util.Comparison;
import jalview.util.MessageManager;
import java.awt.Color;
-import java.awt.event.ComponentEvent;
-import java.io.File;
import java.util.ArrayList;
import java.util.HashMap;
import java.util.LinkedHashMap;
@@ -53,11 +29,11 @@ import ext.edu.ucsf.rbvi.strucviz2.ChimeraModel;
import ext.edu.ucsf.rbvi.strucviz2.StructureManager;
import ext.edu.ucsf.rbvi.strucviz2.StructureManager.ModelType;
-public abstract class JalviewChimeraBinding extends
- SequenceStructureBindingModel implements StructureListener,
- SequenceStructureBinding, StructureSelectionManagerProvider
-
+public abstract class JalviewChimeraBinding extends AAStructureBindingModel
{
+
+ private static final boolean debug = false;
+
private static final String PHOSPHORUS = "P";
private static final String ALPHACARBON = "CA";
@@ -66,130 +42,106 @@ public abstract class JalviewChimeraBinding extends
private ChimeraManager viewer;
- /**
+ /*
* set if chimera state is being restored from some source - instructs binding
* not to apply default display style when structure set is updated for first
* time.
*/
private boolean loadingFromArchive = false;
- /**
- * second flag to indicate if the Chimera viewer should ignore sequence
- * colouring events from the structure manager because the GUI is still
- * setting up
+ /*
+ * flag to indicate if the Chimera viewer should ignore sequence colouring
+ * events from the structure manager because the GUI is still setting up
*/
private boolean loadingFinished = true;
- /**
+ /*
* state flag used to check if the Chimera viewer's paint method can be called
*/
private boolean finishedInit = false;
- public boolean isFinishedInit()
- {
- return finishedInit;
- }
-
- public void setFinishedInit(boolean finishedInit)
- {
- this.finishedInit = finishedInit;
- }
-
- boolean allChainsSelected = false;
+ private List atomsPicked = new ArrayList();
- /**
- * when true, try to search the associated datamodel for sequences that are
- * associated with any unknown structures in the Chimera view.
- */
- private boolean associateNewStructs = false;
-
- List atomsPicked = new ArrayList();
-
- public List chainNames;
+ private List chainNames;
private Map chainFile;
- /**
- * array of target chains for sequences - tied to pdbentry and sequence[]
- */
- protected String[][] chains;
-
- boolean colourBySequence = true;
-
- StringBuffer eval = new StringBuffer();
+ private StringBuffer eval = new StringBuffer();
public String fileLoadingError;
- private Map> chimmaps = new LinkedHashMap>();
-
- private List mdlToFile = new ArrayList();
+ /*
+ * Map of ChimeraModel objects keyed by PDB full local file name
+ */
+ private Map> chimeraMaps = new LinkedHashMap>();
- /**
+ /*
* the default or current model displayed if the model cannot be identified
* from the selection message
*/
- int frameNo = 0;
+ private int frameNo = 0;
- String lastCommand;
+ private String lastCommand;
- String lastMessage;
+ private String lastMessage;
- boolean loadedInline;
+ private boolean loadedInline;
+ /**
+ * 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.
+ *
+ * @param pe
+ * @return
+ */
public boolean openFile(PDBEntry pe)
{
String file = pe.getFile();
try
{
+ List modelsToMap = new ArrayList();
List oldList = viewer.getModelList();
- viewer.openModel(file, pe.getId(), ModelType.PDB_MODEL);
- List newList = viewer.getModelList();
- if (oldList.size() < newList.size())
+ boolean alreadyOpen = false;
+
+ /*
+ * If Chimera already has this model, don't reopen it, but do remap it.
+ */
+ for (ChimeraModel open : oldList)
{
- while (oldList.size() > 0)
- {
- oldList.remove(0);
- newList.remove(0);
- }
- chimmaps.put(file, newList);
- for (ChimeraModel cm : newList)
+ if (open.getModelName().equals(pe.getId()))
{
- while (mdlToFile.size() < 1 + cm.getModelNumber())
- {
- mdlToFile.add(new String(""));
- }
- mdlToFile.set(cm.getModelNumber(), file);
+ alreadyOpen = true;
+ modelsToMap.add(open);
}
+ }
- File fl = new File(file);
- String protocol = AppletFormatAdapter.URL;
- try
- {
- if (fl.exists())
- {
- protocol = AppletFormatAdapter.FILE;
- }
- } catch (Exception e)
- {
- } catch (Error e)
- {
- }
- // Explicitly map to the filename used by Chimera ;
- // pdbentry[pe].getFile(), protocol);
+ /*
+ * If Chimera doesn't yet have this model, ask it to open it, and retrieve
+ * the model names added by Chimera.
+ */
+ if (!alreadyOpen)
+ {
+ viewer.openModel(file, pe.getId(), ModelType.PDB_MODEL);
+ modelsToMap = viewer.getModelList();
+ modelsToMap.removeAll(oldList);
+ }
+
+ chimeraMaps.put(file, modelsToMap);
- if (ssm != null)
+ if (getSsm() != null)
+ {
+ getSsm().addStructureViewerListener(this);
+ // ssm.addSelectionListener(this);
+ FeatureRenderer fr = getFeatureRenderer(null);
+ if (fr != null)
{
- ssm.addStructureViewerListener(this);
- // ssm.addSelectionListener(this);
- FeatureRenderer fr = getFeatureRenderer(null);
- if (fr != null)
- {
- fr.featuresAdded();
- }
- refreshGUI();
+ fr.featuresAdded();
}
- return true;
+ refreshGUI();
}
+ return true;
} catch (Exception q)
{
log("Exception when trying to open model " + file + "\n"
@@ -204,46 +156,40 @@ public abstract class JalviewChimeraBinding extends
*/
String[] modelFileNames = null;
- public PDBEntry[] pdbentry;
-
- /**
- * datasource protocol for access to PDBEntrylatest
- */
- String protocol = null;
StringBuffer resetLastRes = new StringBuffer();
- /**
- * sequences mapped to each pdbentry
- */
- public SequenceI[][] sequence;
-
- public StructureSelectionManager ssm;
-
private List lastReply;
+ /**
+ * Constructor
+ *
+ * @param ssm
+ * @param pdbentry
+ * @param sequenceIs
+ * @param chains
+ * @param protocol
+ */
public JalviewChimeraBinding(StructureSelectionManager ssm,
PDBEntry[] pdbentry, SequenceI[][] sequenceIs, String[][] chains,
String protocol)
{
- this.ssm = ssm;
- this.sequence = sequenceIs;
- this.chains = chains;
- this.pdbentry = pdbentry;
- this.protocol = protocol;
- if (chains == null)
- {
- this.chains = new String[pdbentry.length][];
- }
+ super(ssm, pdbentry, sequenceIs, chains, protocol);
viewer = new ChimeraManager(
csm = new ext.edu.ucsf.rbvi.strucviz2.StructureManager(true));
}
+ /**
+ * Constructor
+ *
+ * @param ssm
+ * @param theViewer
+ */
public JalviewChimeraBinding(StructureSelectionManager ssm,
- ChimeraManager viewer2)
+ ChimeraManager theViewer)
{
- this.ssm = ssm;
- viewer = viewer2;
+ super(ssm, null);
+ viewer = theViewer;
csm = viewer.getStructureManager();
}
@@ -256,34 +202,7 @@ public abstract class JalviewChimeraBinding extends
*/
public String getViewerTitle(boolean verbose)
{
- if (sequence == null || pdbentry == null || sequence.length < 1
- || pdbentry.length < 1 || sequence[0].length < 1)
- {
- return ("Jalview Chimera Window");
- }
- // TODO: give a more informative title when multiple structures are
- // displayed.
- StringBuilder title = new StringBuilder(64);
- title.append("Chimera view for " + sequence[0][0].getName() + ":"
- + pdbentry[0].getId());
-
- if (verbose)
- {
- if (pdbentry[0].getProperty() != null)
- {
- if (pdbentry[0].getProperty().get("method") != null)
- {
- title.append(" Method: ");
- title.append(pdbentry[0].getProperty().get("method"));
- }
- if (pdbentry[0].getProperty().get("chains") != null)
- {
- title.append(" Chain:");
- title.append(pdbentry[0].getProperty().get("chains"));
- }
- }
- }
- return title.toString();
+ return getViewerTitle("Chimera", verbose);
}
/**
@@ -319,12 +238,12 @@ public abstract class JalviewChimeraBinding extends
}
/**
- * Close down the Jalview viewer, and (optionally) the associate Chimera
+ * Close down the Jalview viewer, and (optionally) the associated Chimera
* window.
*/
public void closeViewer(boolean closeChimera)
{
- ssm.removeStructureViewerListener(this, this.getPdbFile());
+ getSsm().removeStructureViewerListener(this, this.getPdbFile());
if (closeChimera)
{
viewer.exitChimera();
@@ -334,12 +253,6 @@ public abstract class JalviewChimeraBinding extends
releaseUIResources();
}
- /**
- * called by JalviewChimerabinding after closeViewer is called - release any
- * resources and references so they can be garbage collected.
- */
- protected abstract void releaseUIResources();
-
public void colourByChain()
{
colourBySequence = false;
@@ -413,7 +326,7 @@ public abstract class JalviewChimeraBinding extends
{
// HACK - in Jalview 2.8 this call may not be threadsafe so we catch
// every possible exception
- StructureMapping[] sm = ssm.getMapping(file);
+ StructureMapping[] sm = getSsm().getMapping(file);
if (sm == null || sm.length == 0)
{
waiting = true;
@@ -475,7 +388,7 @@ public abstract class JalviewChimeraBinding extends
String[] atomSpec = new String[files.length];
for (int pdbfnum = 0; pdbfnum < files.length; pdbfnum++)
{
- StructureMapping[] mapping = ssm.getMapping(files[pdbfnum]);
+ StructureMapping[] mapping = getSsm().getMapping(files[pdbfnum]);
// RACE CONDITION - getMapping only returns Jmol loaded filenames once
// Jmol callback has completed.
if (mapping == null || mapping.length < 1)
@@ -483,12 +396,14 @@ public abstract class JalviewChimeraBinding extends
throw new Error(MessageManager.getString("error.implementation_error_chimera_getting_data"));
}
int lastPos = -1;
- for (int s = 0; s < sequence[pdbfnum].length; s++)
+ final int seqCountForPdbFile = getSequence()[pdbfnum].length;
+ for (int s = 0; s < seqCountForPdbFile; s++)
{
for (int sp, m = 0; m < mapping.length; m++)
{
- if (mapping[m].getSequence() == sequence[pdbfnum][s]
- && (sp = alignment.findIndex(sequence[pdbfnum][s])) > -1)
+ final SequenceI theSequence = getSequence()[pdbfnum][s];
+ if (mapping[m].getSequence() == theSequence
+ && (sp = alignment.findIndex(theSequence)) > -1)
{
if (refStructure == -1)
{
@@ -507,7 +422,7 @@ public abstract class JalviewChimeraBinding extends
continue;
}
- if (jalview.util.Comparison.isGap(asp.getCharAt(r)))
+ if (Comparison.isGap(asp.getCharAt(r)))
{
// no mapping to gaps in sequence
continue;
@@ -541,7 +456,7 @@ public abstract class JalviewChimeraBinding extends
+ targetC[pdbfnum];
atomSpec[pdbfnum] = asp.getRNA() != null ? PHOSPHORUS : ALPHACARBON;
// move on to next pdb file
- s = sequence[pdbfnum].length;
+ s = seqCountForPdbFile;
break;
}
}
@@ -654,10 +569,12 @@ public abstract class JalviewChimeraBinding extends
}
if (selectioncom.length() > 0)
{
- // TODO remove debug output
- System.out.println("Select regions:\n" + selectioncom.toString());
- System.out
- .println("Superimpose command(s):\n" + command.toString());
+ if (debug)
+ {
+ System.out.println("Select regions:\n" + selectioncom.toString());
+ System.out.println("Superimpose command(s):\n"
+ + command.toString());
+ }
allComs.append("~display all; chain @CA|P; ribbon "
+ selectioncom.toString() + ";"+command.toString());
// selcom.append("; ribbons; ");
@@ -669,7 +586,10 @@ public abstract class JalviewChimeraBinding extends
{
selectioncom.setLength(selectioncom.length() - 1);
}
- System.out.println("Select regions:\n" + selectioncom.toString());
+ if (debug)
+ {
+ System.out.println("Select regions:\n" + selectioncom.toString());
+ }
allComs.append("; ~display all; chain @CA|P; ribbon "
+ selectioncom.toString() + "; focus");
// evalStateCommand("select *; backbone; select "+selcom.toString()+"; cartoons; center "+selcom.toString());
@@ -682,7 +602,7 @@ public abstract class JalviewChimeraBinding extends
{
if (!viewer.isChimeraLaunched())
{
- viewer.launchChimera(csm.getChimeraPaths());
+ viewer.launchChimera(StructureManager.getChimeraPaths());
}
if (!viewer.isChimeraLaunched())
{
@@ -702,7 +622,8 @@ public abstract class JalviewChimeraBinding extends
}
/**
- * Send a command to Chimera, and optionally log any responses.
+ * Send a command to Chimera, launching it first if necessary, and optionally
+ * log any responses.
*
* @param command
* @param logResponse
@@ -713,28 +634,12 @@ public abstract class JalviewChimeraBinding extends
checkLaunched();
if (lastCommand == null || !lastCommand.equals(command))
{
-// Thread t = new Thread(new Runnable()
-// {
-// @Override
-// public void run()
-// {
// trim command or it may never find a match in the replyLog!!
lastReply = viewer.sendChimeraCommand(command.trim(), logResponse);
if (debug && logResponse)
- {
- log("Response from command ('" + command + "') was:\n"
- + lastReply);
- }
-// }
-// });
- // TODO - use j7/8 thread management
-// try
-// {
-// t.join();
-// } catch (InterruptedException foo)
-// {
-// }
-// ;
+ {
+ log("Response from command ('" + command + "') was:\n" + lastReply);
+ }
}
viewerCommandHistory(true);
lastCommand = command;
@@ -752,7 +657,7 @@ public abstract class JalviewChimeraBinding extends
{
return;
}
- if (ssm == null)
+ if (getSsm() == null)
{
return;
}
@@ -767,19 +672,41 @@ public abstract class JalviewChimeraBinding extends
}
AlignmentI alignment = alignmentv.getAlignment();
- for (jalview.structure.StructureMappingcommandSet cpdbbyseq : ChimeraCommands
- .getColourBySequenceCommand(ssm, files, sequence, sr, fr,
- alignment))
+ for (jalview.structure.StructureMappingcommandSet cpdbbyseq : getColourBySequenceCommands(
+ files, sr, fr, alignment))
{
- for (String cbyseq : cpdbbyseq.commands)
+ for (String command : cpdbbyseq.commands)
{
- waitForChimera();
- evalStateCommand(cbyseq, false);
- waitForChimera();
+ executeWhenReady(command);
}
}
}
+ /**
+ * @param files
+ * @param sr
+ * @param fr
+ * @param alignment
+ * @return
+ */
+ protected StructureMappingcommandSet[] getColourBySequenceCommands(
+ String[] files, SequenceRenderer sr, FeatureRenderer fr,
+ AlignmentI alignment)
+ {
+ return ChimeraCommands.getColourBySequenceCommand(getSsm(), files,
+ getSequence(), sr, fr, alignment);
+ }
+
+ /**
+ * @param command
+ */
+ protected void executeWhenReady(String command)
+ {
+ waitForChimera();
+ evalStateCommand(command, false);
+ waitForChimera();
+ }
+
private void waitForChimera()
{
while (viewer != null && viewer.isBusy())
@@ -791,30 +718,11 @@ public abstract class JalviewChimeraBinding extends
}
}
- public boolean isColourBySequence()
- {
- return colourBySequence;
- }
- public void setColourBySequence(boolean colourBySequence)
- {
- this.colourBySequence = colourBySequence;
- }
// End StructureListener
// //////////////////////////
- public float[][] functionXY(String functionName, int x, int y)
- {
- return null;
- }
-
- public float[][][] functionXYZ(String functionName, int nx, int ny, int nz)
- {
- // TODO Auto-generated method stub
- return null;
- }
-
public Color getColour(int atomIndex, int pdbResNum, String chain,
String pdbfile)
{
@@ -889,8 +797,8 @@ public abstract class JalviewChimeraBinding extends
// // System.arraycopy(mset, 0, modelFileNames, 0, j);
// }
- return chimmaps.keySet().toArray(
- modelFileNames = new String[chimmaps.size()]);
+ return chimeraMaps.keySet().toArray(
+ modelFileNames = new String[chimeraMaps.size()]);
}
/**
@@ -913,61 +821,47 @@ public abstract class JalviewChimeraBinding extends
public abstract SequenceRenderer getSequenceRenderer(
AlignmentViewPanel alignment);
- /**
- * Highlight the specified atom positions in the structure.
- *
- * @param atomIndex
- * @param pdbResNum
- * @param chain
- * @param pdbfile
- */
- @Override
- public void highlightAtoms(List atoms)
+ // jmol/ssm only
+ public void highlightAtom(int atomIndex, int pdbResNum, String chain,
+ String pdbfile)
{
- for (AtomSpec atom : atoms)
+ List cms = chimeraMaps.get(pdbfile);
+ if (cms != null)
{
- int pdbResNum = atom.getPdbResNum();
- String chain = atom.getChain();
- List cms = chimmaps.get(atom.getPdbId());
- if (cms != null)
- {
- int mdlNum = cms.get(0).getModelNumber();
-
- viewerCommandHistory(false);
- // viewer.stopListening();
- if (resetLastRes.length() > 0)
- {
- eval.setLength(0);
- eval.append(resetLastRes.toString() + ";");
- }
+ int mdlNum = cms.get(0).getModelNumber();
- eval.append("display "); // +modelNum
+ viewerCommandHistory(false);
+ // viewer.stopListening();
+ if (resetLastRes.length() > 0)
+ {
+ eval.setLength(0);
+ eval.append(resetLastRes.toString() + ";");
+ }
- resetLastRes.setLength(0);
- resetLastRes.append("~display ");
- {
- eval.append(" #" + (mdlNum));
- resetLastRes.append(" #" + (mdlNum));
- }
- // complete select string
+ eval.append("display "); // +modelNum
- eval.append(":" + pdbResNum);
- resetLastRes.append(":" + pdbResNum);
- if (!chain.equals(" "))
- {
- eval.append("." + chain);
- resetLastRes.append("." + chain);
- }
+ resetLastRes.setLength(0);
+ resetLastRes.append("~display ");
+ {
+ eval.append(" #" + (mdlNum));
+ resetLastRes.append(" #" + (mdlNum));
+ }
+ // complete select string
- viewer.sendChimeraCommand(eval.toString(), false);
- viewerCommandHistory(true);
- // viewer.startListening();
+ eval.append(":" + pdbResNum);
+ resetLastRes.append(":" + pdbResNum);
+ if (!chain.equals(" "))
+ {
+ eval.append("." + chain);
+ resetLastRes.append("." + chain);
}
+
+ viewer.sendChimeraCommand(eval.toString(), false);
+ viewerCommandHistory(true);
+ // viewer.startListening();
}
}
- boolean debug = false;
-
private void log(String message)
{
System.err.println("## Chimera log: " + message);
@@ -1069,7 +963,7 @@ public abstract class JalviewChimeraBinding extends
}
if (lastMessage == null || !lastMessage.equals(strInfo))
{
- ssm.mouseOverStructure(pdbResNum, chainId, pdbfilename);
+ getSsm().mouseOverStructure(pdbResNum, chainId, pdbfilename);
}
lastMessage = strInfo;
@@ -1194,13 +1088,13 @@ public abstract class JalviewChimeraBinding extends
}
// deregister the Jmol instance for these structures - we'll add
// ourselves again at the end for the current structure set.
- ssm.removeStructureViewerListener(this, oldmfn);
+ getSsm().removeStructureViewerListener(this, oldmfn);
}
}
// register ourselves as a listener and notify the gui that it needs to
// update itself.
- ssm.addStructureViewerListener(this);
+ getSsm().addStructureViewerListener(this);
if (notifyLoaded)
{
@@ -1257,24 +1151,6 @@ public abstract class JalviewChimeraBinding extends
*/
public abstract void refreshGUI();
- public void componentResized(ComponentEvent e)
- {
-
- }
-
- public void componentMoved(ComponentEvent e)
- {
-
- }
-
- public void componentShown(ComponentEvent e)
- {
- }
-
- public void componentHidden(ComponentEvent e)
- {
- }
-
public void setLoadingFromArchive(boolean loadingFromArchive)
{
this.loadingFromArchive = loadingFromArchive;
@@ -1321,154 +1197,69 @@ public abstract class JalviewChimeraBinding extends
}
/**
- * add structures and any known sequence associations
*
- * @returns the pdb entries added to the current set.
+ * @param pdbfile
+ * @return text report of alignment between pdbfile and any associated
+ * alignment sequences
+ */
+ public String printMapping(String pdbfile)
+ {
+ return getSsm().printMapping(pdbfile);
+ }
+
+ /**
+ * Ask Chimera to save its session to the given file. Returns true if
+ * successful, else false.
+ *
+ * @param filepath
+ * @return
*/
- public synchronized PDBEntry[] addSequenceAndChain(PDBEntry[] pdbe,
- SequenceI[][] seq, String[][] chns)
+ public boolean saveSession(String filepath)
{
- List v = new ArrayList();
- List rtn = new ArrayList();
- for (int i = 0; i < pdbentry.length; i++)
- {
- v.add(pdbentry[i]);
- }
- for (int i = 0; i < pdbe.length; i++)
+ if (isChimeraRunning())
{
- int r = v.indexOf(pdbe[i]);
- if (r == -1 || r >= pdbentry.length)
+ List reply = viewer.sendChimeraCommand("save " + filepath,
+ true);
+ if (reply.contains("Session written"))
{
- rtn.add(new int[]
- { v.size(), i });
- v.add(pdbe[i]);
+ return true;
}
else
{
- // just make sure the sequence/chain entries are all up to date
- addSequenceAndChain(r, seq[i], chns[i]);
- }
- }
- pdbe = v.toArray(new PDBEntry[v.size()]);
- pdbentry = pdbe;
- if (rtn.size() > 0)
- {
- // expand the tied sequence[] and string[] arrays
- SequenceI[][] sqs = new SequenceI[pdbentry.length][];
- String[][] sch = new String[pdbentry.length][];
- System.arraycopy(sequence, 0, sqs, 0, sequence.length);
- System.arraycopy(chains, 0, sch, 0, this.chains.length);
- sequence = sqs;
- chains = sch;
- pdbe = new PDBEntry[rtn.size()];
- for (int r = 0; r < pdbe.length; r++)
- {
- int[] stri = (rtn.get(r));
- // record the pdb file as a new addition
- pdbe[r] = pdbentry[stri[0]];
- // and add the new sequence/chain entries
- addSequenceAndChain(stri[0], seq[stri[1]], chns[stri[1]]);
+ Cache.log
+ .error("Error saving Chimera session: " + reply.toString());
}
}
- else
- {
- pdbe = null;
- }
- return pdbe;
+ return false;
}
/**
- * Adds sequences to the pe'th pdbentry's sequence set.
+ * Ask Chimera to open a session file. Returns true if successful, else false.
+ * The filename must have a .py extension for this command to work.
*
- * @param pe
- * @param seq
+ * @param filepath
+ * @return
*/
- public void addSequence(int pe, SequenceI[] seq)
+ public boolean openSession(String filepath)
{
- addSequenceAndChain(pe, seq, null);
+ evalStateCommand("open " + filepath, true);
+ // todo: test for failure - how?
+ return true;
}
- private void addSequenceAndChain(int pe, SequenceI[] seq, String[] tchain)
+ public boolean isFinishedInit()
{
- if (pe < 0 || pe >= pdbentry.length)
- {
- throw new Error(MessageManager.formatMessage(
- "error.implementation_error_no_pdbentry_from_index",
- new Object[]
- { Integer.valueOf(pe).toString() }));
- }
- final String nullChain = "TheNullChain";
- List s = new ArrayList();
- List c = new ArrayList();
- if (chains == null)
- {
- chains = new String[pdbentry.length][];
- }
- if (sequence[pe] != null)
- {
- for (int i = 0; i < sequence[pe].length; i++)
- {
- s.add(sequence[pe][i]);
- if (chains[pe] != null)
- {
- if (i < chains[pe].length)
- {
- c.add(chains[pe][i]);
- }
- else
- {
- c.add(nullChain);
- }
- }
- else
- {
- if (tchain != null && tchain.length > 0)
- {
- c.add(nullChain);
- }
- }
- }
- }
- for (int i = 0; i < seq.length; i++)
- {
- if (!s.contains(seq[i]))
- {
- s.add(seq[i]);
- if (tchain != null && i < tchain.length)
- {
- c.add(tchain[i] == null ? nullChain : tchain[i]);
- }
- }
- }
- SequenceI[] tmp = s.toArray(new SequenceI[s.size()]);
- sequence[pe] = tmp;
- if (c.size() > 0)
- {
- String[] tch = c.toArray(new String[c.size()]);
- for (int i = 0; i < tch.length; i++)
- {
- if (tch[i] == nullChain)
- {
- tch[i] = null;
- }
- }
- chains[pe] = tch;
- }
- else
- {
- chains[pe] = null;
- }
+ return finishedInit;
}
- /**
- *
- * @param pdbfile
- * @return text report of alignment between pdbfile and any associated
- * alignment sequences
- */
- public String printMapping(String pdbfile)
+ public void setFinishedInit(boolean finishedInit)
+ {
+ this.finishedInit = finishedInit;
+ }
+
+ public List getChainNames()
{
- return ssm.printMapping(pdbfile);
+ return chainNames;
}
-}
+}
\ No newline at end of file